smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccnn1C ZINC000096476603 533885421 /nfs/dbraw/zinc/88/54/21/533885421.db2.gz XXCNIOHHYTTZGR-SNVBAGLBSA-N 1 1 279.771 2.933 50 0 CFAAMO COc1ccccc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000097819684 534005669 /nfs/dbraw/zinc/00/56/69/534005669.db2.gz BFTHDWCXXBWRHA-UHFFFAOYSA-N 1 1 271.364 2.798 50 0 CFAAMO COc1ccccc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000097819684 534005683 /nfs/dbraw/zinc/00/56/83/534005683.db2.gz BFTHDWCXXBWRHA-UHFFFAOYSA-N 1 1 271.364 2.798 50 0 CFAAMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000096443925 534035224 /nfs/dbraw/zinc/03/52/24/534035224.db2.gz IRBVDAURLUNLRJ-CYBMUJFWSA-N 1 1 288.391 2.756 50 0 CFAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000096441616 534110984 /nfs/dbraw/zinc/11/09/84/534110984.db2.gz DDVOAZYJRPWPPT-KGLIPLIRSA-N 1 1 250.411 2.840 50 0 CFAAMO CS[C@H]1CC[C@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000096441617 534115682 /nfs/dbraw/zinc/11/56/82/534115682.db2.gz DDVOAZYJRPWPPT-KBPBESRZSA-N 1 1 250.411 2.840 50 0 CFAAMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338625955 519029510 /nfs/dbraw/zinc/02/95/10/519029510.db2.gz PFJARZVGLMGEHD-INIZCTEOSA-N 1 1 265.372 2.890 50 0 CFAAMO CC(C)(C)c1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338625958 519029962 /nfs/dbraw/zinc/02/99/62/519029962.db2.gz PFJARZVGLMGEHD-MRXNPFEDSA-N 1 1 265.372 2.890 50 0 CFAAMO CC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000004991310 521370616 /nfs/dbraw/zinc/37/06/16/521370616.db2.gz NLFDCJIOQNLUBO-QGZVFWFLSA-N 1 1 285.387 2.948 50 0 CFAAMO CC(C)(C)OCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000096490445 526552634 /nfs/dbraw/zinc/55/26/34/526552634.db2.gz VZOBOOHWNAIGRE-CYBMUJFWSA-N 1 1 292.427 2.608 50 0 CFAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nc(CC2CC2)no1 ZINC000158508827 527334203 /nfs/dbraw/zinc/33/42/03/527334203.db2.gz NVYYTVYOZOGKOB-ZDUSSCGKSA-N 1 1 282.347 2.746 50 0 CFAAMO CCCc1nnc(SCC[C@@H]2CCCC[N@H+]2C)o1 ZINC000122200803 528778425 /nfs/dbraw/zinc/77/84/25/528778425.db2.gz DMURPJSHKXBELN-NSHDSACASA-N 1 1 269.414 2.989 50 0 CFAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(F)ccc1C ZINC000179978174 528877021 /nfs/dbraw/zinc/87/70/21/528877021.db2.gz ZBMWIAJBBOKFOA-UHFFFAOYSA-N 1 1 261.344 2.890 50 0 CFAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441708 529221231 /nfs/dbraw/zinc/22/12/31/529221231.db2.gz FRGPVYIMSYSRLH-NWDGAFQWSA-N 1 1 297.424 2.528 50 0 CFAAMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441709 529234530 /nfs/dbraw/zinc/23/45/30/529234530.db2.gz FRGPVYIMSYSRLH-RYUDHWBXSA-N 1 1 297.424 2.528 50 0 CFAAMO CCC1=NO[C@H](C[N@H+](C)Cc2ccc(CC)cn2)C1 ZINC000252493390 545529814 /nfs/dbraw/zinc/52/98/14/545529814.db2.gz NBDNDOBSZOOHIZ-HNNXBMFYSA-N 1 1 261.369 2.631 50 0 CFAAMO CCC1=NO[C@H](C[N@@H+](C)Cc2ccc(CC)cn2)C1 ZINC000252493390 545529817 /nfs/dbraw/zinc/52/98/17/545529817.db2.gz NBDNDOBSZOOHIZ-HNNXBMFYSA-N 1 1 261.369 2.631 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000239672508 570355167 /nfs/dbraw/zinc/35/51/67/570355167.db2.gz BTNIYVUXEIFSGC-QXSJWSMHSA-N 1 1 295.471 2.985 50 0 CFAAMO CSc1ccc(NC(=O)NC[C@]2(C)CC[N@@H+](C)C2)cc1 ZINC000952973387 617280358 /nfs/dbraw/zinc/28/03/58/617280358.db2.gz LEMWNNDGKLWBGA-HNNXBMFYSA-N 1 1 293.436 2.872 50 0 CFAAMO CC[C@@H](C(=O)N1CCC(CC)(CC)C1)[N@@H+](C)CC ZINC000952979097 615368302 /nfs/dbraw/zinc/36/83/02/615368302.db2.gz QTPCOAYAMACMCB-ZDUSSCGKSA-N 1 1 254.418 2.755 50 0 CFAAMO CC[C@H](C(=O)NCc1cccc(Cl)c1C)[N@@H+](C)CC ZINC000952965182 615607071 /nfs/dbraw/zinc/60/70/71/615607071.db2.gz FSWJUFUJNMVAMX-CQSZACIVSA-N 1 1 282.815 2.995 50 0 CFAAMO CCc1[nH]c(CN(C)Cc2nc(C)cs2)c(C)[nH+]1 ZINC000952987502 615736370 /nfs/dbraw/zinc/73/63/70/615736370.db2.gz IBSKIZJOJOTCKM-UHFFFAOYSA-N 1 1 264.398 2.677 50 0 CFAAMO Cn1cncc1C[N@@H+](C)C(C)(C)c1ccc2c(c1)OCO2 ZINC000177028073 618255479 /nfs/dbraw/zinc/25/54/79/618255479.db2.gz PGSXNDRKVPRGQL-UHFFFAOYSA-N 1 1 287.363 2.516 50 0 CFAAMO Cc1ncsc1C[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000888098338 619132551 /nfs/dbraw/zinc/13/25/51/619132551.db2.gz IJLJKIKOFYXIIT-SNVBAGLBSA-N 1 1 276.409 2.835 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000004022339 619391186 /nfs/dbraw/zinc/39/11/86/619391186.db2.gz VZOFCGUVUCUHGV-JKSUJKDBSA-N 1 1 278.440 2.923 50 0 CFAAMO CCc1ccc(-c2noc([C@H]3C[N@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000874435605 624453313 /nfs/dbraw/zinc/45/33/13/624453313.db2.gz ZBOZJJQAESKKLQ-LSDHHAIUSA-N 1 1 299.374 2.835 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180199436 625003647 /nfs/dbraw/zinc/00/36/47/625003647.db2.gz XFCGVEKBWSWUBL-HNNXBMFYSA-N 1 1 299.418 2.946 50 0 CFAAMO COC(=O)[C@@H]([NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000069554699 625155556 /nfs/dbraw/zinc/15/55/56/625155556.db2.gz GHSAYSKCPCECOR-HNNXBMFYSA-N 1 1 271.316 2.522 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000195514512 650756147 /nfs/dbraw/zinc/75/61/47/650756147.db2.gz USLSOOMDJOKINM-GFCCVEGCSA-N 1 1 297.402 2.696 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CN2c3ccccc3SCC2=O)C1 ZINC000095358980 650972206 /nfs/dbraw/zinc/97/22/06/650972206.db2.gz GRVCTRDGPJECMR-ZDUSSCGKSA-N 1 1 290.432 2.856 50 0 CFAAMO CCc1cc(C)c(C(=O)NCC[N@H+]2CCCC[C@H]2C)o1 ZINC000134991356 647890038 /nfs/dbraw/zinc/89/00/38/647890038.db2.gz RZYHAUZJYWCPIY-CYBMUJFWSA-N 1 1 278.396 2.755 50 0 CFAAMO c1cc(-c2noc([C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)ccn1 ZINC000019336583 651289467 /nfs/dbraw/zinc/28/94/67/651289467.db2.gz MPCGGSJDQARUNW-ZIAGYGMSSA-N 1 1 284.363 2.864 50 0 CFAAMO Cc1nc(CO[C@@H]2CCC[N@H+](C3CCCCC3)C2)no1 ZINC000675015964 775983647 /nfs/dbraw/zinc/98/36/47/775983647.db2.gz BLKJKHXMFRVBBP-CQSZACIVSA-N 1 1 279.384 2.692 50 0 CFAAMO CCC[N@H+]1CCCC[C@H]1C(=O)NNc1ccc(F)cc1 ZINC000049519547 779127293 /nfs/dbraw/zinc/12/72/93/779127293.db2.gz VTMDLDJXHVRPAX-AWEZNQCLSA-N 1 1 279.359 2.533 50 0 CFAAMO CC[C@H](O)C1CCN(CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000822594968 781906518 /nfs/dbraw/zinc/90/65/18/781906518.db2.gz PEUPQCICSZXYJD-INIZCTEOSA-N 1 1 282.472 2.591 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N(Cc1ccsc1)C1CC1 ZINC000095954908 185041817 /nfs/dbraw/zinc/04/18/17/185041817.db2.gz INLBXTJCUGJNGJ-GFCCVEGCSA-N 1 1 292.448 2.969 50 0 CFAAMO COC(=O)C1CC[NH+](Cc2c(Cl)cccc2OC)CC1 ZINC000095982275 185053995 /nfs/dbraw/zinc/05/39/95/185053995.db2.gz BBHKTFGBMUYVFK-UHFFFAOYSA-N 1 1 297.782 2.734 50 0 CFAAMO COc1ccc([C@@H]2CC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000095987221 185056146 /nfs/dbraw/zinc/05/61/46/185056146.db2.gz ARXQZBHUOVMGBM-MRXNPFEDSA-N 1 1 285.391 2.771 50 0 CFAAMO c1ccc2nc(CSCC[NH+]3CCOCC3)ccc2c1 ZINC000097022511 185153838 /nfs/dbraw/zinc/15/38/38/185153838.db2.gz BSGNOYRWAYQNKO-UHFFFAOYSA-N 1 1 288.416 2.800 50 0 CFAAMO Cn1cc(C[N@H+]2CCC[C@@](C)(CO)C2)c(-c2ccccc2)n1 ZINC000097033945 185155991 /nfs/dbraw/zinc/15/59/91/185155991.db2.gz SVHXAAFPDQVULE-GOSISDBHSA-N 1 1 299.418 2.682 50 0 CFAAMO CC[N@H+]1CC[C@@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000823104909 781921256 /nfs/dbraw/zinc/92/12/56/781921256.db2.gz UNJNBHBKAVQXCY-GFCCVEGCSA-N 1 1 274.393 2.711 50 0 CFAAMO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)[C@H]1CCCO1 ZINC000096491742 529681855 /nfs/dbraw/zinc/68/18/55/529681855.db2.gz LTOHEWCDCPPCSW-HZPDHXFCSA-N 1 1 268.445 2.654 50 0 CFAAMO CN(C)[C@H]1CCCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000082138987 282251801 /nfs/dbraw/zinc/25/18/01/282251801.db2.gz WMPZIQPKRUITFL-INIZCTEOSA-N 1 1 258.409 2.570 50 0 CFAAMO C[N@@H+](Cc1cccnc1)[C@H](CCO)c1ccccc1 ZINC000096441573 530006531 /nfs/dbraw/zinc/00/65/31/530006531.db2.gz BPWFRAVHLQVORQ-MRXNPFEDSA-N 1 1 256.349 2.637 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000097272411 185574791 /nfs/dbraw/zinc/57/47/91/185574791.db2.gz FLRMSHAAEXFVLP-TXTHVTMNSA-N 1 1 261.365 2.555 50 0 CFAAMO CCCN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000023282809 346252395 /nfs/dbraw/zinc/25/23/95/346252395.db2.gz QDXJILSWYXJZIF-UHFFFAOYSA-N 1 1 258.409 2.919 50 0 CFAAMO CCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000023282809 346252396 /nfs/dbraw/zinc/25/23/96/346252396.db2.gz QDXJILSWYXJZIF-UHFFFAOYSA-N 1 1 258.409 2.919 50 0 CFAAMO COCC[N@@H+](CC(=O)Nc1ccccc1C)C1CCCC1 ZINC000026447211 346265204 /nfs/dbraw/zinc/26/52/04/346265204.db2.gz WVRRWSSGTYUXCM-UHFFFAOYSA-N 1 1 290.407 2.825 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCCCO2)on1 ZINC000052008085 346510808 /nfs/dbraw/zinc/51/08/08/346510808.db2.gz BBVHRFHTVFUUIU-STQMWFEESA-N 1 1 250.342 2.689 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCCCO2)on1 ZINC000052008087 346510954 /nfs/dbraw/zinc/51/09/54/346510954.db2.gz BBVHRFHTVFUUIU-QWHCGFSZSA-N 1 1 250.342 2.689 50 0 CFAAMO CCO[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)C12CCCC2 ZINC000085680215 179113474 /nfs/dbraw/zinc/11/34/74/179113474.db2.gz SHFPYOSGOXFGHU-KGLIPLIRSA-N 1 1 263.385 2.546 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000097377033 347709228 /nfs/dbraw/zinc/70/92/28/347709228.db2.gz VHTDSKVIFCLAIN-ZDUSSCGKSA-N 1 1 290.436 2.640 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)CCCc1cncc(F)c1 ZINC000170600000 348055900 /nfs/dbraw/zinc/05/59/00/348055900.db2.gz ILTYSBSPVFIXJJ-UHFFFAOYSA-N 1 1 277.343 2.890 50 0 CFAAMO Cc1csc([C@H](C)[N@@H+](C)C[C@H]2CC[C@H](O)CC2)n1 ZINC000244633183 348250524 /nfs/dbraw/zinc/25/05/24/348250524.db2.gz FYQJTPICKHHAMJ-AVGNSLFASA-N 1 1 268.426 2.995 50 0 CFAAMO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000087121335 179395978 /nfs/dbraw/zinc/39/59/78/179395978.db2.gz MYXTVALRDZDKKO-HRCADAONSA-N 1 1 296.455 2.571 50 0 CFAAMO Cc1cc(C)c(CN[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000584887636 348727638 /nfs/dbraw/zinc/72/76/38/348727638.db2.gz ADUHIZLLISURIZ-OAHLLOKOSA-N 1 1 261.413 2.662 50 0 CFAAMO Clc1c[nH+]ccc1NCc1ccc(-n2cncn2)cc1 ZINC000091432128 180153705 /nfs/dbraw/zinc/15/37/05/180153705.db2.gz CYFBVALGLLIKET-UHFFFAOYSA-N 1 1 285.738 2.928 50 0 CFAAMO CCn1c2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000091440573 180156903 /nfs/dbraw/zinc/15/69/03/180156903.db2.gz WAIPSXMCHIGVOX-LSDHHAIUSA-N 1 1 298.434 2.582 50 0 CFAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000091474576 180165240 /nfs/dbraw/zinc/16/52/40/180165240.db2.gz YWHWUPSISKQPBQ-QGZVFWFLSA-N 1 1 295.398 2.745 50 0 CFAAMO Cc1nc(N[C@H]2CCOC3(CCOCC3)C2)c(C)c(C)[nH+]1 ZINC000091645833 180214515 /nfs/dbraw/zinc/21/45/15/180214515.db2.gz CAGGFNINBBVJBC-AWEZNQCLSA-N 1 1 291.395 2.542 50 0 CFAAMO CC[C@@]1(CO)CCC[N@@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000091794459 180257743 /nfs/dbraw/zinc/25/77/43/180257743.db2.gz UEKWWJLKNFREMX-QGZVFWFLSA-N 1 1 292.423 2.692 50 0 CFAAMO CC[C@]1(CO)CCC[N@@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000091794456 180257862 /nfs/dbraw/zinc/25/78/62/180257862.db2.gz UEKWWJLKNFREMX-KRWDZBQOSA-N 1 1 292.423 2.692 50 0 CFAAMO COc1c(C)cnc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)c1C ZINC000091745590 180244387 /nfs/dbraw/zinc/24/43/87/180244387.db2.gz YMNACQHSHIOTON-KRWDZBQOSA-N 1 1 292.423 2.690 50 0 CFAAMO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC000092099622 180324667 /nfs/dbraw/zinc/32/46/67/180324667.db2.gz JRLUQRPWACECHI-CQSZACIVSA-N 1 1 299.418 2.869 50 0 CFAAMO C[C@H](C(=O)NCc1ccco1)[N@@H+](C)[C@H](C)c1ccccc1 ZINC000105870457 186081412 /nfs/dbraw/zinc/08/14/12/186081412.db2.gz BRUACDORBRZLDY-ZIAGYGMSSA-N 1 1 286.375 2.977 50 0 CFAAMO CC(C)CC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000107352340 186172417 /nfs/dbraw/zinc/17/24/17/186172417.db2.gz LYLHIANYVMSYEX-KKUMJFAQSA-N 1 1 281.444 2.689 50 0 CFAAMO FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCCn2ncnc21 ZINC000096493688 282925732 /nfs/dbraw/zinc/92/57/32/282925732.db2.gz HAWIXASQOJKCIF-GFCCVEGCSA-N 1 1 296.296 2.922 50 0 CFAAMO O[C@@H]1C[N@H+](CCC(F)(F)C(F)F)Cc2ccccc21 ZINC000082134653 540079776 /nfs/dbraw/zinc/07/97/76/540079776.db2.gz QBEINJXYXMGVOE-LLVKDONJSA-N 1 1 277.261 2.826 50 0 CFAAMO O[C@@H]1C[N@@H+](CCC(F)(F)C(F)F)Cc2ccccc21 ZINC000082134653 540079779 /nfs/dbraw/zinc/07/97/79/540079779.db2.gz QBEINJXYXMGVOE-LLVKDONJSA-N 1 1 277.261 2.826 50 0 CFAAMO CCC[N@H+](CC(=O)N(C)C)CC1CCC(C)CC1 ZINC000092382525 283084737 /nfs/dbraw/zinc/08/47/37/283084737.db2.gz DIFFHAQXLMJZER-UHFFFAOYSA-N 1 1 254.418 2.613 50 0 CFAAMO C[N@H+](CCN1CCCC1=O)[C@H]1CCc2c1c(F)ccc2F ZINC000083860894 540187120 /nfs/dbraw/zinc/18/71/20/540187120.db2.gz TZXQUMTWZSBYCJ-AWEZNQCLSA-N 1 1 294.345 2.506 50 0 CFAAMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCc2c1c(F)ccc2F ZINC000083860894 540187121 /nfs/dbraw/zinc/18/71/21/540187121.db2.gz TZXQUMTWZSBYCJ-AWEZNQCLSA-N 1 1 294.345 2.506 50 0 CFAAMO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nncn1C ZINC000084640666 540204364 /nfs/dbraw/zinc/20/43/64/540204364.db2.gz MIELIRWPPGUZFR-LLVKDONJSA-N 1 1 278.787 2.532 50 0 CFAAMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nncn1C ZINC000084640666 540204367 /nfs/dbraw/zinc/20/43/67/540204367.db2.gz MIELIRWPPGUZFR-LLVKDONJSA-N 1 1 278.787 2.532 50 0 CFAAMO Cc1cccc([C@H](C(=O)NCc2cccs2)[NH+](C)C)c1 ZINC000823649029 781934544 /nfs/dbraw/zinc/93/45/44/781934544.db2.gz SWIUGLKGDUTYNB-OAHLLOKOSA-N 1 1 288.416 2.976 50 0 CFAAMO CN(Cc1ccncc1Cl)C[C@]1(C)CC[N@@H+](C)C1 ZINC000823683745 781935936 /nfs/dbraw/zinc/93/59/36/781935936.db2.gz IZXZMJKSYWQPRB-CQSZACIVSA-N 1 1 267.804 2.509 50 0 CFAAMO COCc1ccc(C[N@H+]2CCC[C@@H](c3cn[nH]c3)C2)cc1 ZINC000092809713 540412251 /nfs/dbraw/zinc/41/22/51/540412251.db2.gz JSMJQTJWECPSLF-MRXNPFEDSA-N 1 1 285.391 2.936 50 0 CFAAMO CC(C)=CCC[N@H+](C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000823683878 781936579 /nfs/dbraw/zinc/93/65/79/781936579.db2.gz GSPNSJGKLPCVDV-AWEZNQCLSA-N 1 1 266.429 2.922 50 0 CFAAMO Cc1ncsc1C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000585089188 540460763 /nfs/dbraw/zinc/46/07/63/540460763.db2.gz POSNIYXAHAFFHS-SNVBAGLBSA-N 1 1 276.409 2.835 50 0 CFAAMO Cc1oc(C)c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1C ZINC000084061192 540681435 /nfs/dbraw/zinc/68/14/35/540681435.db2.gz ILSPRXIRTYJYNS-CQSZACIVSA-N 1 1 276.380 2.515 50 0 CFAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(n2cccc2)CC1 ZINC000084789193 540685320 /nfs/dbraw/zinc/68/53/20/540685320.db2.gz NURUVKFVJUKGPW-INIZCTEOSA-N 1 1 289.423 2.526 50 0 CFAAMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccccc1 ZINC000089745440 540719439 /nfs/dbraw/zinc/71/94/39/540719439.db2.gz VNOXWLWWCXPODZ-HNNXBMFYSA-N 1 1 255.365 2.930 50 0 CFAAMO CCOCc1cccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000252484066 540745758 /nfs/dbraw/zinc/74/57/58/540745758.db2.gz FNJWJLRCEIWMIQ-WFASDCNBSA-N 1 1 276.380 2.502 50 0 CFAAMO CC(C)(COCc1ccccc1)[NH2+]Cc1ccon1 ZINC000252494017 540749187 /nfs/dbraw/zinc/74/91/87/540749187.db2.gz NIKGAJLMBGQQJD-UHFFFAOYSA-N 1 1 260.337 2.760 50 0 CFAAMO CC[C@H]([NH2+]Cc1ccon1)c1ccc2c(c1)OCCO2 ZINC000178262413 189101558 /nfs/dbraw/zinc/10/15/58/189101558.db2.gz OPFPANMXUGWYMO-ZDUSSCGKSA-N 1 1 274.320 2.687 50 0 CFAAMO C[N@@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000670439154 540995256 /nfs/dbraw/zinc/99/52/56/540995256.db2.gz QGAPBDUWJKCLRY-LBPRGKRZSA-N 1 1 291.370 2.603 50 0 CFAAMO C[N@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCCOC1 ZINC000670439154 540995258 /nfs/dbraw/zinc/99/52/58/540995258.db2.gz QGAPBDUWJKCLRY-LBPRGKRZSA-N 1 1 291.370 2.603 50 0 CFAAMO C[N@@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCCOC1 ZINC000670439154 540995261 /nfs/dbraw/zinc/99/52/61/540995261.db2.gz QGAPBDUWJKCLRY-LBPRGKRZSA-N 1 1 291.370 2.603 50 0 CFAAMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000670455132 541000824 /nfs/dbraw/zinc/00/08/24/541000824.db2.gz WOBUUGIYXAIVSM-GFCCVEGCSA-N 1 1 285.334 2.881 50 0 CFAAMO Cc1nncn1CC[N@H+]1CCC[C@H](c2cccc(C)c2)C1 ZINC000670455271 541000833 /nfs/dbraw/zinc/00/08/33/541000833.db2.gz MGPLORUSTVTQAH-KRWDZBQOSA-N 1 1 284.407 2.775 50 0 CFAAMO COc1ccc(/C=C/C[N@@H+](C)CC2(C)COC2)cc1 ZINC000670460674 541002783 /nfs/dbraw/zinc/00/27/83/541002783.db2.gz AHARODRWFUGTPG-SNAWJCMRSA-N 1 1 261.365 2.677 50 0 CFAAMO O=C1CC[C@H]([N@H+]2CCC3(C2)CCCCCC3)CCN1 ZINC000670462325 541003704 /nfs/dbraw/zinc/00/37/04/541003704.db2.gz IVRJHFKZFVZRAP-AWEZNQCLSA-N 1 1 264.413 2.701 50 0 CFAAMO COc1cc(SC)c(OC)cc1C[N@H+]1CC[C@H](OC)C1 ZINC000670462533 541004249 /nfs/dbraw/zinc/00/42/49/541004249.db2.gz ZGCGWGCZGSZAOJ-LBPRGKRZSA-N 1 1 297.420 2.646 50 0 CFAAMO COc1cc(SC)c(OC)cc1C[N@@H+]1CC[C@H](OC)C1 ZINC000670462533 541004250 /nfs/dbraw/zinc/00/42/50/541004250.db2.gz ZGCGWGCZGSZAOJ-LBPRGKRZSA-N 1 1 297.420 2.646 50 0 CFAAMO CN1CC[N@@H+](Cc2ccc3ccccc3c2)CCC1=O ZINC000015070362 541012613 /nfs/dbraw/zinc/01/26/13/541012613.db2.gz RMNLWURFBDCAEZ-UHFFFAOYSA-N 1 1 268.360 2.504 50 0 CFAAMO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccncc1 ZINC000183746086 189367051 /nfs/dbraw/zinc/36/70/51/189367051.db2.gz KRBFDGMVPKWWGZ-UHFFFAOYSA-N 1 1 258.369 2.665 50 0 CFAAMO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccncc1 ZINC000183746086 189367052 /nfs/dbraw/zinc/36/70/52/189367052.db2.gz KRBFDGMVPKWWGZ-UHFFFAOYSA-N 1 1 258.369 2.665 50 0 CFAAMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(F)cc1F ZINC000000078582 371525645 /nfs/dbraw/zinc/52/56/45/371525645.db2.gz SEELEHLAUTYYQH-UHFFFAOYSA-N 1 1 277.274 2.678 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000207100 371557793 /nfs/dbraw/zinc/55/77/93/371557793.db2.gz CGWXRMJZQYQZNH-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000207100 371557797 /nfs/dbraw/zinc/55/77/97/371557797.db2.gz CGWXRMJZQYQZNH-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO Cc1c(C[N@@H+]2CCC[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000000165161 371546676 /nfs/dbraw/zinc/54/66/76/371546676.db2.gz HTCXILRWISWNFQ-AWEZNQCLSA-N 1 1 299.418 2.716 50 0 CFAAMO COc1ccc(C(=O)OCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000000174323 371549839 /nfs/dbraw/zinc/54/98/39/371549839.db2.gz WPYZGURVLDJNNY-UHFFFAOYSA-N 1 1 299.370 2.984 50 0 CFAAMO COc1cc(C[N@@H+]2CCc3ccccc3C2)cc2c1OCO2 ZINC000000210338 371558922 /nfs/dbraw/zinc/55/89/22/371558922.db2.gz YHKAYCDNFJKVEL-UHFFFAOYSA-N 1 1 297.354 2.982 50 0 CFAAMO COc1cc(C[N@H+]2CCc3ccccc3C2)cc2c1OCO2 ZINC000000210338 371558932 /nfs/dbraw/zinc/55/89/32/371558932.db2.gz YHKAYCDNFJKVEL-UHFFFAOYSA-N 1 1 297.354 2.982 50 0 CFAAMO Cc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000000213476 371559618 /nfs/dbraw/zinc/55/96/18/371559618.db2.gz YAGMKCNFXCNRCP-UHFFFAOYSA-N 1 1 256.349 2.910 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000000214661 371561111 /nfs/dbraw/zinc/56/11/11/371561111.db2.gz XMXWETGJKZQOQK-SNVBAGLBSA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000000214661 371561120 /nfs/dbraw/zinc/56/11/20/371561120.db2.gz XMXWETGJKZQOQK-SNVBAGLBSA-N 1 1 288.160 2.545 50 0 CFAAMO CSc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000000237212 371564836 /nfs/dbraw/zinc/56/48/36/371564836.db2.gz NUFROYVMSKPINI-UHFFFAOYSA-N 1 1 264.438 2.935 50 0 CFAAMO CSc1ccc(CN(C)C2CC[NH+](C)CC2)cc1 ZINC000000237212 371564845 /nfs/dbraw/zinc/56/48/45/371564845.db2.gz NUFROYVMSKPINI-UHFFFAOYSA-N 1 1 264.438 2.935 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000000236551 371565180 /nfs/dbraw/zinc/56/51/80/371565180.db2.gz IJNGKRXGASMSBI-HNNXBMFYSA-N 1 1 261.365 2.770 50 0 CFAAMO Cn1cc[nH+]c1CC(O)(c1ccccc1)c1ccccc1 ZINC000000255276 371569676 /nfs/dbraw/zinc/56/96/76/371569676.db2.gz JEBPYPNETYWCJE-UHFFFAOYSA-N 1 1 278.355 2.899 50 0 CFAAMO CC(C)[N@@H+](C)CCOC(=O)c1cc2ccccc2o1 ZINC000001821534 371708226 /nfs/dbraw/zinc/70/82/26/371708226.db2.gz XOHBSRKZCNUMTH-UHFFFAOYSA-N 1 1 261.321 2.930 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000002451856 371727452 /nfs/dbraw/zinc/72/74/52/371727452.db2.gz KKCDJKPEBVZDHO-XJKSGUPXSA-N 1 1 297.826 2.949 50 0 CFAAMO CCOc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000002710347 371748609 /nfs/dbraw/zinc/74/86/09/371748609.db2.gz RWMFQGVELTWWMM-UHFFFAOYSA-N 1 1 276.380 2.756 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000002784697 371754326 /nfs/dbraw/zinc/75/43/26/371754326.db2.gz BAEAAVLSUZLUEP-UHFFFAOYSA-N 1 1 294.395 2.764 50 0 CFAAMO COC(=O)c1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000002823604 371756749 /nfs/dbraw/zinc/75/67/49/371756749.db2.gz KESHTUNMCPTTJY-AWEZNQCLSA-N 1 1 291.391 2.974 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000003342708 371792562 /nfs/dbraw/zinc/79/25/62/371792562.db2.gz GYEGBFUEMLBSFM-UHFFFAOYSA-N 1 1 280.371 2.992 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000003342708 371792564 /nfs/dbraw/zinc/79/25/64/371792564.db2.gz GYEGBFUEMLBSFM-UHFFFAOYSA-N 1 1 280.371 2.992 50 0 CFAAMO CC[N@@H+](CCO)Cc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000004340564 371850721 /nfs/dbraw/zinc/85/07/21/371850721.db2.gz WLHIQLUULSUIFF-UHFFFAOYSA-N 1 1 295.766 2.569 50 0 CFAAMO COc1ccc(CC[C@H](C)[NH2+]CCCN(C)C)cc1 ZINC000012383434 371958776 /nfs/dbraw/zinc/95/87/76/371958776.db2.gz HIRPXTQYHKMJFL-AWEZNQCLSA-N 1 1 264.413 2.558 50 0 CFAAMO C[N@@H+](CCOc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000012820248 371989172 /nfs/dbraw/zinc/98/91/72/371989172.db2.gz XMDYPTFKPKDDCU-UHFFFAOYSA-N 1 1 285.343 2.926 50 0 CFAAMO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccc(F)cc1 ZINC000012880312 371994176 /nfs/dbraw/zinc/99/41/76/371994176.db2.gz SRBMVYBLZJSDQN-LBPRGKRZSA-N 1 1 278.371 2.705 50 0 CFAAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000012880312 371994182 /nfs/dbraw/zinc/99/41/82/371994182.db2.gz SRBMVYBLZJSDQN-LBPRGKRZSA-N 1 1 278.371 2.705 50 0 CFAAMO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(O)CC1 ZINC000012908623 371997393 /nfs/dbraw/zinc/99/73/93/371997393.db2.gz YMTPPKZQEXDXRG-ZDUSSCGKSA-N 1 1 298.386 2.624 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000012139859 371946402 /nfs/dbraw/zinc/94/64/02/371946402.db2.gz CRZVQVZEELAJAD-WMLDXEAASA-N 1 1 289.419 2.789 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2cccc(SC)c2)CC1 ZINC000013737251 372046471 /nfs/dbraw/zinc/04/64/71/372046471.db2.gz UJHZMDFTLLBDGK-UHFFFAOYSA-N 1 1 279.409 2.578 50 0 CFAAMO c1cnn(CCC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000015071212 372078289 /nfs/dbraw/zinc/07/82/89/372078289.db2.gz VPKKREYOYBSJGW-QGZVFWFLSA-N 1 1 284.407 2.850 50 0 CFAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCc1ccco1 ZINC000015371995 372084050 /nfs/dbraw/zinc/08/40/50/372084050.db2.gz YNFBSOUTVZEYAX-ZDUSSCGKSA-N 1 1 272.348 2.589 50 0 CFAAMO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+](C)C)o1 ZINC000015860089 372095066 /nfs/dbraw/zinc/09/50/66/372095066.db2.gz ZRTZZEKARMKKLA-HNNXBMFYSA-N 1 1 286.375 2.929 50 0 CFAAMO C[N@H+]1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000019634888 372177693 /nfs/dbraw/zinc/17/76/93/372177693.db2.gz IZGHHAYGVFCRFW-UHFFFAOYSA-N 1 1 256.752 2.617 50 0 CFAAMO C[NH+]1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000020118160 372232811 /nfs/dbraw/zinc/23/28/11/372232811.db2.gz VKNVEUHGXGBQFY-UHFFFAOYSA-N 1 1 270.829 2.680 50 0 CFAAMO Cc1nc(CC[N@H+](C)Cc2[nH]nc3c2CCCC3)cs1 ZINC000019774487 372186488 /nfs/dbraw/zinc/18/64/88/372186488.db2.gz FJBHXBDDPRIXGU-UHFFFAOYSA-N 1 1 290.436 2.728 50 0 CFAAMO c1cn(CC[C@@H]2CCCC[N@H+]2Cc2[nH]nc3c2CCC3)cn1 ZINC000019792496 372187505 /nfs/dbraw/zinc/18/75/05/372187505.db2.gz HLAANPUVHKRVHS-AWEZNQCLSA-N 1 1 299.422 2.540 50 0 CFAAMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000025222057 372291842 /nfs/dbraw/zinc/29/18/42/372291842.db2.gz KLDIOAORQXVFCV-UHFFFAOYSA-N 1 1 280.371 2.950 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OC ZINC000022936498 372247795 /nfs/dbraw/zinc/24/77/95/372247795.db2.gz REMSDNMEXZJTNR-CQSZACIVSA-N 1 1 282.815 2.923 50 0 CFAAMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC ZINC000022936498 372247801 /nfs/dbraw/zinc/24/78/01/372247801.db2.gz REMSDNMEXZJTNR-CQSZACIVSA-N 1 1 282.815 2.923 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1 ZINC000022935942 372248749 /nfs/dbraw/zinc/24/87/49/372248749.db2.gz LHLIZBJUZOKQEE-AWEZNQCLSA-N 1 1 252.789 2.914 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1 ZINC000022935942 372248755 /nfs/dbraw/zinc/24/87/55/372248755.db2.gz LHLIZBJUZOKQEE-AWEZNQCLSA-N 1 1 252.789 2.914 50 0 CFAAMO C[C@@H](CNC(=O)C[C@H]1C=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025941173 372311053 /nfs/dbraw/zinc/31/10/53/372311053.db2.gz DBAXTLJCTUOZDF-HOTGVXAUSA-N 1 1 298.430 2.906 50 0 CFAAMO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000027221333 372337819 /nfs/dbraw/zinc/33/78/19/372337819.db2.gz HHCCJNUVYFGZRM-NSHDSACASA-N 1 1 286.331 2.770 50 0 CFAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000029489001 372381637 /nfs/dbraw/zinc/38/16/37/372381637.db2.gz AWAANEFIVJAPKU-QGZVFWFLSA-N 1 1 280.371 2.905 50 0 CFAAMO c1ccc2c(c1)ncnc2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000029588935 372382714 /nfs/dbraw/zinc/38/27/14/372382714.db2.gz DQCNXVRSFPCBAE-LBPRGKRZSA-N 1 1 268.364 2.526 50 0 CFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000029838608 372387401 /nfs/dbraw/zinc/38/74/01/372387401.db2.gz XNLWPTBTDBQWEN-UHFFFAOYSA-N 1 1 294.398 2.865 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000030142791 372391190 /nfs/dbraw/zinc/39/11/90/372391190.db2.gz YOWAFMVDCAWCLV-GFCCVEGCSA-N 1 1 291.420 2.686 50 0 CFAAMO NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000032935677 372479767 /nfs/dbraw/zinc/47/97/67/372479767.db2.gz UGVXQAOAESXCAF-CQSZACIVSA-N 1 1 297.402 2.720 50 0 CFAAMO CCN1CCC[C@H](C[N@H+](C)C2CCSCC2)C1 ZINC000032593228 372447308 /nfs/dbraw/zinc/44/73/08/372447308.db2.gz NTYIEYPUKUXUHT-CYBMUJFWSA-N 1 1 256.459 2.546 50 0 CFAAMO CCN1CCC[C@H](C[N@@H+](C)C2CCSCC2)C1 ZINC000032593228 372447311 /nfs/dbraw/zinc/44/73/11/372447311.db2.gz NTYIEYPUKUXUHT-CYBMUJFWSA-N 1 1 256.459 2.546 50 0 CFAAMO COc1ccc(C)cc1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000032777884 372462169 /nfs/dbraw/zinc/46/21/69/372462169.db2.gz WIGVLOABUBBLMZ-UHFFFAOYSA-N 1 1 276.380 2.815 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](CC(=O)N1CCc2ccccc21)C1CC1 ZINC000032814805 372464800 /nfs/dbraw/zinc/46/48/00/372464800.db2.gz XREDQRALSWVAPN-ZDUSSCGKSA-N 1 1 284.403 2.839 50 0 CFAAMO Cc1cc(NC[C@H]2Cc3ccccc3O2)nc(C)[nH+]1 ZINC000032825064 372466769 /nfs/dbraw/zinc/46/67/69/372466769.db2.gz WXKHDYJBHUQQTC-CYBMUJFWSA-N 1 1 255.321 2.509 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)C(=O)NCc1ccco1 ZINC000035973993 372554482 /nfs/dbraw/zinc/55/44/82/372554482.db2.gz BRUACDORBRZLDY-KGLIPLIRSA-N 1 1 286.375 2.977 50 0 CFAAMO CCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](O)C(C)C ZINC000036097226 372558172 /nfs/dbraw/zinc/55/81/72/372558172.db2.gz YHBCEXKVIIQXHW-HNNXBMFYSA-N 1 1 295.423 2.933 50 0 CFAAMO Cc1ccc(C[N@H+](C[C@H](O)COCC(C)C)C(C)C)o1 ZINC000036097715 372559111 /nfs/dbraw/zinc/55/91/11/372559111.db2.gz XGMJGROMQXELBE-HNNXBMFYSA-N 1 1 283.412 2.832 50 0 CFAAMO O=C(Nc1ccccc1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000036644044 372585588 /nfs/dbraw/zinc/58/55/88/372585588.db2.gz WAECOEPXMDOKRQ-INIZCTEOSA-N 1 1 296.370 2.995 50 0 CFAAMO O=C(Nc1ccccc1O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000036644044 372585590 /nfs/dbraw/zinc/58/55/90/372585590.db2.gz WAECOEPXMDOKRQ-INIZCTEOSA-N 1 1 296.370 2.995 50 0 CFAAMO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000037879954 372732095 /nfs/dbraw/zinc/73/20/95/372732095.db2.gz VFGWGPYFIMJLPV-VIFPVBQESA-N 1 1 251.280 2.847 50 0 CFAAMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1Cl ZINC000042267269 372898046 /nfs/dbraw/zinc/89/80/46/372898046.db2.gz ZIMKEIVNZOSKGO-QMMMGPOBSA-N 1 1 294.704 2.669 50 0 CFAAMO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1Cl ZINC000042267272 372898742 /nfs/dbraw/zinc/89/87/42/372898742.db2.gz ZIMKEIVNZOSKGO-MRVPVSSYSA-N 1 1 294.704 2.669 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000049460963 373299164 /nfs/dbraw/zinc/29/91/64/373299164.db2.gz VCWLLDHTHBYZSW-UHFFFAOYSA-N 1 1 297.280 2.640 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000049479572 373301133 /nfs/dbraw/zinc/30/11/33/373301133.db2.gz RRMZPRHKXOIPOT-CYBMUJFWSA-N 1 1 278.371 2.676 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000049479579 373303419 /nfs/dbraw/zinc/30/34/19/373303419.db2.gz HLPXFEJYZKIFAL-LBPRGKRZSA-N 1 1 266.410 2.598 50 0 CFAAMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000052861385 373454591 /nfs/dbraw/zinc/45/45/91/373454591.db2.gz MTOCDDHHCDUNDF-CYBMUJFWSA-N 1 1 275.327 2.897 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccn2)C1 ZINC000054226565 373506590 /nfs/dbraw/zinc/50/65/90/373506590.db2.gz SKEQQMGQGOCORZ-HOCLYGCPSA-N 1 1 295.386 2.647 50 0 CFAAMO COc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1OC ZINC000057353406 373589419 /nfs/dbraw/zinc/58/94/19/373589419.db2.gz MXJQETBBGMSMSO-UHFFFAOYSA-N 1 1 297.358 2.870 50 0 CFAAMO COCC[N@H+](Cc1cccs1)Cc1ccncc1 ZINC000055197241 373544196 /nfs/dbraw/zinc/54/41/96/373544196.db2.gz JBDPTVBHIOYLDL-UHFFFAOYSA-N 1 1 262.378 2.792 50 0 CFAAMO COCC[N@@H+](Cc1cccs1)Cc1ccncc1 ZINC000055197241 373544208 /nfs/dbraw/zinc/54/42/08/373544208.db2.gz JBDPTVBHIOYLDL-UHFFFAOYSA-N 1 1 262.378 2.792 50 0 CFAAMO CC[C@@H](CO)[N@@H+](Cc1[nH]cnc1C)Cc1ccccc1C ZINC000055412978 373551578 /nfs/dbraw/zinc/55/15/78/373551578.db2.gz HJIPCIVFAUVIKE-INIZCTEOSA-N 1 1 287.407 2.800 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000058061250 373624528 /nfs/dbraw/zinc/62/45/28/373624528.db2.gz HAWAXXLQJHYCCT-AWEZNQCLSA-N 1 1 299.418 2.557 50 0 CFAAMO COc1ccc(CC[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000058267382 373639055 /nfs/dbraw/zinc/63/90/55/373639055.db2.gz KFYDLOPDOHARAV-UHFFFAOYSA-N 1 1 285.391 2.840 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3n2C)C1 ZINC000058343963 373647938 /nfs/dbraw/zinc/64/79/38/373647938.db2.gz IENFSTNEYKNHMP-AWEZNQCLSA-N 1 1 299.418 2.638 50 0 CFAAMO CC/C=C(/C)C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000058390881 373653057 /nfs/dbraw/zinc/65/30/57/373653057.db2.gz UBBGWXYFVKAMCG-XGICHPGQSA-N 1 1 284.363 2.548 50 0 CFAAMO Fc1ccccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000060099764 373688707 /nfs/dbraw/zinc/68/87/07/373688707.db2.gz VOEWVYSXIBUAML-UHFFFAOYSA-N 1 1 291.395 2.995 50 0 CFAAMO OCC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000062350375 373759005 /nfs/dbraw/zinc/75/90/05/373759005.db2.gz FKACIXYDVJEAQW-CABCVRRESA-N 1 1 283.799 2.610 50 0 CFAAMO Cc1cc(CN(CC[NH+](C)C)Cc2sccc2C)n[nH]1 ZINC000063847861 373817406 /nfs/dbraw/zinc/81/74/06/373817406.db2.gz OZRUVAVMNJSJSX-UHFFFAOYSA-N 1 1 292.452 2.652 50 0 CFAAMO CC[N@@H+](CCn1cccn1)Cc1ccnc2ccccc12 ZINC000065372674 373859493 /nfs/dbraw/zinc/85/94/93/373859493.db2.gz BGYGJRKSRDQKEC-UHFFFAOYSA-N 1 1 280.375 2.953 50 0 CFAAMO CC(C)[N@@H+](C/C=C/c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000065374902 373861917 /nfs/dbraw/zinc/86/19/17/373861917.db2.gz OKRHBWYYXXCNDY-FSNWXROXSA-N 1 1 272.392 2.689 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCc1nnc(Cc2ccccc2)[nH]1 ZINC000065385671 373863689 /nfs/dbraw/zinc/86/36/89/373863689.db2.gz CSTGLBZFMICJDW-OAHLLOKOSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@@H+]1CCCC[C@@H]1CCc1nc(Cc2ccccc2)n[nH]1 ZINC000065385671 373863696 /nfs/dbraw/zinc/86/36/96/373863696.db2.gz CSTGLBZFMICJDW-OAHLLOKOSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCc1nc(Cc2ccccc2)n[nH]1 ZINC000065385671 373863704 /nfs/dbraw/zinc/86/37/04/373863704.db2.gz CSTGLBZFMICJDW-OAHLLOKOSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@@H+]1CCCC[C@@H]1CCc1n[nH]c(Cc2ccccc2)n1 ZINC000065385671 373863711 /nfs/dbraw/zinc/86/37/11/373863711.db2.gz CSTGLBZFMICJDW-OAHLLOKOSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCc1n[nH]c(Cc2ccccc2)n1 ZINC000065385671 373863716 /nfs/dbraw/zinc/86/37/16/373863716.db2.gz CSTGLBZFMICJDW-OAHLLOKOSA-N 1 1 284.407 2.812 50 0 CFAAMO Cc1nc([C@H]2CCCCC[N@H+]2C)n(-c2ccccn2)n1 ZINC000065410043 373868038 /nfs/dbraw/zinc/86/80/38/373868038.db2.gz BQCHEEYZBBHBAN-CYBMUJFWSA-N 1 1 271.368 2.518 50 0 CFAAMO Cc1nc([C@H]2CCCCC[N@@H+]2C)n(-c2ccccn2)n1 ZINC000065410043 373868042 /nfs/dbraw/zinc/86/80/42/373868042.db2.gz BQCHEEYZBBHBAN-CYBMUJFWSA-N 1 1 271.368 2.518 50 0 CFAAMO Cc1nc[nH]c1C[N@H+](C)Cc1cccc2ncccc12 ZINC000065407175 373868931 /nfs/dbraw/zinc/86/89/31/373868931.db2.gz YQAIEPOSLYCEFJ-UHFFFAOYSA-N 1 1 266.348 2.898 50 0 CFAAMO CC(C)[N@H+](Cc1cc2ccccc2o1)C[C@H]1CCC(=O)N1 ZINC000065425903 373871344 /nfs/dbraw/zinc/87/13/44/373871344.db2.gz RWIIFUSYWAUMPZ-CQSZACIVSA-N 1 1 286.375 2.922 50 0 CFAAMO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(CC(N)=O)CC1 ZINC000065464405 373874933 /nfs/dbraw/zinc/87/49/33/373874933.db2.gz JCOWTDHCFKGFIT-SNVBAGLBSA-N 1 1 282.334 2.613 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccco1 ZINC000066405518 373930238 /nfs/dbraw/zinc/93/02/38/373930238.db2.gz DOENIXQLBWKQEH-STQMWFEESA-N 1 1 264.369 2.721 50 0 CFAAMO C[N@H+]1CCC[C@H](c2nncn2-c2ccccc2Cl)C1 ZINC000067741777 373996571 /nfs/dbraw/zinc/99/65/71/373996571.db2.gz XIMDBASYKJBACP-NSHDSACASA-N 1 1 276.771 2.730 50 0 CFAAMO C[C@@]1(O)CC[N@@H+](Cc2ccncc2)C[C@@H]1Cc1ccccc1 ZINC000067833383 374006678 /nfs/dbraw/zinc/00/66/78/374006678.db2.gz WBZHWNSKYKDDGM-RBUKOAKNSA-N 1 1 296.414 2.897 50 0 CFAAMO CN(CCC1=CC[N@@H+](C)CC1)C(=O)CCc1ccccc1 ZINC000067884601 374012155 /nfs/dbraw/zinc/01/21/55/374012155.db2.gz BLVXUKXGGGJGAM-UHFFFAOYSA-N 1 1 286.419 2.730 50 0 CFAAMO CCN(CC)C[C@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000067458978 373978487 /nfs/dbraw/zinc/97/84/87/373978487.db2.gz LMDQXJSAZWYPAX-NSHDSACASA-N 1 1 278.425 2.511 50 0 CFAAMO CCc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](CC)C2)nc1 ZINC000067542249 373983732 /nfs/dbraw/zinc/98/37/32/373983732.db2.gz BEGBHSSIHWNHRX-GOEBONIOSA-N 1 1 262.397 2.627 50 0 CFAAMO COc1ccc(F)c(F)c1CN1CCC2(C1)CC[NH2+]CC2 ZINC000067689258 373991816 /nfs/dbraw/zinc/99/18/16/373991816.db2.gz JOZCMWQIQNCCAG-UHFFFAOYSA-N 1 1 296.361 2.549 50 0 CFAAMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H]1CCCO1 ZINC000069350400 374056010 /nfs/dbraw/zinc/05/60/10/374056010.db2.gz IPIPVJCNMGUOPS-LLVKDONJSA-N 1 1 262.378 2.907 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2s1)C[C@H]1CCCO1 ZINC000069350400 374056015 /nfs/dbraw/zinc/05/60/15/374056015.db2.gz IPIPVJCNMGUOPS-LLVKDONJSA-N 1 1 262.378 2.907 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2C[C@H](O)c2ccccc2)c1 ZINC000069663385 374082767 /nfs/dbraw/zinc/08/27/67/374082767.db2.gz GSGHZOICZLKUNR-MSOLQXFVSA-N 1 1 299.418 2.780 50 0 CFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000069531636 374072738 /nfs/dbraw/zinc/07/27/38/374072738.db2.gz CZKTUVDBYUWWBC-NSHDSACASA-N 1 1 278.783 2.554 50 0 CFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000069901958 374109838 /nfs/dbraw/zinc/10/98/38/374109838.db2.gz MHMKXWWBGQPUFB-GJZGRUSLSA-N 1 1 273.380 2.711 50 0 CFAAMO CC[N@@H+](CCc1cnn(C)c1)Cc1cccc(F)c1 ZINC000069967431 374112280 /nfs/dbraw/zinc/11/22/80/374112280.db2.gz YNPSMRISWWYEPG-UHFFFAOYSA-N 1 1 261.344 2.624 50 0 CFAAMO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@@H](C)n1cccn1 ZINC000069979363 374115124 /nfs/dbraw/zinc/11/51/24/374115124.db2.gz XNOIGMKQNVQWFY-VXGBXAGGSA-N 1 1 276.384 2.908 50 0 CFAAMO CCOCCN1CC[N@@H+](CCc2cccs2)C[C@@H]1CC ZINC000070008500 374115294 /nfs/dbraw/zinc/11/52/94/374115294.db2.gz FSOOLDVSJWOUIP-HNNXBMFYSA-N 1 1 296.480 2.723 50 0 CFAAMO CCOCC[N@@H+]1CCN(CCc2cccs2)C[C@@H]1CC ZINC000070008500 374115299 /nfs/dbraw/zinc/11/52/99/374115299.db2.gz FSOOLDVSJWOUIP-HNNXBMFYSA-N 1 1 296.480 2.723 50 0 CFAAMO CCOCC[N@H+]1CCN(CCc2cccs2)C[C@@H]1CC ZINC000070008500 374115304 /nfs/dbraw/zinc/11/53/04/374115304.db2.gz FSOOLDVSJWOUIP-HNNXBMFYSA-N 1 1 296.480 2.723 50 0 CFAAMO Cc1cnn(CC[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000069976310 374115333 /nfs/dbraw/zinc/11/53/33/374115333.db2.gz CJSFXWXZGLPFHM-UHFFFAOYSA-N 1 1 288.376 2.698 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000070040066 374116363 /nfs/dbraw/zinc/11/63/63/374116363.db2.gz PRRNFPOBMWMPBJ-AWEZNQCLSA-N 1 1 276.409 2.621 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000070040066 374116372 /nfs/dbraw/zinc/11/63/72/374116372.db2.gz PRRNFPOBMWMPBJ-AWEZNQCLSA-N 1 1 276.409 2.621 50 0 CFAAMO Cc1ccsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000069667705 374085096 /nfs/dbraw/zinc/08/50/96/374085096.db2.gz IOVKTXOJMHETEC-CHWSQXEVSA-N 1 1 278.421 2.755 50 0 CFAAMO CCOCCN1CC[N@@H+](CCc2ccccc2)C[C@H]1CC ZINC000069701354 374087171 /nfs/dbraw/zinc/08/71/71/374087171.db2.gz RLNNCKMUURMASM-GOSISDBHSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@@H+]1CCN(CCc2ccccc2)C[C@H]1CC ZINC000069701354 374087178 /nfs/dbraw/zinc/08/71/78/374087178.db2.gz RLNNCKMUURMASM-GOSISDBHSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@H+]1CCN(CCc2ccccc2)C[C@H]1CC ZINC000069701354 374087184 /nfs/dbraw/zinc/08/71/84/374087184.db2.gz RLNNCKMUURMASM-GOSISDBHSA-N 1 1 290.451 2.662 50 0 CFAAMO C[C@H](C(=O)N1CCCC1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069702678 374087541 /nfs/dbraw/zinc/08/75/41/374087541.db2.gz FFHLQVHGZCQFMF-HIFRSBDPSA-N 1 1 290.382 2.626 50 0 CFAAMO C(=C/c1ccccc1)\C[N@@H+]1CCc2cncnc2C1 ZINC000069704316 374088153 /nfs/dbraw/zinc/08/81/53/374088153.db2.gz YEPICXMPOCFMGY-QPJJXVBHSA-N 1 1 251.333 2.548 50 0 CFAAMO C(=C/c1ccccc1)\C[N@H+]1CCc2cncnc2C1 ZINC000069704316 374088160 /nfs/dbraw/zinc/08/81/60/374088160.db2.gz YEPICXMPOCFMGY-QPJJXVBHSA-N 1 1 251.333 2.548 50 0 CFAAMO CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069738322 374091931 /nfs/dbraw/zinc/09/19/31/374091931.db2.gz BTRGSDZEZVINML-HOCLYGCPSA-N 1 1 274.408 2.733 50 0 CFAAMO c1csc(CC[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000069808412 374098572 /nfs/dbraw/zinc/09/85/72/374098572.db2.gz DPUPTHXRCNSIFB-UHFFFAOYSA-N 1 1 293.461 2.959 50 0 CFAAMO Cc1ccc(F)cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069843118 374105098 /nfs/dbraw/zinc/10/50/98/374105098.db2.gz XQWHOQGWVLLDJR-HOTGVXAUSA-N 1 1 290.382 2.833 50 0 CFAAMO CC(C)c1nccc(CN2CC[N@H+](C(C)C)[C@H](C)C2)n1 ZINC000071753408 374221350 /nfs/dbraw/zinc/22/13/50/374221350.db2.gz FBRNKLMOMFJXFB-CQSZACIVSA-N 1 1 276.428 2.515 50 0 CFAAMO Cc1cc(C2CCC2)nc(NCC[C@H]2CCC[N@@H+]2C)n1 ZINC000071777334 374223062 /nfs/dbraw/zinc/22/30/62/374223062.db2.gz MDANFAOZSLZRKZ-CQSZACIVSA-N 1 1 274.412 2.949 50 0 CFAAMO c1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)on1 ZINC000072716245 374279499 /nfs/dbraw/zinc/27/94/99/374279499.db2.gz FBYQYALWTWCLSN-CYBMUJFWSA-N 1 1 250.342 2.598 50 0 CFAAMO CCSC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000072904032 374300654 /nfs/dbraw/zinc/30/06/54/374300654.db2.gz DBAPYISVRJWVMX-LBPRGKRZSA-N 1 1 280.437 2.620 50 0 CFAAMO Cc1ccc(F)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000075130805 374459882 /nfs/dbraw/zinc/45/98/82/374459882.db2.gz NJEGENOMMFBMHD-HZPDHXFCSA-N 1 1 290.382 2.833 50 0 CFAAMO Cc1ccc(F)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000075130809 374460230 /nfs/dbraw/zinc/46/02/30/374460230.db2.gz NJEGENOMMFBMHD-CVEARBPZSA-N 1 1 290.382 2.833 50 0 CFAAMO CC(C)c1ncc2c(n1)C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC000075133568 374461188 /nfs/dbraw/zinc/46/11/88/374461188.db2.gz DVVLLPORTAPZEL-AWEZNQCLSA-N 1 1 275.396 2.527 50 0 CFAAMO CC(C)c1ncc2c(n1)C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000075133568 374461195 /nfs/dbraw/zinc/46/11/95/374461195.db2.gz DVVLLPORTAPZEL-AWEZNQCLSA-N 1 1 275.396 2.527 50 0 CFAAMO COc1ccc(C[N@H+](C)CCC(F)(F)F)cc1O ZINC000078969100 374579132 /nfs/dbraw/zinc/57/91/32/374579132.db2.gz AWKPWICGRPOIIT-UHFFFAOYSA-N 1 1 263.259 2.785 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1O ZINC000078969100 374579139 /nfs/dbraw/zinc/57/91/39/374579139.db2.gz AWKPWICGRPOIIT-UHFFFAOYSA-N 1 1 263.259 2.785 50 0 CFAAMO COC[C@H]1CCC[N@H+](Cc2nc3c(cccc3F)[nH]2)C1 ZINC000079090977 374592448 /nfs/dbraw/zinc/59/24/48/374592448.db2.gz QNQBGZDRKAGXHF-NSHDSACASA-N 1 1 277.343 2.560 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2nc3c(cccc3F)[nH]2)C1 ZINC000079090977 374592455 /nfs/dbraw/zinc/59/24/55/374592455.db2.gz QNQBGZDRKAGXHF-NSHDSACASA-N 1 1 277.343 2.560 50 0 CFAAMO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)c(C)c1 ZINC000079029300 374584162 /nfs/dbraw/zinc/58/41/62/374584162.db2.gz ZNWUXVLYYLNGSQ-UHFFFAOYSA-N 1 1 276.361 2.808 50 0 CFAAMO c1cc(C[N@@H+]2CCSC3(CCCCC3)C2)no1 ZINC000079504853 374616601 /nfs/dbraw/zinc/61/66/01/374616601.db2.gz BTYVNRFQIZKSCK-UHFFFAOYSA-N 1 1 252.383 2.926 50 0 CFAAMO c1cc(C[N@H+]2CCSC3(CCCCC3)C2)no1 ZINC000079504853 374616608 /nfs/dbraw/zinc/61/66/08/374616608.db2.gz BTYVNRFQIZKSCK-UHFFFAOYSA-N 1 1 252.383 2.926 50 0 CFAAMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000083990528 374760906 /nfs/dbraw/zinc/76/09/06/374760906.db2.gz ZCQKGYIWJACGAT-CQSZACIVSA-N 1 1 278.421 2.503 50 0 CFAAMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000082098374 374727056 /nfs/dbraw/zinc/72/70/56/374727056.db2.gz LGSDAHKEYZLAHI-OAHLLOKOSA-N 1 1 285.391 2.808 50 0 CFAAMO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(C)C)CC2)C12CCC2 ZINC000087709186 374827574 /nfs/dbraw/zinc/82/75/74/374827574.db2.gz ATKRYHLUUZEZQF-CVEARBPZSA-N 1 1 280.456 2.797 50 0 CFAAMO CSCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000089688795 374937103 /nfs/dbraw/zinc/93/71/03/374937103.db2.gz KMNLDNYZEDYSMR-ZDUSSCGKSA-N 1 1 280.437 2.925 50 0 CFAAMO CSCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000089688795 374937109 /nfs/dbraw/zinc/93/71/09/374937109.db2.gz KMNLDNYZEDYSMR-ZDUSSCGKSA-N 1 1 280.437 2.925 50 0 CFAAMO CC(C)Cc1csc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000089856534 374961344 /nfs/dbraw/zinc/96/13/44/374961344.db2.gz LXFMPHCEZLNORT-CHWSQXEVSA-N 1 1 266.410 2.877 50 0 CFAAMO CC(C)c1noc([C@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)n1 ZINC000089893625 374965568 /nfs/dbraw/zinc/96/55/68/374965568.db2.gz HRNCQFHZFBZDRX-RYUDHWBXSA-N 1 1 289.383 2.618 50 0 CFAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1occc1-c1ccccc1 ZINC000089938287 374972108 /nfs/dbraw/zinc/97/21/08/374972108.db2.gz RKRVDGWWBGAYFO-ZDUSSCGKSA-N 1 1 284.359 2.723 50 0 CFAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1occc1-c1ccccc1 ZINC000089938287 374972119 /nfs/dbraw/zinc/97/21/19/374972119.db2.gz RKRVDGWWBGAYFO-ZDUSSCGKSA-N 1 1 284.359 2.723 50 0 CFAAMO O=C(C1CCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091847600 375066882 /nfs/dbraw/zinc/06/68/82/375066882.db2.gz AWXJYPZIRUCADE-FUHWJXTLSA-N 1 1 298.430 2.910 50 0 CFAAMO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1cnccn1 ZINC000092591409 375128427 /nfs/dbraw/zinc/12/84/27/375128427.db2.gz JXXKPJANXOZUDG-NSCUHMNNSA-N 1 1 257.312 2.761 50 0 CFAAMO C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1cnccn1 ZINC000092591409 375128433 /nfs/dbraw/zinc/12/84/33/375128433.db2.gz JXXKPJANXOZUDG-NSCUHMNNSA-N 1 1 257.312 2.761 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)F ZINC000092868947 375166320 /nfs/dbraw/zinc/16/63/20/375166320.db2.gz XVZOSEDNRRRQIS-CQSZACIVSA-N 1 1 292.398 2.858 50 0 CFAAMO O=C1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)CCN1 ZINC000093101895 375186299 /nfs/dbraw/zinc/18/62/99/375186299.db2.gz WKKCDGMYXXCJST-UHFFFAOYSA-N 1 1 286.400 2.737 50 0 CFAAMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000093870590 375325643 /nfs/dbraw/zinc/32/56/43/375325643.db2.gz JTUQRCLYYWGLBL-LBPRGKRZSA-N 1 1 291.345 2.763 50 0 CFAAMO CC(C)[N@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1C[C@H]1C ZINC000093661802 375291864 /nfs/dbraw/zinc/29/18/64/375291864.db2.gz XSTWVHVXNNCXSE-MNOVXSKESA-N 1 1 266.410 2.713 50 0 CFAAMO C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CCOC1 ZINC000093839673 375319375 /nfs/dbraw/zinc/31/93/75/375319375.db2.gz CYNRNBRQBRZBSI-LLVKDONJSA-N 1 1 289.297 2.895 50 0 CFAAMO C[N@H+](Cc1c(F)cccc1N1CCCC1)C[C@H]1CCOC1 ZINC000093840395 375321591 /nfs/dbraw/zinc/32/15/91/375321591.db2.gz OSCBFSJMKVPAIL-CQSZACIVSA-N 1 1 292.398 2.894 50 0 CFAAMO COC(=O)c1ccc(C[NH2+]Cc2ncc(C)s2)cc1 ZINC000095988291 375464989 /nfs/dbraw/zinc/46/49/89/375464989.db2.gz PQGISGUAPPSYHJ-UHFFFAOYSA-N 1 1 276.361 2.528 50 0 CFAAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC000095354355 375417690 /nfs/dbraw/zinc/41/76/90/375417690.db2.gz KBUYZXPOTNZMTJ-GXFFZTMASA-N 1 1 296.773 2.532 50 0 CFAAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC000095354355 375417697 /nfs/dbraw/zinc/41/76/97/375417697.db2.gz KBUYZXPOTNZMTJ-GXFFZTMASA-N 1 1 296.773 2.532 50 0 CFAAMO CNc1ccc(C[C@H]2COc3c(cccc3OC)C2)c[nH+]1 ZINC000095359621 375419630 /nfs/dbraw/zinc/41/96/30/375419630.db2.gz KZSROVOBOXPXCP-CYBMUJFWSA-N 1 1 284.359 2.926 50 0 CFAAMO Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000095367003 375421390 /nfs/dbraw/zinc/42/13/90/375421390.db2.gz GGBPPQBFTWLONI-ZDUSSCGKSA-N 1 1 288.420 2.923 50 0 CFAAMO CNc1cc(C)[nH+]c(C[C@@H]2COc3c(cccc3OC)C2)n1 ZINC000095369762 375423739 /nfs/dbraw/zinc/42/37/39/375423739.db2.gz DTDNVXPUJORDGW-GFCCVEGCSA-N 1 1 299.374 2.629 50 0 CFAAMO Cc1cc(C)c2c(ncnc2NCC[C@H]2CCC[N@@H+]2C)n1 ZINC000095379781 375425264 /nfs/dbraw/zinc/42/52/64/375425264.db2.gz UPMSNBCUNVKBGC-CYBMUJFWSA-N 1 1 285.395 2.538 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N[C@@H]1C=CCCC1 ZINC000095411209 375435991 /nfs/dbraw/zinc/43/59/91/375435991.db2.gz CKTMNZSQFZMRHW-CQSZACIVSA-N 1 1 267.417 2.515 50 0 CFAAMO CC(C)(C)[N@@H+](C/C=C/c1ccccc1)CCS(C)(=O)=O ZINC000095428218 375443892 /nfs/dbraw/zinc/44/38/92/375443892.db2.gz APDZKYBHTAKJEW-DHZHZOJOSA-N 1 1 295.448 2.845 50 0 CFAAMO CC(C)(C)[N@H+](C/C=C/c1ccccc1)CCS(C)(=O)=O ZINC000095428218 375443896 /nfs/dbraw/zinc/44/38/96/375443896.db2.gz APDZKYBHTAKJEW-DHZHZOJOSA-N 1 1 295.448 2.845 50 0 CFAAMO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000095434899 375447831 /nfs/dbraw/zinc/44/78/31/375447831.db2.gz MFWHXWPFJOZKPR-ILXRZTDVSA-N 1 1 293.455 2.548 50 0 CFAAMO COCCOc1ccc(-c2ccc(N)[nH+]c2C)cc1 ZINC000096166495 375473736 /nfs/dbraw/zinc/47/37/36/375473736.db2.gz IBKXELZVSZRZQQ-UHFFFAOYSA-N 1 1 258.321 2.664 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C)n1 ZINC000097142778 375530602 /nfs/dbraw/zinc/53/06/02/375530602.db2.gz MBVOOOYWNPZUBA-AWEZNQCLSA-N 1 1 299.378 2.591 50 0 CFAAMO Cc1cccc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)[nH+]1 ZINC000097163277 375535166 /nfs/dbraw/zinc/53/51/66/375535166.db2.gz IDUZEEPTXGGTSP-CQSZACIVSA-N 1 1 289.423 2.767 50 0 CFAAMO CCn1cc(C2CC[NH+](Cc3cc(C)on3)CC2)cn1 ZINC000097203567 375538795 /nfs/dbraw/zinc/53/87/95/375538795.db2.gz ZYZOHGXVFVNZSA-UHFFFAOYSA-N 1 1 274.368 2.579 50 0 CFAAMO COCc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000097032566 375496756 /nfs/dbraw/zinc/49/67/56/375496756.db2.gz UXDYJYJBCPTKSI-UHFFFAOYSA-N 1 1 297.402 2.550 50 0 CFAAMO CCn1nc(C)c(CNc2[nH+]c(C)ccc2OC)c1C ZINC000097045285 375500384 /nfs/dbraw/zinc/50/03/84/375500384.db2.gz MCEFUEXVSPYXTH-UHFFFAOYSA-N 1 1 274.368 2.844 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Cl)c(C)c2)C1 ZINC000097057438 375506091 /nfs/dbraw/zinc/50/60/91/375506091.db2.gz DWIJBNWMFDQPMB-OAHLLOKOSA-N 1 1 294.826 2.949 50 0 CFAAMO CC(=O)N1CCC[N@H+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000097084266 375510173 /nfs/dbraw/zinc/51/01/73/375510173.db2.gz GWLCWQLFGXOJCA-CQSZACIVSA-N 1 1 292.398 2.701 50 0 CFAAMO CC[N@H+]1CC[C@H](Nc2ccccc2COC)[C@H](C)C1 ZINC000097095650 375516712 /nfs/dbraw/zinc/51/67/12/375516712.db2.gz ISVQEAFERUVLQD-HIFRSBDPSA-N 1 1 262.397 2.975 50 0 CFAAMO CC1(C)C[C@@H]([NH2+]Cc2nc(-c3ccco3)no2)C(C)(C)O1 ZINC000097100417 375516782 /nfs/dbraw/zinc/51/67/82/375516782.db2.gz PLKWHVDKNNFLIS-LLVKDONJSA-N 1 1 291.351 2.765 50 0 CFAAMO Cc1[nH+]cn(CCOC(=O)Nc2ccccc2)c1C ZINC000097114286 375524281 /nfs/dbraw/zinc/52/42/81/375524281.db2.gz HTAFUWXIEKNZMT-UHFFFAOYSA-N 1 1 259.309 2.749 50 0 CFAAMO COCc1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000097113593 375525145 /nfs/dbraw/zinc/52/51/45/375525145.db2.gz PXFCRNIHSKFXLI-UHFFFAOYSA-N 1 1 256.349 2.860 50 0 CFAAMO Cn1ccnc1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000097139016 375527622 /nfs/dbraw/zinc/52/76/22/375527622.db2.gz RBZBLLIVYWIVBN-UHFFFAOYSA-N 1 1 254.337 2.533 50 0 CFAAMO Cn1ccnc1C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000097139016 375527626 /nfs/dbraw/zinc/52/76/26/375527626.db2.gz RBZBLLIVYWIVBN-UHFFFAOYSA-N 1 1 254.337 2.533 50 0 CFAAMO CN(Cc1n[nH]c2c1CCC2)Cc1cccc(F)c1 ZINC000097823230 375586534 /nfs/dbraw/zinc/58/65/34/375586534.db2.gz HSNJSFKYWYTEJK-UHFFFAOYSA-N 1 1 259.328 2.670 50 0 CFAAMO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1cccc(F)c1 ZINC000097823230 375586538 /nfs/dbraw/zinc/58/65/38/375586538.db2.gz HSNJSFKYWYTEJK-UHFFFAOYSA-N 1 1 259.328 2.670 50 0 CFAAMO C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1cccc(F)c1 ZINC000097823230 375586543 /nfs/dbraw/zinc/58/65/43/375586543.db2.gz HSNJSFKYWYTEJK-UHFFFAOYSA-N 1 1 259.328 2.670 50 0 CFAAMO CC1([C@H]2CCC[N@@H+](Cc3ccsc3)C2)OCCO1 ZINC000097373171 375553941 /nfs/dbraw/zinc/55/39/41/375553941.db2.gz BCQDNJLOBBPYJF-ZDUSSCGKSA-N 1 1 267.394 2.723 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)nc1 ZINC000097376958 375554959 /nfs/dbraw/zinc/55/49/59/375554959.db2.gz BAOYKEQOQKOULW-HNNXBMFYSA-N 1 1 284.407 2.578 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1cccc(Cl)c1F ZINC000097578662 375568315 /nfs/dbraw/zinc/56/83/15/375568315.db2.gz DLICXYKBBMAWGX-ZDUSSCGKSA-N 1 1 298.789 2.970 50 0 CFAAMO O=C1N[C@H]2CCC[C@@H]1C[N@@H+](Cc1c(F)cccc1Cl)C2 ZINC000097594790 375570265 /nfs/dbraw/zinc/57/02/65/375570265.db2.gz QOJWHVGPJCWYET-MNOVXSKESA-N 1 1 296.773 2.580 50 0 CFAAMO CCc1cccc2c(CC[NH2+]Cc3ccn[nH]3)c[nH]c21 ZINC000111397724 375843195 /nfs/dbraw/zinc/84/31/95/375843195.db2.gz NICNCJGMTZWDGR-UHFFFAOYSA-N 1 1 268.364 2.786 50 0 CFAAMO Fc1ccc(C[C@@H]2CC[N@@H+](CCn3ccnc3)C2)cc1 ZINC000131402303 377707060 /nfs/dbraw/zinc/70/70/60/377707060.db2.gz QDRXATSKMKYXIS-HNNXBMFYSA-N 1 1 273.355 2.587 50 0 CFAAMO Cc1[nH+]cn(CCCS(=O)(=O)c2cccc(C)c2)c1C ZINC000165096388 379032114 /nfs/dbraw/zinc/03/21/14/379032114.db2.gz HGROAPQAPWILMC-UHFFFAOYSA-N 1 1 292.404 2.672 50 0 CFAAMO CCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000048299717 412902597 /nfs/dbraw/zinc/90/25/97/412902597.db2.gz WYKVJNAVAQETJM-UHFFFAOYSA-N 1 1 296.330 2.983 50 0 CFAAMO C(Cc1noc([C@@H]2CCCC[NH2+]2)n1)OCC1CCCC1 ZINC000169676520 379107748 /nfs/dbraw/zinc/10/77/48/379107748.db2.gz BAHJLSHXNNIUIQ-ZDUSSCGKSA-N 1 1 279.384 2.634 50 0 CFAAMO O=C(Nc1ccncc1[O-])[C@@H]1SCCc2sccc21 ZINC000170593637 379121222 /nfs/dbraw/zinc/12/12/22/379121222.db2.gz LOUPIHJRLPXIKW-GFCCVEGCSA-N 1 1 292.385 2.818 50 0 CFAAMO C[N@@H+](CCCOCc1ccccc1)Cc1cnccn1 ZINC000170594620 379122615 /nfs/dbraw/zinc/12/26/15/379122615.db2.gz QQPZTGKPZPBQKV-UHFFFAOYSA-N 1 1 271.364 2.515 50 0 CFAAMO Cc1cc([C@@H]2C[N@@H+](C[C@H]3CCOC3)CCO2)ccc1F ZINC000334391922 379215727 /nfs/dbraw/zinc/21/57/27/379215727.db2.gz WJUZHVWHEBGVAF-CJNGLKHVSA-N 1 1 279.355 2.544 50 0 CFAAMO CCn1c(C)nnc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173838761 379786784 /nfs/dbraw/zinc/78/67/84/379786784.db2.gz NDJMBNHVDGZULR-HNNXBMFYSA-N 1 1 292.427 2.530 50 0 CFAAMO CCn1c(C)nnc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173838761 379786787 /nfs/dbraw/zinc/78/67/87/379786787.db2.gz NDJMBNHVDGZULR-HNNXBMFYSA-N 1 1 292.427 2.530 50 0 CFAAMO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nccn1C ZINC000180414283 380655210 /nfs/dbraw/zinc/65/52/10/380655210.db2.gz BEUONARJECTSRQ-CYBMUJFWSA-N 1 1 295.390 2.671 50 0 CFAAMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(C1)CCCCCC2 ZINC000370197466 381404138 /nfs/dbraw/zinc/40/41/38/381404138.db2.gz MGVFVYFKLOHEIJ-ZDUSSCGKSA-N 1 1 252.402 2.509 50 0 CFAAMO CCc1nc(N2CC[C@H](OCCC(C)C)C2)cc(C)[nH+]1 ZINC000342577155 381408576 /nfs/dbraw/zinc/40/85/76/381408576.db2.gz QIIBETGRQOJWFH-AWEZNQCLSA-N 1 1 277.412 2.989 50 0 CFAAMO c1cnn(CC[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000299763364 382044241 /nfs/dbraw/zinc/04/42/41/382044241.db2.gz ZTHLVHADICFCPS-MRXNPFEDSA-N 1 1 255.365 2.763 50 0 CFAAMO Cc1[nH+]ccn1CCN(C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000299783092 382046552 /nfs/dbraw/zinc/04/65/52/382046552.db2.gz NVAYXLZAUWJQIB-UHFFFAOYSA-N 1 1 298.390 2.844 50 0 CFAAMO COCC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1 ZINC000299799602 382050651 /nfs/dbraw/zinc/05/06/51/382050651.db2.gz SVPLYXBAFCRKBL-LBPRGKRZSA-N 1 1 294.370 2.511 50 0 CFAAMO CC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)C[C@@H](C)O ZINC000352213744 382230508 /nfs/dbraw/zinc/23/05/08/382230508.db2.gz WGXOBXAXWPRGHI-CYBMUJFWSA-N 1 1 274.364 2.853 50 0 CFAAMO CCC[C@]1(CO)CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000377491918 382276428 /nfs/dbraw/zinc/27/64/28/382276428.db2.gz ONGTVGVTDOLLNQ-INIZCTEOSA-N 1 1 292.354 2.951 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccon1 ZINC000189480604 382614721 /nfs/dbraw/zinc/61/47/21/382614721.db2.gz GBNLBORSVYBLKZ-CHWSQXEVSA-N 1 1 295.383 2.600 50 0 CFAAMO OC[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccco1 ZINC000195546049 382769815 /nfs/dbraw/zinc/76/98/15/382769815.db2.gz PKZZMWUEXSTBLZ-LBPRGKRZSA-N 1 1 269.703 2.895 50 0 CFAAMO CCc1nccc(C[N@@H+](C)CC[C@@H](O)c2ccccc2)n1 ZINC000215072907 382777392 /nfs/dbraw/zinc/77/73/92/382777392.db2.gz GMDPVEGQLOMJCI-MRXNPFEDSA-N 1 1 285.391 2.595 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@H+](C)CCCn1cccn1 ZINC000215396775 382778612 /nfs/dbraw/zinc/77/86/12/382778612.db2.gz ZFDARYJVSAOOHT-UHFFFAOYSA-N 1 1 295.333 2.692 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@@H+](C)CCCn1cccn1 ZINC000215396775 382778615 /nfs/dbraw/zinc/77/86/15/382778615.db2.gz ZFDARYJVSAOOHT-UHFFFAOYSA-N 1 1 295.333 2.692 50 0 CFAAMO CSc1ccccc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000215321735 382778714 /nfs/dbraw/zinc/77/87/14/382778714.db2.gz DLQSWMANKULAKF-CYBMUJFWSA-N 1 1 288.420 2.906 50 0 CFAAMO Cc1cc(Cl)cc2c(N[C@@H]3COCC[C@H]3O)cc[nH+]c12 ZINC000219618899 382794760 /nfs/dbraw/zinc/79/47/60/382794760.db2.gz DVRHWJHAHAPNAP-ZIAGYGMSSA-N 1 1 292.766 2.758 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)CCCc2nccn2C)cs1 ZINC000215456749 382779060 /nfs/dbraw/zinc/77/90/60/382779060.db2.gz JQBRRXCOBHHIFS-UHFFFAOYSA-N 1 1 291.420 2.749 50 0 CFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(Cl)o1 ZINC000215468019 382779214 /nfs/dbraw/zinc/77/92/14/382779214.db2.gz UFIPAPSCCOXKNQ-SNVBAGLBSA-N 1 1 265.744 2.786 50 0 CFAAMO C[N@@H+](CCn1cccn1)Cc1ccc([C@H]2CCCO2)s1 ZINC000215734660 382780276 /nfs/dbraw/zinc/78/02/76/382780276.db2.gz NAPUUPZNNRYNFD-CQSZACIVSA-N 1 1 291.420 2.928 50 0 CFAAMO CCn1ncnc1C[N@@H+]1CCC[C@H](c2cccc(C)c2)C1 ZINC000215891067 382780851 /nfs/dbraw/zinc/78/08/51/382780851.db2.gz ORETXOMUBVXIBW-INIZCTEOSA-N 1 1 284.407 2.986 50 0 CFAAMO CCn1ncnc1C[N@H+]1CCC[C@H](c2cccc(C)c2)C1 ZINC000215891067 382780852 /nfs/dbraw/zinc/78/08/52/382780852.db2.gz ORETXOMUBVXIBW-INIZCTEOSA-N 1 1 284.407 2.986 50 0 CFAAMO Cc1nccn1CC[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000215911412 382781240 /nfs/dbraw/zinc/78/12/40/382781240.db2.gz XVPVNXRQAPZQFS-UHFFFAOYSA-N 1 1 268.364 2.805 50 0 CFAAMO CSc1ncc(C[N@@H+](C)CC[C@@H]2CCCCO2)cn1 ZINC000216149315 382781822 /nfs/dbraw/zinc/78/18/22/382781822.db2.gz FBWQSGKRXROVLS-ZDUSSCGKSA-N 1 1 281.425 2.590 50 0 CFAAMO CC[N@@H+](Cc1cnc(C(C)C)nc1)C1CCOCC1 ZINC000216092666 382781878 /nfs/dbraw/zinc/78/18/78/382781878.db2.gz FRODMXAJBJVJKL-UHFFFAOYSA-N 1 1 263.385 2.601 50 0 CFAAMO CN(Cc1cscn1)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000216276873 382782541 /nfs/dbraw/zinc/78/25/41/382782541.db2.gz CENBLNVQXLTMSM-INIZCTEOSA-N 1 1 287.432 2.632 50 0 CFAAMO COc1cc(Cl)c(C[N@@H+]2CCCC[C@@H]2CO)cc1OC ZINC000216494529 382783541 /nfs/dbraw/zinc/78/35/41/382783541.db2.gz QXMVAADDDXNHLM-GFCCVEGCSA-N 1 1 299.798 2.704 50 0 CFAAMO COc1cc(Cl)c(C[N@H+]2CCCC[C@@H]2CO)cc1OC ZINC000216494529 382783544 /nfs/dbraw/zinc/78/35/44/382783544.db2.gz QXMVAADDDXNHLM-GFCCVEGCSA-N 1 1 299.798 2.704 50 0 CFAAMO CC(C)c1nccc(C[N@H+](C)Cc2ccc3nonc3c2)n1 ZINC000216513412 382783646 /nfs/dbraw/zinc/78/36/46/382783646.db2.gz LPSXUGKOTPEQDD-UHFFFAOYSA-N 1 1 297.362 2.768 50 0 CFAAMO CC(C)c1nccc(C[N@@H+](C)Cc2ccc3nonc3c2)n1 ZINC000216513412 382783648 /nfs/dbraw/zinc/78/36/48/382783648.db2.gz LPSXUGKOTPEQDD-UHFFFAOYSA-N 1 1 297.362 2.768 50 0 CFAAMO C=Cn1cc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000194675785 382751797 /nfs/dbraw/zinc/75/17/97/382751797.db2.gz CSYWEWOHDQMPAE-CZUORRHYSA-N 1 1 268.364 2.962 50 0 CFAAMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nccs2)C1 ZINC000194876845 382757075 /nfs/dbraw/zinc/75/70/75/382757075.db2.gz OOAVGDYJWLQDQZ-AWEZNQCLSA-N 1 1 282.409 2.554 50 0 CFAAMO C[C@@H](C[N@@H+](C)Cc1cccc(C(=O)[O-])c1)C[NH+]1CCCC1 ZINC000219308365 382793325 /nfs/dbraw/zinc/79/33/25/382793325.db2.gz PGXRQANREHUEJZ-AWEZNQCLSA-N 1 1 290.407 2.549 50 0 CFAAMO CCc1ncc(C[N@@H+](C)CCc2ccccc2)cn1 ZINC000223683582 382806109 /nfs/dbraw/zinc/80/61/09/382806109.db2.gz XJVKESZUCRNRNT-UHFFFAOYSA-N 1 1 255.365 2.714 50 0 CFAAMO COC(C[N@H+]1CC=C(c2c(F)cccc2F)CC1)OC ZINC000225452981 382816279 /nfs/dbraw/zinc/81/62/79/382816279.db2.gz GYYNUVVGZDNBQM-UHFFFAOYSA-N 1 1 283.318 2.673 50 0 CFAAMO COC(C[N@@H+]1CC=C(c2c(F)cccc2F)CC1)OC ZINC000225452981 382816281 /nfs/dbraw/zinc/81/62/81/382816281.db2.gz GYYNUVVGZDNBQM-UHFFFAOYSA-N 1 1 283.318 2.673 50 0 CFAAMO C[N@@H+](CCCc1cccnc1)Cc1cnc2ccccn12 ZINC000241081900 382982440 /nfs/dbraw/zinc/98/24/40/382982440.db2.gz YSDLHEGXZZSJHO-UHFFFAOYSA-N 1 1 280.375 2.794 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1nccs1 ZINC000240662542 382982713 /nfs/dbraw/zinc/98/27/13/382982713.db2.gz PLZDPSMMNNTGGU-LLVKDONJSA-N 1 1 291.376 2.902 50 0 CFAAMO Cc1nc([C@H]2CCCC[NH2+]2)ncc1C(=O)Nc1ccccc1 ZINC000242620202 382986607 /nfs/dbraw/zinc/98/66/07/382986607.db2.gz PXZZBGURPCTYTO-OAHLLOKOSA-N 1 1 296.374 2.852 50 0 CFAAMO Cc1nc(CC[N@H+]2CCCC3(CCOCC3)C2)cs1 ZINC000243901552 382988206 /nfs/dbraw/zinc/98/82/06/382988206.db2.gz BCIYSDFUBIQJCQ-UHFFFAOYSA-N 1 1 280.437 2.887 50 0 CFAAMO CNC(=O)C(C)(C)[N@H+](C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000243932126 382988574 /nfs/dbraw/zinc/98/85/74/382988574.db2.gz BTCWSRHACSYRTJ-LBPRGKRZSA-N 1 1 296.436 2.556 50 0 CFAAMO CNC(=O)C(C)(C)[N@@H+](C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000243932126 382988577 /nfs/dbraw/zinc/98/85/77/382988577.db2.gz BTCWSRHACSYRTJ-LBPRGKRZSA-N 1 1 296.436 2.556 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@H+](C3CCSCC3)C2)n1 ZINC000244633480 382989160 /nfs/dbraw/zinc/98/91/60/382989160.db2.gz GDRRUAXHDZFXIR-AWEZNQCLSA-N 1 1 265.426 2.642 50 0 CFAAMO C[N@@H+](CCCc1cccnc1)CC[C@H]1CCCCO1 ZINC000244691794 382989915 /nfs/dbraw/zinc/98/99/15/382989915.db2.gz JJLTYPPWJFOJGC-MRXNPFEDSA-N 1 1 262.397 2.905 50 0 CFAAMO CC[C@@H](c1ccccn1)[N@@H+](C)CCn1nccc1C ZINC000244774115 382992263 /nfs/dbraw/zinc/99/22/63/382992263.db2.gz POFYQBIKEHNRNO-HNNXBMFYSA-N 1 1 258.369 2.670 50 0 CFAAMO COC[C@H]1CC[N@@H+](CCOc2cccc(OC(C)C)c2)C1 ZINC000244831544 382993184 /nfs/dbraw/zinc/99/31/84/382993184.db2.gz UFTAPUCYNHNPGE-HNNXBMFYSA-N 1 1 293.407 2.821 50 0 CFAAMO CCO[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc(C)c(F)c1 ZINC000244884337 382994452 /nfs/dbraw/zinc/99/44/52/382994452.db2.gz YKKIKDXOXCEUSY-CYBMUJFWSA-N 1 1 296.386 2.820 50 0 CFAAMO CCC1=NO[C@H](CN(C)Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000244884401 382994766 /nfs/dbraw/zinc/99/47/66/382994766.db2.gz YLSHENCVOFEDBB-LBPRGKRZSA-N 1 1 290.342 2.689 50 0 CFAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)NCc1ccccc1 ZINC000245237022 382996939 /nfs/dbraw/zinc/99/69/39/382996939.db2.gz BYKVMQDUMHOPGC-SJORKVTESA-N 1 1 286.419 2.815 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000245238005 382997114 /nfs/dbraw/zinc/99/71/14/382997114.db2.gz CESFOVNVFNXRAX-WOSRLPQWSA-N 1 1 261.365 2.849 50 0 CFAAMO C[N@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000245316832 382997630 /nfs/dbraw/zinc/99/76/30/382997630.db2.gz KTAROAHTJXIZDY-IAGOWNOFSA-N 1 1 299.418 2.667 50 0 CFAAMO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000245316832 382997633 /nfs/dbraw/zinc/99/76/33/382997633.db2.gz KTAROAHTJXIZDY-IAGOWNOFSA-N 1 1 299.418 2.667 50 0 CFAAMO C[C@@H](NCc1ccns1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117774 383115438 /nfs/dbraw/zinc/11/54/38/383115438.db2.gz WJNMCDGBJXWADE-DOMZBBRYSA-N 1 1 275.421 2.924 50 0 CFAAMO O[C@H](C[N@@H+]1CCO[C@H]2CCCC[C@H]21)c1ccc(F)c(F)c1 ZINC000247754376 383194989 /nfs/dbraw/zinc/19/49/89/383194989.db2.gz CQBXLOKIOYENSS-OAGGEKHMSA-N 1 1 297.345 2.642 50 0 CFAAMO O[C@H](C[N@H+]1CCO[C@H]2CCCC[C@H]21)c1ccc(F)c(F)c1 ZINC000247754376 383194992 /nfs/dbraw/zinc/19/49/92/383194992.db2.gz CQBXLOKIOYENSS-OAGGEKHMSA-N 1 1 297.345 2.642 50 0 CFAAMO Cc1csc(N2CC[N@H+](C[C@H]3CCCCO3)C[C@H]2C)n1 ZINC000247972379 383203834 /nfs/dbraw/zinc/20/38/34/383203834.db2.gz SWXIVJQPSWWEPU-ZIAGYGMSSA-N 1 1 295.452 2.531 50 0 CFAAMO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000248001948 383206521 /nfs/dbraw/zinc/20/65/21/383206521.db2.gz OBJGQKDFHUGAFB-NEPJUHHUSA-N 1 1 294.361 2.956 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000248032404 383207657 /nfs/dbraw/zinc/20/76/57/383207657.db2.gz MDALECPGBHVTDH-CHWSQXEVSA-N 1 1 293.436 2.540 50 0 CFAAMO Cc1nnc([C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000247169775 383149949 /nfs/dbraw/zinc/14/99/49/383149949.db2.gz RBKXOLYSNQHGPO-HOTGVXAUSA-N 1 1 298.390 2.564 50 0 CFAAMO Cc1nnc([C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000247169775 383149951 /nfs/dbraw/zinc/14/99/51/383149951.db2.gz RBKXOLYSNQHGPO-HOTGVXAUSA-N 1 1 298.390 2.564 50 0 CFAAMO Cc1cccc(C[N@@H+](CCc2cn[nH]c2)C[C@H]2CCCO2)c1 ZINC000252506640 383415262 /nfs/dbraw/zinc/41/52/62/383415262.db2.gz WBWFMNZGFRWNSZ-GOSISDBHSA-N 1 1 299.418 2.942 50 0 CFAAMO CCC1=NO[C@H](C[N@@H+](C)Cc2ccccc2-n2cccn2)C1 ZINC000252481673 383411570 /nfs/dbraw/zinc/41/15/70/383411570.db2.gz CQFIKXHXZKDGDL-INIZCTEOSA-N 1 1 298.390 2.859 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000249691127 383355913 /nfs/dbraw/zinc/35/59/13/383355913.db2.gz LBYAHKCQUBZAAZ-BZUAXINKSA-N 1 1 276.424 2.818 50 0 CFAAMO Cc1cccc(C[N@@H+](CCc2cn[nH]c2)C[C@@H]2CCCO2)c1 ZINC000252506641 383415022 /nfs/dbraw/zinc/41/50/22/383415022.db2.gz WBWFMNZGFRWNSZ-SFHVURJKSA-N 1 1 299.418 2.942 50 0 CFAAMO CCCCS[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252666270 383425317 /nfs/dbraw/zinc/42/53/17/383425317.db2.gz AYCSBRRAJSYVPB-YRGRVCCFSA-N 1 1 284.469 2.507 50 0 CFAAMO COC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000253425514 383458421 /nfs/dbraw/zinc/45/84/21/383458421.db2.gz DBXOQPXMVOJYNM-ZDUSSCGKSA-N 1 1 279.355 2.991 50 0 CFAAMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000253432412 383459674 /nfs/dbraw/zinc/45/96/74/383459674.db2.gz YYMZOAOKBYQABS-KNPMLCFXSA-N 1 1 272.392 2.549 50 0 CFAAMO CCc1nsc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000253431351 383459894 /nfs/dbraw/zinc/45/98/94/383459894.db2.gz ZRXBKFJISWOBID-YPMHNXCESA-N 1 1 292.452 2.554 50 0 CFAAMO CCc1nsc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000253431340 383460114 /nfs/dbraw/zinc/46/01/14/383460114.db2.gz ZRXBKFJISWOBID-AAEUAGOBSA-N 1 1 292.452 2.554 50 0 CFAAMO C[C@H](C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C)c1ccc(F)cc1 ZINC000252536970 383418416 /nfs/dbraw/zinc/41/84/16/383418416.db2.gz JZVUKUSEOAQEGK-YRGRVCCFSA-N 1 1 278.371 2.515 50 0 CFAAMO C[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000280316381 384972596 /nfs/dbraw/zinc/97/25/96/384972596.db2.gz QBVIORNWMHXDDX-WFASDCNBSA-N 1 1 281.783 2.720 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000280316381 384972606 /nfs/dbraw/zinc/97/26/06/384972606.db2.gz QBVIORNWMHXDDX-WFASDCNBSA-N 1 1 281.783 2.720 50 0 CFAAMO C[N@@H+]1CCO[C@@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286386696 385605343 /nfs/dbraw/zinc/60/53/43/385605343.db2.gz SUHBTGHAMRNUJF-NSHDSACASA-N 1 1 291.782 2.631 50 0 CFAAMO C[N@H+]1CCO[C@@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286386696 385605346 /nfs/dbraw/zinc/60/53/46/385605346.db2.gz SUHBTGHAMRNUJF-NSHDSACASA-N 1 1 291.782 2.631 50 0 CFAAMO O=c1cc(C[N@@H+](C2CC2)C2CCCC2)nc2ccccn12 ZINC000057619692 285216583 /nfs/dbraw/zinc/21/65/83/285216583.db2.gz CEISIECZJJZBAO-UHFFFAOYSA-N 1 1 283.375 2.602 50 0 CFAAMO c1[nH]nc2cccc(-c3nc([C@@H]4CCCCC[NH2+]4)no3)c12 ZINC000096001580 256883304 /nfs/dbraw/zinc/88/33/04/256883304.db2.gz DLLJFMPCSMQFMM-ZDUSSCGKSA-N 1 1 283.335 2.818 50 0 CFAAMO COc1ccc(C2(CNc3nc(N)cc[nH+]3)CCCC2)cc1 ZINC000824655192 781994445 /nfs/dbraw/zinc/99/44/45/781994445.db2.gz XAUZEAKAHVNLAE-UHFFFAOYSA-N 1 1 298.390 2.991 50 0 CFAAMO CCCc1noc(C[N@H+](CC2CCC2)C[C@H]2CCCO2)n1 ZINC000012752427 393475618 /nfs/dbraw/zinc/47/56/18/393475618.db2.gz AINUODGHLQMHCH-CQSZACIVSA-N 1 1 293.411 2.803 50 0 CFAAMO CCCc1noc(C[N@@H+](CC2CCC2)C[C@H]2CCCO2)n1 ZINC000012752427 393475626 /nfs/dbraw/zinc/47/56/26/393475626.db2.gz AINUODGHLQMHCH-CQSZACIVSA-N 1 1 293.411 2.803 50 0 CFAAMO CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000067920192 393634285 /nfs/dbraw/zinc/63/42/85/393634285.db2.gz HQLQWMJMNWSXQH-HNNXBMFYSA-N 1 1 290.455 2.710 50 0 CFAAMO CC(C)C[NH+]1CCC(N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000067920192 393634292 /nfs/dbraw/zinc/63/42/92/393634292.db2.gz HQLQWMJMNWSXQH-HNNXBMFYSA-N 1 1 290.455 2.710 50 0 CFAAMO Cn1cc(C[N@H+]2CCSC3(CCCCC3)C2)cn1 ZINC000095964231 393814767 /nfs/dbraw/zinc/81/47/67/393814767.db2.gz BTSSWKJCJLQSMY-UHFFFAOYSA-N 1 1 265.426 2.672 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000096419595 393827088 /nfs/dbraw/zinc/82/70/88/393827088.db2.gz WRPOQXMUIWWKHA-UHFFFAOYSA-N 1 1 290.407 2.823 50 0 CFAAMO CC[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106135237 393866674 /nfs/dbraw/zinc/86/66/74/393866674.db2.gz YRRYCOUBMRQLGX-SQWLQELKSA-N 1 1 274.408 2.984 50 0 CFAAMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ccc(F)cc4n3)[C@H]2C1 ZINC000252510651 393937171 /nfs/dbraw/zinc/93/71/71/393937171.db2.gz BBTOBVZBLRCIPD-CJNGLKHVSA-N 1 1 285.366 2.904 50 0 CFAAMO C[C@H]1CCN(c2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000266198400 393980321 /nfs/dbraw/zinc/98/03/21/393980321.db2.gz INXNERIAPVQRCT-HNNXBMFYSA-N 1 1 282.391 2.577 50 0 CFAAMO Cc1cc[nH+]c(N2CCC[C@](CO)(CC3CC3)C2)c1 ZINC000092077932 135075165 /nfs/dbraw/zinc/07/51/65/135075165.db2.gz WVJFAQKAPKAWSN-INIZCTEOSA-N 1 1 260.381 2.769 50 0 CFAAMO Fc1ccc(/C=C\C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000538810386 394616199 /nfs/dbraw/zinc/61/61/99/394616199.db2.gz LNKHYSLOIVYXTE-UPHRSURJSA-N 1 1 291.366 2.720 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C/C(C)=C\c2ccccc2)C1 ZINC000538794254 394616257 /nfs/dbraw/zinc/61/62/57/394616257.db2.gz QEHOGCUKJFBNBI-VHUCWBOISA-N 1 1 286.419 2.890 50 0 CFAAMO CCC(C)(C)OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008844684 397536648 /nfs/dbraw/zinc/53/66/48/397536648.db2.gz VYRKPHWIIBNPNU-HZSPNIEDSA-N 1 1 257.418 2.530 50 0 CFAAMO COc1cc(C[NH+]2CCSCC2)ccc1OC(F)F ZINC000047993813 397589149 /nfs/dbraw/zinc/58/91/49/397589149.db2.gz SUBGIGBLDXHRMX-UHFFFAOYSA-N 1 1 289.347 2.845 50 0 CFAAMO C[N@@H+]1CCN(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C1 ZINC000048347465 397589207 /nfs/dbraw/zinc/58/92/07/397589207.db2.gz FUDHKVRNKUXEAO-HNNXBMFYSA-N 1 1 296.374 2.602 50 0 CFAAMO C[N@H+]1CCN(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C1 ZINC000048347465 397589208 /nfs/dbraw/zinc/58/92/08/397589208.db2.gz FUDHKVRNKUXEAO-HNNXBMFYSA-N 1 1 296.374 2.602 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000215281888 397619239 /nfs/dbraw/zinc/61/92/39/397619239.db2.gz DQCFCTZOXMTSIT-QGZVFWFLSA-N 1 1 285.391 2.542 50 0 CFAAMO CSc1nc(NC2(c3ccccc3)CC2)cc(N)[nH+]1 ZINC000824954684 781999906 /nfs/dbraw/zinc/99/99/06/781999906.db2.gz BXDFWCWMZKYPBS-UHFFFAOYSA-N 1 1 272.377 2.882 50 0 CFAAMO CSc1nc(N)cc(NC2(c3ccccc3)CC2)[nH+]1 ZINC000824954684 781999910 /nfs/dbraw/zinc/99/99/10/781999910.db2.gz BXDFWCWMZKYPBS-UHFFFAOYSA-N 1 1 272.377 2.882 50 0 CFAAMO Cc1cccc2nc(CC[NH2+][C@@H]3CCSC3)[nH]c21 ZINC000825230904 782006930 /nfs/dbraw/zinc/00/69/30/782006930.db2.gz SHDQBXNNSFSKDL-LLVKDONJSA-N 1 1 261.394 2.509 50 0 CFAAMO Cc1ccc2[nH]c(C(C)(C)C[NH+]3CCOCC3)nc2c1C ZINC000055393317 292388615 /nfs/dbraw/zinc/38/86/15/292388615.db2.gz PDCREJSPAOHGAR-UHFFFAOYSA-N 1 1 287.407 2.790 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCCOc2ccccc2C=O)C1 ZINC000004840956 170027588 /nfs/dbraw/zinc/02/75/88/170027588.db2.gz NFZNCLYYQZNOCZ-AWEZNQCLSA-N 1 1 261.365 3.000 50 0 CFAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(O)c1)CC2 ZINC000004977483 170048345 /nfs/dbraw/zinc/04/83/45/170048345.db2.gz DCBQCVDDNKSIMW-UHFFFAOYSA-N 1 1 299.370 2.968 50 0 CFAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(O)c1)CC2 ZINC000004977483 170048347 /nfs/dbraw/zinc/04/83/47/170048347.db2.gz DCBQCVDDNKSIMW-UHFFFAOYSA-N 1 1 299.370 2.968 50 0 CFAAMO C[N@@H+](C[C@H](O)COc1ccccc1F)C1CCCCC1 ZINC000004993544 170051457 /nfs/dbraw/zinc/05/14/57/170051457.db2.gz WNNCLIQBKNSDEV-AWEZNQCLSA-N 1 1 281.371 2.830 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000005051405 170061504 /nfs/dbraw/zinc/06/15/04/170061504.db2.gz ULKRONYQGUYPJU-UXLLHSPISA-N 1 1 277.408 2.542 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000005346264 170088475 /nfs/dbraw/zinc/08/84/75/170088475.db2.gz SZSKDUNETSHZNC-ZDUSSCGKSA-N 1 1 289.354 2.521 50 0 CFAAMO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000006552395 170212889 /nfs/dbraw/zinc/21/28/89/170212889.db2.gz IEFNGVYWEVNVNZ-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000006552395 170212890 /nfs/dbraw/zinc/21/28/90/170212890.db2.gz IEFNGVYWEVNVNZ-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000006702448 170229855 /nfs/dbraw/zinc/22/98/55/170229855.db2.gz OEAFBQXHXIYMAR-HNNXBMFYSA-N 1 1 291.391 2.649 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000006725895 170232706 /nfs/dbraw/zinc/23/27/06/170232706.db2.gz ZLLPOVPZPSDAHK-UHFFFAOYSA-N 1 1 297.786 2.518 50 0 CFAAMO C[C@@H]1C[C@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)[N@H+]1C ZINC000007997682 170313186 /nfs/dbraw/zinc/31/31/86/170313186.db2.gz QSAVEGSLJISCDF-SNPRPXQTSA-N 1 1 291.391 2.525 50 0 in-man CFAAMO CC[NH+]1CCN(C(=O)c2ccccc2SC(C)C)CC1 ZINC000008050871 170316342 /nfs/dbraw/zinc/31/63/42/170316342.db2.gz FVRPXMATZNIYBK-UHFFFAOYSA-N 1 1 292.448 2.965 50 0 CFAAMO C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCCCCC1 ZINC000008119185 170319787 /nfs/dbraw/zinc/31/97/87/170319787.db2.gz ICGJNTPWOLUMJC-NSHDSACASA-N 1 1 281.787 2.938 50 0 CFAAMO Cc1cc(C)c(C(N)=O)c(NCCc2ccc(F)cc2)[nH+]1 ZINC000008761950 170354715 /nfs/dbraw/zinc/35/47/15/170354715.db2.gz KDYRYLLIQXNTRX-UHFFFAOYSA-N 1 1 287.338 2.591 50 0 CFAAMO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000020356316 171157099 /nfs/dbraw/zinc/15/70/99/171157099.db2.gz OFLNYFUTJBYDBD-OAHLLOKOSA-N 1 1 288.435 2.763 50 0 CFAAMO Cc1cccc(C)c1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020458506 171209036 /nfs/dbraw/zinc/20/90/36/171209036.db2.gz QMSHNUMEWJZVDT-GASCZTMLSA-N 1 1 290.407 2.741 50 0 CFAAMO CC(=O)c1cccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020639231 171268812 /nfs/dbraw/zinc/26/88/12/171268812.db2.gz BOTQWJXDDAYMGN-KBPBESRZSA-N 1 1 291.391 2.767 50 0 CFAAMO CCCCOc1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000020653021 171268814 /nfs/dbraw/zinc/26/88/14/171268814.db2.gz XNAAAEJZYQFTFW-UHFFFAOYSA-N 1 1 293.407 2.967 50 0 CFAAMO O=C(CCCN1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000020792463 171272810 /nfs/dbraw/zinc/27/28/10/171272810.db2.gz PQLYZHNINGGVMB-MRXNPFEDSA-N 1 1 290.382 2.569 50 0 in-man CFAAMO C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@H]1CCCO1 ZINC000020915352 171280098 /nfs/dbraw/zinc/28/00/98/171280098.db2.gz WPLWMFFKZBPJOW-OAHLLOKOSA-N 1 1 271.364 2.688 50 0 CFAAMO C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@H]1CCCO1 ZINC000020915352 171280099 /nfs/dbraw/zinc/28/00/99/171280099.db2.gz WPLWMFFKZBPJOW-OAHLLOKOSA-N 1 1 271.364 2.688 50 0 CFAAMO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@H]1CCCO1 ZINC000020915352 171280101 /nfs/dbraw/zinc/28/01/01/171280101.db2.gz WPLWMFFKZBPJOW-OAHLLOKOSA-N 1 1 271.364 2.688 50 0 CFAAMO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@H]1CCCO1 ZINC000020915352 171280102 /nfs/dbraw/zinc/28/01/02/171280102.db2.gz WPLWMFFKZBPJOW-OAHLLOKOSA-N 1 1 271.364 2.688 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000020941321 171281778 /nfs/dbraw/zinc/28/17/78/171281778.db2.gz ZTXMAFUMHATAEG-CQSZACIVSA-N 1 1 274.389 2.767 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000020941321 171281779 /nfs/dbraw/zinc/28/17/79/171281779.db2.gz ZTXMAFUMHATAEG-CQSZACIVSA-N 1 1 274.389 2.767 50 0 CFAAMO C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000022113755 171353018 /nfs/dbraw/zinc/35/30/18/171353018.db2.gz JCGKNAFPLNQLDQ-TZMCWYRMSA-N 1 1 276.380 2.957 50 0 CFAAMO C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000022455179 171388222 /nfs/dbraw/zinc/38/82/22/171388222.db2.gz ACGFNPWIRRMPMD-LBPRGKRZSA-N 1 1 286.341 2.884 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccco1 ZINC000035139203 172006987 /nfs/dbraw/zinc/00/69/87/172006987.db2.gz JMDASRLLPPSZRH-NEPJUHHUSA-N 1 1 264.369 2.768 50 0 CFAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CCCCCC1 ZINC000040023419 174183302 /nfs/dbraw/zinc/18/33/02/174183302.db2.gz PUARVAQGUHJZTM-UHFFFAOYSA-N 1 1 260.381 2.940 50 0 CFAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000040088356 174188655 /nfs/dbraw/zinc/18/86/55/174188655.db2.gz BKXVOJCURDETSW-LLVKDONJSA-N 1 1 293.798 2.946 50 0 CFAAMO COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533354 175197897 /nfs/dbraw/zinc/19/78/97/175197897.db2.gz VFETUJSFKPCWAY-HUUCEWRRSA-N 1 1 276.424 2.558 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000044866718 175267645 /nfs/dbraw/zinc/26/76/45/175267645.db2.gz LHIIWSZSBBRDDG-OLZOCXBDSA-N 1 1 269.410 2.500 50 0 CFAAMO Cc1nc([C@@H](C)Nc2nc(N(C)C)c(C)c[nH+]2)cs1 ZINC000065500718 175744572 /nfs/dbraw/zinc/74/45/72/175744572.db2.gz DCLKOISKKKFGLH-SECBINFHSA-N 1 1 277.397 2.789 50 0 CFAAMO CC[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071746484 176258352 /nfs/dbraw/zinc/25/83/52/176258352.db2.gz SAISRPOALMAIFK-INIZCTEOSA-N 1 1 292.398 2.905 50 0 CFAAMO COc1ccc2cc([C@H]3C[N@H+](C)CCO3)ccc2c1 ZINC000071748500 176259417 /nfs/dbraw/zinc/25/94/17/176259417.db2.gz JWVAUKRDIXNEBA-MRXNPFEDSA-N 1 1 257.333 2.852 50 0 CFAAMO COc1ccc2cc([C@H]3C[N@@H+](C)CCO3)ccc2c1 ZINC000071748500 176259419 /nfs/dbraw/zinc/25/94/19/176259419.db2.gz JWVAUKRDIXNEBA-MRXNPFEDSA-N 1 1 257.333 2.852 50 0 CFAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCC1=CCCCC1 ZINC000071751929 176259938 /nfs/dbraw/zinc/25/99/38/176259938.db2.gz SSTGQIDIPXNEGP-GFCCVEGCSA-N 1 1 261.369 2.759 50 0 CFAAMO NC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000071824489 176271495 /nfs/dbraw/zinc/27/14/95/176271495.db2.gz QDLVYZIFXWWINH-CVEARBPZSA-N 1 1 284.334 2.629 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000071870561 176283286 /nfs/dbraw/zinc/28/32/86/176283286.db2.gz ZUFMWKNGFFQTFF-LSDHHAIUSA-N 1 1 273.380 2.711 50 0 CFAAMO CCOC[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000071904861 176295437 /nfs/dbraw/zinc/29/54/37/176295437.db2.gz JHNOOEYTEMPGBU-SWLSCSKDSA-N 1 1 269.360 2.606 50 0 CFAAMO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000071910298 176297661 /nfs/dbraw/zinc/29/76/61/176297661.db2.gz BMWXARBYTMNYMS-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000071910298 176297662 /nfs/dbraw/zinc/29/76/62/176297662.db2.gz BMWXARBYTMNYMS-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO CCOC(=O)CCCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000071916176 176299297 /nfs/dbraw/zinc/29/92/97/176299297.db2.gz CUGOMNAMCIAOIE-AWEZNQCLSA-N 1 1 264.369 2.885 50 0 CFAAMO CN(Cc1ccncc1)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000072127413 176321067 /nfs/dbraw/zinc/32/10/67/176321067.db2.gz DNNIDYUUZSBACY-SFHVURJKSA-N 1 1 281.403 2.570 50 0 CFAAMO CN1Cc2ccccc2C[C@H]1C[N@H+](C)Cc1ccncc1 ZINC000072127413 176321069 /nfs/dbraw/zinc/32/10/69/176321069.db2.gz DNNIDYUUZSBACY-SFHVURJKSA-N 1 1 281.403 2.570 50 0 CFAAMO CN1Cc2ccccc2C[C@H]1C[N@@H+](C)Cc1ccncc1 ZINC000072127413 176321071 /nfs/dbraw/zinc/32/10/71/176321071.db2.gz DNNIDYUUZSBACY-SFHVURJKSA-N 1 1 281.403 2.570 50 0 CFAAMO C[N@@H+](CCc1ccccn1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000072154518 176328161 /nfs/dbraw/zinc/32/81/61/176328161.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 1 1 287.451 2.820 50 0 CFAAMO CN(CCc1ccccn1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072154518 176328167 /nfs/dbraw/zinc/32/81/67/176328167.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 1 1 287.451 2.820 50 0 CFAAMO CN(CCc1ccccn1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072154518 176328168 /nfs/dbraw/zinc/32/81/68/176328168.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 1 1 287.451 2.820 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CC(c2ccncc2)C1 ZINC000072161721 176330108 /nfs/dbraw/zinc/33/01/08/176330108.db2.gz CSUMGSBNKUUYMQ-CYBMUJFWSA-N 1 1 298.390 2.589 50 0 CFAAMO Nc1cc(N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)ncn1 ZINC000072409964 176398218 /nfs/dbraw/zinc/39/82/18/176398218.db2.gz ARLYWKHYFZEZTL-CQSZACIVSA-N 1 1 289.427 2.515 50 0 CFAAMO CC(=O)N[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C(C)C ZINC000077340641 177254882 /nfs/dbraw/zinc/25/48/82/177254882.db2.gz SEHIYZPUBIMYMS-INHTXZAOSA-N 1 1 286.419 2.792 50 0 CFAAMO CCOC(=O)[C@@H]1CC2(CCCCC2)[N@H+]2CCC[C@H]12 ZINC000004343235 260014878 /nfs/dbraw/zinc/01/48/78/260014878.db2.gz DUXGYQFYWPNKJS-CHWSQXEVSA-N 1 1 251.370 2.737 50 0 CFAAMO CNc1cc[nH+]c(N(C)Cc2cccc3cnccc32)n1 ZINC000065427043 260242985 /nfs/dbraw/zinc/24/29/85/260242985.db2.gz VLGZZMQRDARZHX-UHFFFAOYSA-N 1 1 279.347 2.703 50 0 CFAAMO CC(=O)C[N@H+]1c2ccccc2N(Cc2ccccc2)C1=N ZINC000032600496 262377849 /nfs/dbraw/zinc/37/78/49/262377849.db2.gz GYVBHHQFUMKTTP-UHFFFAOYSA-N 1 1 279.343 2.560 50 0 CFAAMO CC(=O)C[N@@H+]1c2ccccc2N(Cc2ccccc2)C1=N ZINC000032600496 262377850 /nfs/dbraw/zinc/37/78/50/262377850.db2.gz GYVBHHQFUMKTTP-UHFFFAOYSA-N 1 1 279.343 2.560 50 0 CFAAMO CC1(C)[C@@H]2C[C@H]1C(CCNc1cc(N)[nH+]cn1)=CC2 ZINC000827593185 782038609 /nfs/dbraw/zinc/03/86/09/782038609.db2.gz ZXSKCUOYFKYFMZ-RYUDHWBXSA-N 1 1 258.369 2.853 50 0 CFAAMO CC1(C)[C@@H]2C[C@H]1C(CCNc1cc(N)nc[nH+]1)=CC2 ZINC000827593185 782038619 /nfs/dbraw/zinc/03/86/19/782038619.db2.gz ZXSKCUOYFKYFMZ-RYUDHWBXSA-N 1 1 258.369 2.853 50 0 CFAAMO CCc1nc2c3ccccc3oc2c(N2CC[NH+](C)CC2)n1 ZINC000005216266 273774732 /nfs/dbraw/zinc/77/47/32/273774732.db2.gz ASDWPEHJDKKDRB-UHFFFAOYSA-N 1 1 296.374 2.690 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000095353866 277043004 /nfs/dbraw/zinc/04/30/04/277043004.db2.gz HJPSKPVHCPCDTR-GFCCVEGCSA-N 1 1 258.325 2.679 50 0 CFAAMO COc1cc(C[C@@H]2CC(C)=CC[N@H+]2C)cc(OC)c1OC ZINC000000387954 277378408 /nfs/dbraw/zinc/37/84/08/277378408.db2.gz TZHZEVMJGGQMTC-AWEZNQCLSA-N 1 1 291.391 2.905 50 0 CFAAMO Cc1noc(C)c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000034996493 279249637 /nfs/dbraw/zinc/24/96/37/279249637.db2.gz FNOSFDRNKTZZIN-AWEZNQCLSA-N 1 1 258.321 2.905 50 0 CFAAMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(F)c1 ZINC000090227692 280568757 /nfs/dbraw/zinc/56/87/57/280568757.db2.gz FZEHNCPVZNEIKH-HZMBPMFUSA-N 1 1 274.343 2.911 50 0 CFAAMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000095984114 281025809 /nfs/dbraw/zinc/02/58/09/281025809.db2.gz MVDWMQDUVRPLGU-ZDUSSCGKSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000095984114 281025815 /nfs/dbraw/zinc/02/58/15/281025815.db2.gz MVDWMQDUVRPLGU-ZDUSSCGKSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1CC1 ZINC000001446363 281099010 /nfs/dbraw/zinc/09/90/10/281099010.db2.gz KJALNEGZZLQEGT-GOEBONIOSA-N 1 1 270.376 2.539 50 0 CFAAMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccnc(Cl)c1 ZINC000252517363 288299109 /nfs/dbraw/zinc/29/91/09/288299109.db2.gz GPMYXZOTTKBVSX-OCCSQVGLSA-N 1 1 279.815 2.794 50 0 CFAAMO Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000004867881 281353419 /nfs/dbraw/zinc/35/34/19/281353419.db2.gz DTYLIISEVDGUQM-MRXNPFEDSA-N 1 1 277.408 2.999 50 0 CFAAMO Cc1cccnc1C[C@H](C)Nc1nc(N(C)C)c(C)c[nH+]1 ZINC000065383128 281413156 /nfs/dbraw/zinc/41/31/56/281413156.db2.gz VCGVPRUYCAYUHF-ZDUSSCGKSA-N 1 1 285.395 2.598 50 0 CFAAMO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(CCCCOc1ccccc1)C2 ZINC000534646478 328329300 /nfs/dbraw/zinc/32/93/00/328329300.db2.gz ONDNGZKNMXMELU-SCAQPMJSSA-N 1 1 274.408 2.515 50 0 CFAAMO CC(C)(C)CC[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000188001444 324005757 /nfs/dbraw/zinc/00/57/57/324005757.db2.gz COMIFICOLYTMFB-CQSZACIVSA-N 1 1 268.445 2.513 50 0 CFAAMO CC(C)(C)CC[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000188001421 324006098 /nfs/dbraw/zinc/00/60/98/324006098.db2.gz COMIFICOLYTMFB-AWEZNQCLSA-N 1 1 268.445 2.513 50 0 CFAAMO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000189517333 324029097 /nfs/dbraw/zinc/02/90/97/324029097.db2.gz GZAWCMODQVIWTL-MNOVXSKESA-N 1 1 255.387 2.532 50 0 CFAAMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCO[C@H](C)C1 ZINC000191986232 324056270 /nfs/dbraw/zinc/05/62/70/324056270.db2.gz VBFHZDZELVOTAN-OAHLLOKOSA-N 1 1 285.391 2.792 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573099 324109148 /nfs/dbraw/zinc/10/91/48/324109148.db2.gz PJWBEXXTLAOJEG-UKRRQHHQSA-N 1 1 292.398 2.729 50 0 CFAAMO C[C@@H](CC(F)(F)F)[N@@H+]1CCOc2ccc(CO)cc2C1 ZINC000828827027 782111500 /nfs/dbraw/zinc/11/15/00/782111500.db2.gz OARJIKNJUBEAOD-JTQLQIEISA-N 1 1 289.297 2.714 50 0 CFAAMO C[C@@H](CC(F)(F)F)[N@H+]1CCOc2ccc(CO)cc2C1 ZINC000828827027 782111502 /nfs/dbraw/zinc/11/15/02/782111502.db2.gz OARJIKNJUBEAOD-JTQLQIEISA-N 1 1 289.297 2.714 50 0 CFAAMO COc1cc(C)c(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C)cc1C ZINC000244734350 522194257 /nfs/dbraw/zinc/19/42/57/522194257.db2.gz NDYMOTGQDAHZLB-RDJZCZTQSA-N 1 1 288.435 2.981 50 0 CFAAMO C[C@H]1CC[N@H+](CCCS(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000239672830 524288134 /nfs/dbraw/zinc/28/81/34/524288134.db2.gz BVNNASCLUFZTHB-SWLSCSKDSA-N 1 1 299.411 2.643 50 0 CFAAMO C[C@H]1CC[N@@H+](CCCS(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000239672830 524288142 /nfs/dbraw/zinc/28/81/42/524288142.db2.gz BVNNASCLUFZTHB-SWLSCSKDSA-N 1 1 299.411 2.643 50 0 CFAAMO C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000089340290 536451731 /nfs/dbraw/zinc/45/17/31/536451731.db2.gz HZKFRGIQKXTRFS-NVXWUHKLSA-N 1 1 274.408 2.624 50 0 CFAAMO Cc1noc([C@H](C)SCCCn2cc[nH+]c2C)n1 ZINC000095988311 526666681 /nfs/dbraw/zinc/66/66/81/526666681.db2.gz RJGXRUQSCYMQFT-VIFPVBQESA-N 1 1 266.370 2.767 50 0 CFAAMO C([C@H]1CCC[N@H+]1C[C@H]1CCCCO1)N1CCCCC1 ZINC000106765906 527493367 /nfs/dbraw/zinc/49/33/67/527493367.db2.gz JDBPKYNBHDYTNL-HZPDHXFCSA-N 1 1 266.429 2.506 50 0 CFAAMO C([C@H]1CCCN1C[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC000106765906 527493370 /nfs/dbraw/zinc/49/33/70/527493370.db2.gz JDBPKYNBHDYTNL-HZPDHXFCSA-N 1 1 266.429 2.506 50 0 CFAAMO CC[C@](C)([NH2+]CC(=O)Nc1ccccc1)c1nccs1 ZINC000096443441 529370063 /nfs/dbraw/zinc/37/00/63/529370063.db2.gz JFGGVWUCHGBESE-HNNXBMFYSA-N 1 1 289.404 2.997 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCN(C)Cc1cncn1C1CC1 ZINC000252494842 545529742 /nfs/dbraw/zinc/52/97/42/545529742.db2.gz OGJGMRBZADGORH-CQSZACIVSA-N 1 1 276.428 2.524 50 0 CFAAMO C[NH+]1CCC(N[C@@H]2CCCOc3ccccc32)CC1 ZINC000098020454 545572032 /nfs/dbraw/zinc/57/20/32/545572032.db2.gz SFKPDBAQGVQXRS-OAHLLOKOSA-N 1 1 260.381 2.584 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)[C@H]2CC2(C)C)CCCCC1 ZINC000952974472 614849967 /nfs/dbraw/zinc/84/99/67/614849967.db2.gz JMEBPJKHEASLQB-CYBMUJFWSA-N 1 1 266.429 2.803 50 0 CFAAMO CC(C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H]1c1ccccc1 ZINC000090687695 618148515 /nfs/dbraw/zinc/14/85/15/618148515.db2.gz FPZYMZBAUOUKHS-MRXNPFEDSA-N 1 1 272.392 2.690 50 0 CFAAMO CC(C)C(=O)N1CC[N@H+](C2CC2)C[C@@H]1c1ccccc1 ZINC000090687695 618148519 /nfs/dbraw/zinc/14/85/19/618148519.db2.gz FPZYMZBAUOUKHS-MRXNPFEDSA-N 1 1 272.392 2.690 50 0 CFAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000002498234 618172843 /nfs/dbraw/zinc/17/28/43/618172843.db2.gz HRYONARCMQWNRK-AAWPKVBNSA-N 1 1 264.413 2.876 50 0 CFAAMO CCc1noc([C@H](C)[NH2+][C@@H](C)Cc2ccc(C)cn2)n1 ZINC000020209022 618801102 /nfs/dbraw/zinc/80/11/02/618801102.db2.gz QKDKHIIQWPMDNY-RYUDHWBXSA-N 1 1 274.368 2.617 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H](C)C1 ZINC000004022891 618887131 /nfs/dbraw/zinc/88/71/31/618887131.db2.gz XGSFSMOKZNRERD-MJBXVCDLSA-N 1 1 253.386 2.983 50 0 CFAAMO Cc1nc(C(F)(F)F)c(C[N@@H+](C)C[C@H]2CCOC2)s1 ZINC000183603265 625519984 /nfs/dbraw/zinc/51/99/84/625519984.db2.gz JMXNPNPWCIMZPL-SECBINFHSA-N 1 1 294.342 2.939 50 0 CFAAMO Cc1cc(C)c2c(c1)OCC[C@H]2NC1CC[NH+](C)CC1 ZINC000089582696 623693085 /nfs/dbraw/zinc/69/30/85/623693085.db2.gz QUVNKBHPWSAEHA-OAHLLOKOSA-N 1 1 274.408 2.811 50 0 CFAAMO Cc1ccc(-c2noc(C[C@@H]3CC[N@H+](C)C3)n2)cc1F ZINC000874435448 624452516 /nfs/dbraw/zinc/45/25/16/624452516.db2.gz SRFGTOLRTIRRAV-NSHDSACASA-N 1 1 275.327 2.678 50 0 CFAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090969 637872209 /nfs/dbraw/zinc/87/22/09/637872209.db2.gz HMXSKMMREFBLMP-OCCSQVGLSA-N 1 1 275.396 2.821 50 0 CFAAMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000091964245 650912993 /nfs/dbraw/zinc/91/29/93/650912993.db2.gz KRUYLBVWSCULDK-CQSZACIVSA-N 1 1 277.364 2.662 50 0 CFAAMO COc1ccc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000216030446 645987144 /nfs/dbraw/zinc/98/71/44/645987144.db2.gz VXTXHRVTNMKRQZ-QGZVFWFLSA-N 1 1 297.402 2.579 50 0 CFAAMO O=C(/C=C/c1cccs1)N1CCC[N@H+](C2CCC2)CC1 ZINC000827939351 647818625 /nfs/dbraw/zinc/81/86/25/647818625.db2.gz VTJCTCXNRSAVLY-BQYQJAHWSA-N 1 1 290.432 2.848 50 0 CFAAMO c1cnn(CC[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019146983 651287765 /nfs/dbraw/zinc/28/77/65/651287765.db2.gz JVZYUCVVIYVKLF-AWEZNQCLSA-N 1 1 295.390 2.639 50 0 CFAAMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nccs2)c(=O)[nH]c1C ZINC000019757405 651293597 /nfs/dbraw/zinc/29/35/97/651293597.db2.gz ZRVDIPYZKVRMTQ-CYBMUJFWSA-N 1 1 289.404 2.785 50 0 CFAAMO Cc1cc(C[N@H+]2CCC[C@@H]2c2nccs2)c(=O)[nH]c1C ZINC000019757405 651293599 /nfs/dbraw/zinc/29/35/99/651293599.db2.gz ZRVDIPYZKVRMTQ-CYBMUJFWSA-N 1 1 289.404 2.785 50 0 CFAAMO CC(C)(C)CN1CC[N@@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020234290 651297374 /nfs/dbraw/zinc/29/73/74/651297374.db2.gz OGYSBXYIQUDCJG-KRWDZBQOSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@@H+]1CCN(CC2CCCCC2)[C@@H](CCO)C1 ZINC000020234290 651297375 /nfs/dbraw/zinc/29/73/75/651297375.db2.gz OGYSBXYIQUDCJG-KRWDZBQOSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@H+]1CCN(CC2CCCCC2)[C@@H](CCO)C1 ZINC000020234290 651297377 /nfs/dbraw/zinc/29/73/77/651297377.db2.gz OGYSBXYIQUDCJG-KRWDZBQOSA-N 1 1 296.499 2.981 50 0 CFAAMO CC[C@@H](C(=O)N(CC)C1CCCCC1)[N@@H+](C)CC ZINC000822542433 781903357 /nfs/dbraw/zinc/90/33/57/781903357.db2.gz JUAOCSPETZLVIA-AWEZNQCLSA-N 1 1 254.418 2.898 50 0 CFAAMO CC[C@H](C(=O)NCCc1ccccc1Cl)[N@@H+](C)CC ZINC000822555061 781904133 /nfs/dbraw/zinc/90/41/33/781904133.db2.gz AYOQIGLSDONSQT-CQSZACIVSA-N 1 1 282.815 2.729 50 0 CFAAMO CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000822564339 781905130 /nfs/dbraw/zinc/90/51/30/781905130.db2.gz WKEFRMTWEBYEEN-CQSZACIVSA-N 1 1 296.436 2.639 50 0 CFAAMO CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000822564339 781905134 /nfs/dbraw/zinc/90/51/34/781905134.db2.gz WKEFRMTWEBYEEN-CQSZACIVSA-N 1 1 296.436 2.639 50 0 CFAAMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000096443926 230373953 /nfs/dbraw/zinc/37/39/53/230373953.db2.gz IRBVDAURLUNLRJ-ZDUSSCGKSA-N 1 1 288.391 2.756 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000096455382 230376969 /nfs/dbraw/zinc/37/69/69/230376969.db2.gz QXKBARSQSLSUMN-AWEZNQCLSA-N 1 1 291.395 2.523 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000096455382 230376970 /nfs/dbraw/zinc/37/69/70/230376970.db2.gz QXKBARSQSLSUMN-AWEZNQCLSA-N 1 1 291.395 2.523 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCc2ncccc2C1 ZINC000095521630 185002828 /nfs/dbraw/zinc/00/28/28/185002828.db2.gz BSMFCMRYCLOUOF-CYBMUJFWSA-N 1 1 298.390 2.547 50 0 CFAAMO Cc1csc(N2CC[N@@H+](Cc3cccnc3)C[C@H]2C)n1 ZINC000106775780 230393853 /nfs/dbraw/zinc/39/38/53/230393853.db2.gz VVRWUYNBXFDQGL-CYBMUJFWSA-N 1 1 288.420 2.557 50 0 CFAAMO Cc1csc(N2CC[N@H+](Cc3cccnc3)C[C@H]2C)n1 ZINC000106775780 230393854 /nfs/dbraw/zinc/39/38/54/230393854.db2.gz VVRWUYNBXFDQGL-CYBMUJFWSA-N 1 1 288.420 2.557 50 0 CFAAMO C[C@H](c1ccccn1)[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000195547968 230396368 /nfs/dbraw/zinc/39/63/68/230396368.db2.gz VNRSHCIVJBTVTG-MLGOLLRUSA-N 1 1 274.339 2.947 50 0 CFAAMO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)[C@@H]1COc2ccccc21 ZINC000096014150 185066358 /nfs/dbraw/zinc/06/63/58/185066358.db2.gz FBCCLVBEZZINRW-MFKMUULPSA-N 1 1 285.347 2.601 50 0 CFAAMO c1cc(CCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccn1 ZINC000096012980 185065898 /nfs/dbraw/zinc/06/58/98/185065898.db2.gz MEAAZDSNLDEZHR-QGZVFWFLSA-N 1 1 283.375 2.563 50 0 CFAAMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(C)o1 ZINC000096461818 529384812 /nfs/dbraw/zinc/38/48/12/529384812.db2.gz UBTJLTUHWOXNMF-CQSZACIVSA-N 1 1 286.379 2.609 50 0 CFAAMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(C)o1 ZINC000096461818 529384814 /nfs/dbraw/zinc/38/48/14/529384814.db2.gz UBTJLTUHWOXNMF-CQSZACIVSA-N 1 1 286.379 2.609 50 0 CFAAMO COc1cc(C[N@H+]2CCCC[C@H]2CO)ccc1SC ZINC000068806586 346871003 /nfs/dbraw/zinc/87/10/03/346871003.db2.gz KFGBLAMQSKLDNG-ZDUSSCGKSA-N 1 1 281.421 2.764 50 0 CFAAMO Cc1ncc2c(n1)C[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000069433203 346892675 /nfs/dbraw/zinc/89/26/75/346892675.db2.gz PLABJXAPKHZSGQ-VMPITWQZSA-N 1 1 265.360 2.857 50 0 CFAAMO Cc1ncc2c(n1)C[N@H+](C/C=C/c1ccccc1)CC2 ZINC000069433203 346892679 /nfs/dbraw/zinc/89/26/79/346892679.db2.gz PLABJXAPKHZSGQ-VMPITWQZSA-N 1 1 265.360 2.857 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2CC)o1 ZINC000069624056 346897422 /nfs/dbraw/zinc/89/74/22/346897422.db2.gz CIVVQHRXKYUSAJ-HUUCEWRRSA-N 1 1 290.407 2.931 50 0 CFAAMO CCc1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000220617955 529598343 /nfs/dbraw/zinc/59/83/43/529598343.db2.gz GYHQZDGKFOZRPB-KRWDZBQOSA-N 1 1 297.402 2.706 50 0 CFAAMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000220617955 529598345 /nfs/dbraw/zinc/59/83/45/529598345.db2.gz GYHQZDGKFOZRPB-KRWDZBQOSA-N 1 1 297.402 2.706 50 0 CFAAMO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ncc[nH]1 ZINC000072273390 346924546 /nfs/dbraw/zinc/92/45/46/346924546.db2.gz GEDSJYRXGVTYJC-GFCCVEGCSA-N 1 1 273.384 2.528 50 0 CFAAMO C[N@@H+](CCCn1ccnc1)Cc1nc2ccc(F)cc2o1 ZINC000096490569 529899084 /nfs/dbraw/zinc/89/90/84/529899084.db2.gz RUSQUNXJIWPBDZ-UHFFFAOYSA-N 1 1 288.326 2.686 50 0 CFAAMO CCc1cc(CN[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH]n1 ZINC000075093202 347054583 /nfs/dbraw/zinc/05/45/83/347054583.db2.gz MUXRBSDRRBQCPV-WMLDXEAASA-N 1 1 298.434 2.897 50 0 CFAAMO CCc1cc(CN[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH]n1 ZINC000075093202 347054586 /nfs/dbraw/zinc/05/45/86/347054586.db2.gz MUXRBSDRRBQCPV-WMLDXEAASA-N 1 1 298.434 2.897 50 0 CFAAMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc3ccccc3n2)C1 ZINC000076060685 539484618 /nfs/dbraw/zinc/48/46/18/539484618.db2.gz HUKDKOACZCPEDE-CYBMUJFWSA-N 1 1 269.348 2.515 50 0 CFAAMO CC[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1c1ccccc1 ZINC000084736443 178923548 /nfs/dbraw/zinc/92/35/48/178923548.db2.gz LZQBVWKWBCVNTA-RDJZCZTQSA-N 1 1 284.407 2.794 50 0 CFAAMO C/C=C/C(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000000348955 346204635 /nfs/dbraw/zinc/20/46/35/346204635.db2.gz GGXORRWURANZHJ-QHHAFSJGSA-N 1 1 256.349 2.964 50 0 CFAAMO Cc1cc(Cl)cc(C)c1OCCCN1CC[NH+](C)CC1 ZINC000039425367 346343413 /nfs/dbraw/zinc/34/34/13/346343413.db2.gz UPYZRJMWLLEZOD-UHFFFAOYSA-N 1 1 296.842 2.973 50 0 CFAAMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)C12CCCC2 ZINC000085680213 179113437 /nfs/dbraw/zinc/11/34/37/179113437.db2.gz SHFPYOSGOXFGHU-ZIAGYGMSSA-N 1 1 263.385 2.546 50 0 CFAAMO Cc1[nH+]ccn1CCCNc1ncnc2ccc(F)cc21 ZINC000076063447 347116940 /nfs/dbraw/zinc/11/69/40/347116940.db2.gz UKPABIKQYXIBOK-UHFFFAOYSA-N 1 1 285.326 2.776 50 0 CFAAMO COc1ccc(CN[C@@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000083877854 347454501 /nfs/dbraw/zinc/45/45/01/347454501.db2.gz UWDAGIAYGPSMFJ-GFCCVEGCSA-N 1 1 298.814 2.541 50 0 CFAAMO COc1ccc(CN[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000083877854 347454508 /nfs/dbraw/zinc/45/45/08/347454508.db2.gz UWDAGIAYGPSMFJ-GFCCVEGCSA-N 1 1 298.814 2.541 50 0 CFAAMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ncc[nH]2)cc1 ZINC000086279294 179263068 /nfs/dbraw/zinc/26/30/68/179263068.db2.gz BYBXZPGPYJVCCX-GFCCVEGCSA-N 1 1 281.363 2.755 50 0 CFAAMO C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)c1ccncc1 ZINC000097370694 347708626 /nfs/dbraw/zinc/70/86/26/347708626.db2.gz JGLAYBTWXVMADY-NSHDSACASA-N 1 1 288.420 2.988 50 0 CFAAMO Cc1nnc(CCC[N@H+](C)[C@H]2CCCC[C@@H]2C)o1 ZINC000120010393 347805300 /nfs/dbraw/zinc/80/53/00/347805300.db2.gz QCUFXDALUKBVLR-AAEUAGOBSA-N 1 1 251.374 2.821 50 0 CFAAMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000123005872 347817851 /nfs/dbraw/zinc/81/78/51/347817851.db2.gz VEYXNNQVXQWRDY-HNNXBMFYSA-N 1 1 299.374 2.757 50 0 CFAAMO CN(C)CC[NH2+]Cc1ccc(Br)cc1Cl ZINC000157330362 348000029 /nfs/dbraw/zinc/00/00/29/348000029.db2.gz JVILZFOLCDIEMT-UHFFFAOYSA-N 1 1 291.620 2.754 50 0 CFAAMO COC[C@](C)([NH2+]Cc1cccnc1OC)c1ccccc1 ZINC000193522563 348142894 /nfs/dbraw/zinc/14/28/94/348142894.db2.gz ZWVBCRQBJUPIKY-KRWDZBQOSA-N 1 1 286.375 2.742 50 0 CFAAMO COc1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)ccc1O ZINC000194975018 348145193 /nfs/dbraw/zinc/14/51/93/348145193.db2.gz YVKCVJXREGYMHJ-WDEREUQCSA-N 1 1 267.394 2.727 50 0 CFAAMO CCn1ncnc1C[N@@H+]1CC[C@H](CC2CCCC2)C1 ZINC000225617494 348178209 /nfs/dbraw/zinc/17/82/09/348178209.db2.gz AAHQVVJEZKBMOC-CQSZACIVSA-N 1 1 262.401 2.700 50 0 CFAAMO CCn1ncnc1C[N@H+]1CC[C@H](CC2CCCC2)C1 ZINC000225617494 348178213 /nfs/dbraw/zinc/17/82/13/348178213.db2.gz AAHQVVJEZKBMOC-CQSZACIVSA-N 1 1 262.401 2.700 50 0 CFAAMO C[C@@H](C[N@H+]1CCC[C@H](CC(N)=O)C1)c1ccc(F)cc1 ZINC000215652122 348162916 /nfs/dbraw/zinc/16/29/16/348162916.db2.gz JBNMCQKSYZBRLO-QWHCGFSZSA-N 1 1 278.371 2.517 50 0 CFAAMO C[C@@H](C[N@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc(F)cc1 ZINC000230469703 348206148 /nfs/dbraw/zinc/20/61/48/348206148.db2.gz HOTWVCPWLUFHAV-UONOGXRCSA-N 1 1 292.398 2.907 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245343816 348252162 /nfs/dbraw/zinc/25/21/62/348252162.db2.gz VUWRZGJYAXLRIP-BBWFWOEESA-N 1 1 288.435 2.979 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245343816 348252165 /nfs/dbraw/zinc/25/21/65/348252165.db2.gz VUWRZGJYAXLRIP-BBWFWOEESA-N 1 1 288.435 2.979 50 0 CFAAMO CCc1nccn1C[C@H](C)[N@@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888427 348728086 /nfs/dbraw/zinc/72/80/86/348728086.db2.gz LQQODAVKSSNJCH-HNNXBMFYSA-N 1 1 286.423 2.978 50 0 CFAAMO Clc1ccc2nc(CCC[NH2+][C@H]3CCCOC3)[nH]c2c1 ZINC000584894379 348729879 /nfs/dbraw/zinc/72/98/79/348729879.db2.gz FMZJJSFOKYVUOX-LBPRGKRZSA-N 1 1 293.798 2.918 50 0 CFAAMO COCCC[C@@]1(CO)CCC[N@@H+](CCc2ccccc2)C1 ZINC000091255585 180114707 /nfs/dbraw/zinc/11/47/07/180114707.db2.gz IWJNSUGYSXTJAH-SFHVURJKSA-N 1 1 291.435 2.730 50 0 CFAAMO CNc1cc(C)[nH+]c(C[C@H]2COc3ccccc3C2)n1 ZINC000091563339 180193021 /nfs/dbraw/zinc/19/30/21/180193021.db2.gz FZOVBIXKAPPATN-LBPRGKRZSA-N 1 1 269.348 2.621 50 0 CFAAMO c1ccc2c(c1)C[C@@H](Cc1cc(N3CCCC3)cn[nH+]1)CO2 ZINC000091574193 180197250 /nfs/dbraw/zinc/19/72/50/180197250.db2.gz CDBPPPGACCFQHE-AWEZNQCLSA-N 1 1 295.386 2.871 50 0 CFAAMO CCc1ccccc1C[N@H+]1CCC[C@@](CO)(CCOC)C1 ZINC000091504501 180176074 /nfs/dbraw/zinc/17/60/74/180176074.db2.gz CWWJRFCKPQEBIG-GOSISDBHSA-N 1 1 291.435 2.860 50 0 CFAAMO c1cc(NC[C@H]2CC[N@H+](C3CCCCC3)C2)ncn1 ZINC000091535066 180182386 /nfs/dbraw/zinc/18/23/86/180182386.db2.gz HVNNLFREMGZNPY-CYBMUJFWSA-N 1 1 260.385 2.543 50 0 CFAAMO Cc1[nH+]ccn1[C@@H](C)c1ncnn1C1Cc2ccccc2C1 ZINC000091643729 180214101 /nfs/dbraw/zinc/21/41/01/180214101.db2.gz MIBWSEJHEFXQCW-LBPRGKRZSA-N 1 1 293.374 2.732 50 0 CFAAMO CC[C@@]1(CO)CCC[N@@H+](CCOc2ccccc2)C1 ZINC000091780661 180252684 /nfs/dbraw/zinc/25/26/84/180252684.db2.gz IZLXUCZUYVIOOE-MRXNPFEDSA-N 1 1 263.381 2.550 50 0 CFAAMO Cc1c[nH+]c(N)nc1N(C)Cc1cccc2cccnc21 ZINC000091745419 180243932 /nfs/dbraw/zinc/24/39/32/180243932.db2.gz ADMFHZHXPXFZKH-UHFFFAOYSA-N 1 1 279.347 2.552 50 0 CFAAMO CCn1nc(C)c(C[N@H+]2C[C@H](N(C)C)[C@@H](C(C)C)C2)c1C ZINC000091997384 180302795 /nfs/dbraw/zinc/30/27/95/180302795.db2.gz MNCABZONLVQGAD-WBVHZDCISA-N 1 1 292.471 2.538 50 0 CFAAMO CCn1nc(C)c(C[N@@H+]2C[C@H](N(C)C)[C@@H](C(C)C)C2)c1C ZINC000091997384 180302797 /nfs/dbraw/zinc/30/27/97/180302797.db2.gz MNCABZONLVQGAD-WBVHZDCISA-N 1 1 292.471 2.538 50 0 CFAAMO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@H]1CC[N@@H+](C)C1 ZINC000092099623 180324796 /nfs/dbraw/zinc/32/47/96/180324796.db2.gz JRLUQRPWACECHI-AWEZNQCLSA-N 1 1 299.418 2.869 50 0 CFAAMO Cc1ccccc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000106136186 186104264 /nfs/dbraw/zinc/10/42/64/186104264.db2.gz PFWVYWRZNIIWRJ-HIFRSBDPSA-N 1 1 274.408 2.845 50 0 CFAAMO COc1ccc(C[NH2+]C2CCN(C)CC2)c(Cl)c1OC ZINC000106366645 186110393 /nfs/dbraw/zinc/11/03/93/186110393.db2.gz VGGHMTVYRKTKLL-UHFFFAOYSA-N 1 1 298.814 2.541 50 0 CFAAMO CCc1cc(CN[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH]n1 ZINC000107068710 186158994 /nfs/dbraw/zinc/15/89/94/186158994.db2.gz MUXRBSDRRBQCPV-PBHICJAKSA-N 1 1 298.434 2.897 50 0 CFAAMO CCc1cc(CN[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH]n1 ZINC000107068710 186158995 /nfs/dbraw/zinc/15/89/95/186158995.db2.gz MUXRBSDRRBQCPV-PBHICJAKSA-N 1 1 298.434 2.897 50 0 CFAAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)Cc1cnc(C)cn1 ZINC000107145227 186160614 /nfs/dbraw/zinc/16/06/14/186160614.db2.gz VNIICUPKSUMGCH-QWHCGFSZSA-N 1 1 251.399 2.501 50 0 CFAAMO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(O)CC1 ZINC000120131650 186877537 /nfs/dbraw/zinc/87/75/37/186877537.db2.gz KLVAXUDXTLUENV-JTQLQIEISA-N 1 1 284.197 2.967 50 0 CFAAMO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000080339473 539843219 /nfs/dbraw/zinc/84/32/19/539843219.db2.gz QIHVMXSKTGZHIE-BMIGLBTASA-N 1 1 259.328 2.962 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000239619505 540042043 /nfs/dbraw/zinc/04/20/43/540042043.db2.gz BFCGLXHHVJDPIV-OLZOCXBDSA-N 1 1 294.468 2.893 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000239619505 540042047 /nfs/dbraw/zinc/04/20/47/540042047.db2.gz BFCGLXHHVJDPIV-OLZOCXBDSA-N 1 1 294.468 2.893 50 0 CFAAMO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2)c1)C1CCC1 ZINC000629950331 354959338 /nfs/dbraw/zinc/95/93/38/354959338.db2.gz KTKFUFORORJJJV-UHFFFAOYSA-N 1 1 287.407 2.710 50 0 CFAAMO CC(=O)OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000083815614 540184594 /nfs/dbraw/zinc/18/45/94/540184594.db2.gz UXNZQUHQVXKMPC-LBPRGKRZSA-N 1 1 283.318 2.740 50 0 CFAAMO Cc1noc([C@H]([NH2+][C@H](C)Cn2cnc(C)c2C)C(C)C)n1 ZINC000091724501 540398542 /nfs/dbraw/zinc/39/85/42/540398542.db2.gz AJYJZSLADURHGA-QMTHXVAHSA-N 1 1 291.399 2.567 50 0 CFAAMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000177741745 189066975 /nfs/dbraw/zinc/06/69/75/189066975.db2.gz VUULXVYUDRWFAC-CYBMUJFWSA-N 1 1 278.783 2.569 50 0 CFAAMO CC1(C)CC[C@H]([N@H+]2CC[C@H](NC(=O)C3CCC3)C2)C1 ZINC000096013595 540726781 /nfs/dbraw/zinc/72/67/81/540726781.db2.gz JNWUIPRLSBWYKX-KBPBESRZSA-N 1 1 264.413 2.556 50 0 CFAAMO CC(C)c1noc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)n1 ZINC000178006129 189084684 /nfs/dbraw/zinc/08/46/84/189084684.db2.gz JVZQELAMMDWVLM-GFCCVEGCSA-N 1 1 289.379 2.962 50 0 CFAAMO CC(C)c1noc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)n1 ZINC000178006129 189084685 /nfs/dbraw/zinc/08/46/85/189084685.db2.gz JVZQELAMMDWVLM-GFCCVEGCSA-N 1 1 289.379 2.962 50 0 CFAAMO CCOCc1cccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000252484063 540745844 /nfs/dbraw/zinc/74/58/44/540745844.db2.gz FNJWJLRCEIWMIQ-DOMZBBRYSA-N 1 1 276.380 2.502 50 0 CFAAMO O[C@]1(C(F)(F)F)CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000252492476 540748878 /nfs/dbraw/zinc/74/88/78/540748878.db2.gz MNKHCTICXLHAEZ-CYBMUJFWSA-N 1 1 295.345 2.582 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000180081713 189236205 /nfs/dbraw/zinc/23/62/05/189236205.db2.gz QHPXORZWURKRJS-OAHLLOKOSA-N 1 1 274.343 2.563 50 0 CFAAMO CCc1[nH+]ccn1C[C@H](C)N1CC(Oc2ccc(C)cc2)C1 ZINC000670438597 540995059 /nfs/dbraw/zinc/99/50/59/540995059.db2.gz ZZJGSWQSCNUFIQ-HNNXBMFYSA-N 1 1 299.418 2.906 50 0 CFAAMO CCCCc1nc(CN(C)C[C@@H]2CC[N@@H+](CC)C2)c[nH]1 ZINC000670438674 540995127 /nfs/dbraw/zinc/99/51/27/540995127.db2.gz FWNTZYPFXJHVTH-AWEZNQCLSA-N 1 1 278.444 2.526 50 0 CFAAMO CNC(=O)[C@H]1CC[N@@H+](C/C=C(\C)CCC=C(C)C)C1 ZINC000670438916 540995441 /nfs/dbraw/zinc/99/54/41/540995441.db2.gz YONMDWABNGJIMG-NHXNDTTKSA-N 1 1 264.413 2.747 50 0 CFAAMO CO[C@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)C[C@@H]1O ZINC000670459159 541002644 /nfs/dbraw/zinc/00/26/44/541002644.db2.gz UNHBIJOWVCNVEB-GJZGRUSLSA-N 1 1 267.413 2.595 50 0 CFAAMO CC/C=C\CCC[N@H+]1CCC[C@@H](CCC(=O)NC)C1 ZINC000670455613 541001197 /nfs/dbraw/zinc/00/11/97/541001197.db2.gz QKQUXYIULRTDLL-XVWMLYKFSA-N 1 1 266.429 2.971 50 0 CFAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2[nH]c3ccc(C)cc3c2C)C1 ZINC000670462584 541004173 /nfs/dbraw/zinc/00/41/73/541004173.db2.gz JMBQTBHOAWEQTF-CQSZACIVSA-N 1 1 299.418 2.743 50 0 CFAAMO c1cc([C@@H]2CCC[N@@H+](C3CSCCSC3)C2)ncn1 ZINC000670462959 541005285 /nfs/dbraw/zinc/00/52/85/541005285.db2.gz NUEJMICUHZHJME-GFCCVEGCSA-N 1 1 295.477 2.505 50 0 CFAAMO COc1cc(F)c(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c(F)c1 ZINC000670465986 541006229 /nfs/dbraw/zinc/00/62/29/541006229.db2.gz NWXWVFBWHJDPHW-SNVBAGLBSA-N 1 1 285.334 2.566 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCO2 ZINC000670469575 541008184 /nfs/dbraw/zinc/00/81/84/541008184.db2.gz LQVZIMISYQQGBH-ZSHCYNCHSA-N 1 1 273.376 2.763 50 0 CFAAMO CC(C)n1cc(C[N@@H+](C)CCCn2cccc2)cn1 ZINC000670470311 541009042 /nfs/dbraw/zinc/00/90/42/541009042.db2.gz ZSLCWCKHPPBOQU-UHFFFAOYSA-N 1 1 260.385 2.788 50 0 CFAAMO CC(C)c1cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)no1 ZINC000670473338 541011597 /nfs/dbraw/zinc/01/15/97/541011597.db2.gz NOGKDPSHZJLQML-CYBMUJFWSA-N 1 1 266.385 2.781 50 0 CFAAMO CC(C)c1cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)no1 ZINC000670473338 541011601 /nfs/dbraw/zinc/01/16/01/541011601.db2.gz NOGKDPSHZJLQML-CYBMUJFWSA-N 1 1 266.385 2.781 50 0 CFAAMO Cc1nc(C)c(C(=O)N(C)Cc2ccc3c(c2)C[N@H+](C)C3)o1 ZINC000823806236 781938318 /nfs/dbraw/zinc/93/83/18/781938318.db2.gz FLCHPJKTOVFRRE-UHFFFAOYSA-N 1 1 299.374 2.509 50 0 CFAAMO Cc1ccc(C[NH+]2CCC3(COC(=O)O3)CC2)c(F)c1F ZINC000216245383 189702206 /nfs/dbraw/zinc/70/22/06/189702206.db2.gz JZEVXMYJWXEREH-UHFFFAOYSA-N 1 1 297.301 2.775 50 0 CFAAMO CNC(=O)CC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000230166314 189806959 /nfs/dbraw/zinc/80/69/59/189806959.db2.gz MUMVJEOVVMZBOW-RDJZCZTQSA-N 1 1 272.392 2.524 50 0 CFAAMO COc1ccc(OC)c(C[N@@H+](C)CCc2ccccn2)c1 ZINC000000200575 371556211 /nfs/dbraw/zinc/55/62/11/371556211.db2.gz CKLVJTDAVQSQRW-UHFFFAOYSA-N 1 1 286.375 2.773 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000000199270 371556701 /nfs/dbraw/zinc/55/67/01/371556701.db2.gz HVRYXSKVRXPHNJ-NSHDSACASA-N 1 1 259.271 2.662 50 0 CFAAMO OCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1F ZINC000000212864 371558434 /nfs/dbraw/zinc/55/84/34/371558434.db2.gz UBVVSDYWFDOMOU-UHFFFAOYSA-N 1 1 277.314 2.959 50 0 CFAAMO OCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1F ZINC000000212864 371558440 /nfs/dbraw/zinc/55/84/40/371558440.db2.gz UBVVSDYWFDOMOU-UHFFFAOYSA-N 1 1 277.314 2.959 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000000211735 371559563 /nfs/dbraw/zinc/55/95/63/371559563.db2.gz LYEUTTLOUGQRTB-LBPRGKRZSA-N 1 1 284.197 2.796 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)o2)C1 ZINC000000214430 371560907 /nfs/dbraw/zinc/56/09/07/371560907.db2.gz NCTQOYKZQROFFX-AWEZNQCLSA-N 1 1 278.396 2.668 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000000238332 371563841 /nfs/dbraw/zinc/56/38/41/371563841.db2.gz AMKUTZRLOAXXMQ-CYBMUJFWSA-N 1 1 265.328 2.601 50 0 CFAAMO CCOc1ccccc1C[N@H+](C)C1CCN(C)CC1 ZINC000000240661 371566326 /nfs/dbraw/zinc/56/63/26/371566326.db2.gz MVNRRVUWVKJOHU-UHFFFAOYSA-N 1 1 262.397 2.611 50 0 CFAAMO CCOc1ccccc1C[N@@H+](C)C1CCN(C)CC1 ZINC000000240661 371566334 /nfs/dbraw/zinc/56/63/34/371566334.db2.gz MVNRRVUWVKJOHU-UHFFFAOYSA-N 1 1 262.397 2.611 50 0 CFAAMO COc1cc(C[N@H+]2CCc3ccccc3C2)ccc1O ZINC000000239818 371566591 /nfs/dbraw/zinc/56/65/91/371566591.db2.gz BENCJXKELSLPQJ-UHFFFAOYSA-N 1 1 269.344 2.959 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000000243700 371566720 /nfs/dbraw/zinc/56/67/20/371566720.db2.gz DJXVUKSGMPSAOZ-MRXNPFEDSA-N 1 1 275.392 2.894 50 0 CFAAMO O=C(CN1c2ccccc2N2CCC[NH+]=C12)c1ccccc1 ZINC000000292891 371579100 /nfs/dbraw/zinc/57/91/00/371579100.db2.gz MVUGYMAESNOJBT-UHFFFAOYSA-N 1 1 291.354 2.956 50 0 CFAAMO C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000000307940 371584709 /nfs/dbraw/zinc/58/47/09/371584709.db2.gz YUKPBDFINAGLRT-HNNXBMFYSA-N 1 1 281.371 2.830 50 0 CFAAMO C[C@@H]1CC[C@@H](COC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000000522756 371633464 /nfs/dbraw/zinc/63/34/64/371633464.db2.gz TUWFNZHZUSMXEP-RDBSUJKOSA-N 1 1 253.386 2.698 50 0 CFAAMO CCSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000000527664 371635855 /nfs/dbraw/zinc/63/58/55/371635855.db2.gz OQVMEGPHZMBXFC-NSHDSACASA-N 1 1 288.376 2.905 50 0 CFAAMO C[N@H+]1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000000977219 371654946 /nfs/dbraw/zinc/65/49/46/371654946.db2.gz TVRFABREAYQAQA-IEBWSBKVSA-N 1 1 295.382 2.709 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1C ZINC000001087483 371662226 /nfs/dbraw/zinc/66/22/26/371662226.db2.gz UVAZQQHAVMNMHE-XJKSGUPXSA-N 1 1 261.365 2.807 50 0 world CFAAMO CC(C)=CCC/C(C)=C/C[N@H+](C[C@@H](C)O)C[C@H](C)O ZINC000002464046 371728615 /nfs/dbraw/zinc/72/86/15/371728615.db2.gz RZZINQFSDGIYIW-SZWOSNRGSA-N 1 1 269.429 2.743 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000002811270 371757502 /nfs/dbraw/zinc/75/75/02/371757502.db2.gz XYSDEKXVMVPYIW-NSHDSACASA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000002811270 371757507 /nfs/dbraw/zinc/75/75/07/371757507.db2.gz XYSDEKXVMVPYIW-NSHDSACASA-N 1 1 260.164 2.950 50 0 CFAAMO C[N@@H+](C[C@@H](O)COCc1ccccc1F)C1CCCCC1 ZINC000003179352 371777186 /nfs/dbraw/zinc/77/71/86/371777186.db2.gz BSICEDXWGRDIRH-MRXNPFEDSA-N 1 1 295.398 2.968 50 0 CFAAMO C[N@@H+](C[C@@H](O)COCc1cccs1)C1CCCCC1 ZINC000003241755 371783429 /nfs/dbraw/zinc/78/34/29/371783429.db2.gz OEOHZDIFLMOPMO-CQSZACIVSA-N 1 1 283.437 2.890 50 0 CFAAMO CCCC[N@@H+](C)CCOCCOc1ccccc1 ZINC000003461167 371802464 /nfs/dbraw/zinc/80/24/64/371802464.db2.gz QCRMEFWCEOCIEZ-UHFFFAOYSA-N 1 1 251.370 2.814 50 0 CFAAMO CCCC[N@@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000004679648 371871455 /nfs/dbraw/zinc/87/14/55/371871455.db2.gz LXWFMMZBGPQRAS-UHFFFAOYSA-N 1 1 267.369 2.944 50 0 CFAAMO COc1ccc2c(C)cc(N3CCC[N@@H+](C)CC3)nc2c1 ZINC000004996825 371878177 /nfs/dbraw/zinc/87/81/77/371878177.db2.gz HUQNEFYWZNSUAL-UHFFFAOYSA-N 1 1 285.391 2.694 50 0 CFAAMO Cc1ccc(-n2nnnc2C2([NH+](C)C)CCCCC2)cc1 ZINC000005363672 371879829 /nfs/dbraw/zinc/87/98/29/371879829.db2.gz JEZHLTPEBBYWJF-UHFFFAOYSA-N 1 1 285.395 2.692 50 0 CFAAMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000004135248 371836738 /nfs/dbraw/zinc/83/67/38/371836738.db2.gz GCHIHZIMIPPUGG-JKSUJKDBSA-N 1 1 277.408 2.918 50 0 CFAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)c(F)c1 ZINC000007447202 371894650 /nfs/dbraw/zinc/89/46/50/371894650.db2.gz PIOUWDBTKJDIAA-UHFFFAOYSA-N 1 1 264.344 2.805 50 0 CFAAMO C[NH2+]C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000011888808 371933486 /nfs/dbraw/zinc/93/34/86/371933486.db2.gz UBQXDXFPOHBPAE-AWEZNQCLSA-N 1 1 266.816 2.814 50 0 CFAAMO CC(C)(CO)C[N@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000012432527 371962242 /nfs/dbraw/zinc/96/22/42/371962242.db2.gz KXBPOCNAXRGOLG-HNNXBMFYSA-N 1 1 280.387 2.721 50 0 CFAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000012572259 371976271 /nfs/dbraw/zinc/97/62/71/371976271.db2.gz RVFSVTXQEJTPFC-MRXNPFEDSA-N 1 1 298.386 2.717 50 0 CFAAMO Cc1ccc(C[N@H+](C)Cn2c3ccccc3oc2=O)cc1 ZINC000012852018 371990721 /nfs/dbraw/zinc/99/07/21/371990721.db2.gz HDVCLIAOPSWLEK-UHFFFAOYSA-N 1 1 282.343 2.992 50 0 CFAAMO Cc1ccc(C[N@@H+](C)Cn2c3ccccc3oc2=O)cc1 ZINC000012852018 371990727 /nfs/dbraw/zinc/99/07/27/371990727.db2.gz HDVCLIAOPSWLEK-UHFFFAOYSA-N 1 1 282.343 2.992 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1)c1ccco1 ZINC000012935091 372001097 /nfs/dbraw/zinc/00/10/97/372001097.db2.gz CQSOSKIJISVEKM-CYBMUJFWSA-N 1 1 291.326 2.843 50 0 CFAAMO C[NH+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000013322973 372023425 /nfs/dbraw/zinc/02/34/25/372023425.db2.gz WCLDOABWKOMSPD-UHFFFAOYSA-N 1 1 291.576 2.603 50 0 CFAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)C1)c1cccs1 ZINC000012993424 372007943 /nfs/dbraw/zinc/00/79/43/372007943.db2.gz XWPRXRQVSRXMKZ-NEPJUHHUSA-N 1 1 266.410 2.657 50 0 CFAAMO CC(C)Oc1cccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016489132 372106871 /nfs/dbraw/zinc/10/68/71/372106871.db2.gz VITBNTOTHBSZCC-GASCZTMLSA-N 1 1 293.407 2.962 50 0 CFAAMO CC(C)Oc1cccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016489132 372106874 /nfs/dbraw/zinc/10/68/74/372106874.db2.gz VITBNTOTHBSZCC-GASCZTMLSA-N 1 1 293.407 2.962 50 0 CFAAMO C[C@@H](C(=O)NCc1ccco1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000016699585 372117763 /nfs/dbraw/zinc/11/77/63/372117763.db2.gz BRUACDORBRZLDY-KBPBESRZSA-N 1 1 286.375 2.977 50 0 CFAAMO O=C(Nc1ccc(F)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000015769599 372091125 /nfs/dbraw/zinc/09/11/25/372091125.db2.gz MURDIYPCWHRUHD-UHFFFAOYSA-N 1 1 289.310 2.662 50 0 CFAAMO c1ccc(C[N@@H+]2CCc3nc(N4CCCC4)ncc3C2)cc1 ZINC000015779336 372091440 /nfs/dbraw/zinc/09/14/40/372091440.db2.gz PLEQRIWSIJKSCC-UHFFFAOYSA-N 1 1 294.402 2.635 50 0 CFAAMO c1ccc(C[N@H+]2CCc3nc(N4CCCC4)ncc3C2)cc1 ZINC000015779336 372091442 /nfs/dbraw/zinc/09/14/42/372091442.db2.gz PLEQRIWSIJKSCC-UHFFFAOYSA-N 1 1 294.402 2.635 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047107 372098338 /nfs/dbraw/zinc/09/83/38/372098338.db2.gz UFYZJQUGCBFORI-NSHDSACASA-N 1 1 265.328 2.924 50 0 CFAAMO CC[C@H]1CN(Cc2[nH]c(-c3ccccc3)nc2C)CC[N@H+]1C ZINC000019732971 372182565 /nfs/dbraw/zinc/18/25/65/372182565.db2.gz JTGGZFBAYCFZMV-INIZCTEOSA-N 1 1 298.434 2.911 50 0 CFAAMO Nc1nc2c(s1)C[N@@H+](CCCc1ccccc1)CC2 ZINC000019976247 372218590 /nfs/dbraw/zinc/21/85/90/372218590.db2.gz ADCCYRSKHFJERX-UHFFFAOYSA-N 1 1 273.405 2.716 50 0 CFAAMO Nc1nc2c(s1)C[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000019976272 372218627 /nfs/dbraw/zinc/21/86/27/372218627.db2.gz CNWFDOWIHNENSD-QPJJXVBHSA-N 1 1 271.389 2.797 50 0 CFAAMO CC(C)CN1CC[N@@H+](CC2CCCCC2)C[C@@H]1CCO ZINC000020908065 372242190 /nfs/dbraw/zinc/24/21/90/372242190.db2.gz IHDOETOXKDVUDD-KRWDZBQOSA-N 1 1 282.472 2.591 50 0 CFAAMO CC(C)C[N@@H+]1CCN(CC2CCCCC2)C[C@@H]1CCO ZINC000020908065 372242201 /nfs/dbraw/zinc/24/22/01/372242201.db2.gz IHDOETOXKDVUDD-KRWDZBQOSA-N 1 1 282.472 2.591 50 0 CFAAMO CC(C)C[N@H+]1CCN(CC2CCCCC2)C[C@@H]1CCO ZINC000020908065 372242210 /nfs/dbraw/zinc/24/22/10/372242210.db2.gz IHDOETOXKDVUDD-KRWDZBQOSA-N 1 1 282.472 2.591 50 0 CFAAMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccn2)c1 ZINC000020091646 372228211 /nfs/dbraw/zinc/22/82/11/372228211.db2.gz OXSBBVWWAJKIPX-GFCCVEGCSA-N 1 1 269.348 2.891 50 0 CFAAMO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000019770967 372184431 /nfs/dbraw/zinc/18/44/31/372184431.db2.gz APIUPJBSGRUJHZ-ZDUSSCGKSA-N 1 1 284.407 2.521 50 0 CFAAMO CCc1ccc(OCCNCC[NH+](CC)CC)cc1 ZINC000019737641 372184883 /nfs/dbraw/zinc/18/48/83/372184883.db2.gz YGMRKQNRNRRYAC-UHFFFAOYSA-N 1 1 264.413 2.559 50 0 CFAAMO O[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000019799194 372189659 /nfs/dbraw/zinc/18/96/59/372189659.db2.gz FVLVBRMZBPQASS-KRWDZBQOSA-N 1 1 271.335 2.919 50 0 CFAAMO CC(C)c1ccc(OCCCC[NH+]2CCNCC2)cc1 ZINC000019831598 372191855 /nfs/dbraw/zinc/19/18/55/372191855.db2.gz LKWQEFDXSQWUDI-UHFFFAOYSA-N 1 1 276.424 2.874 50 0 CFAAMO c1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000020908663 372241086 /nfs/dbraw/zinc/24/10/86/372241086.db2.gz AVCCESFBTCKRGF-LJQANCHMSA-N 1 1 299.462 2.826 50 0 CFAAMO CCC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000019871140 372201555 /nfs/dbraw/zinc/20/15/55/372201555.db2.gz CDUNESFEHJRCRW-UHFFFAOYSA-N 1 1 264.344 2.560 50 0 CFAAMO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(F)cc1F ZINC000025062343 372289517 /nfs/dbraw/zinc/28/95/17/372289517.db2.gz CUBSELCTTNFWLV-UHFFFAOYSA-N 1 1 290.313 2.696 50 0 CFAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(F)cc1F ZINC000025062343 372289522 /nfs/dbraw/zinc/28/95/22/372289522.db2.gz CUBSELCTTNFWLV-UHFFFAOYSA-N 1 1 290.313 2.696 50 0 CFAAMO c1ccc(C[C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000022027823 372244247 /nfs/dbraw/zinc/24/42/47/372244247.db2.gz AJNDRRBUHVZNKU-GOSISDBHSA-N 1 1 266.388 2.703 50 0 CFAAMO c1ccc(C[C@@H]2C[N@@H+](Cc3ccccc3)CCN2)cc1 ZINC000022027823 372244256 /nfs/dbraw/zinc/24/42/56/372244256.db2.gz AJNDRRBUHVZNKU-GOSISDBHSA-N 1 1 266.388 2.703 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OC ZINC000022936501 372247599 /nfs/dbraw/zinc/24/75/99/372247599.db2.gz REMSDNMEXZJTNR-AWEZNQCLSA-N 1 1 282.815 2.923 50 0 CFAAMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC ZINC000022936501 372247611 /nfs/dbraw/zinc/24/76/11/372247611.db2.gz REMSDNMEXZJTNR-AWEZNQCLSA-N 1 1 282.815 2.923 50 0 CFAAMO Cc1ccccc1CN1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000022913371 372247848 /nfs/dbraw/zinc/24/78/48/372247848.db2.gz FHEORWDDWWSIRR-SFHVURJKSA-N 1 1 290.451 2.520 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2F)on1 ZINC000022911112 372248713 /nfs/dbraw/zinc/24/87/13/372248713.db2.gz WZKPSMDJWZEJAW-MNOVXSKESA-N 1 1 291.326 2.800 50 0 CFAAMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000023311898 372258550 /nfs/dbraw/zinc/25/85/50/372258550.db2.gz DARCETHXGXTKJN-LLVKDONJSA-N 1 1 266.410 2.901 50 0 CFAAMO C[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCCC1 ZINC000023624721 372262755 /nfs/dbraw/zinc/26/27/55/372262755.db2.gz KAJZJBBIDNUQGW-UHFFFAOYSA-N 1 1 291.782 2.951 50 0 CFAAMO C[N@@H+]1CCN(C(=O)/C=C/c2ccco2)[C@H](c2ccccc2)C1 ZINC000030028987 372389084 /nfs/dbraw/zinc/38/90/84/372389084.db2.gz QRUMVTVVSGEMER-FVNWOWOISA-N 1 1 296.370 2.808 50 0 CFAAMO C[N@H+]1CCN(C(=O)/C=C/c2ccco2)[C@H](c2ccccc2)C1 ZINC000030028987 372389088 /nfs/dbraw/zinc/38/90/88/372389088.db2.gz QRUMVTVVSGEMER-FVNWOWOISA-N 1 1 296.370 2.808 50 0 CFAAMO CC(=O)c1c(C)cc(C)c(C[N@@H+](CC(N)=O)C(C)C)c1C ZINC000031345633 372408832 /nfs/dbraw/zinc/40/88/32/372408832.db2.gz BSBMDTDUIMGFRQ-UHFFFAOYSA-N 1 1 290.407 2.510 50 0 CFAAMO CC(=O)c1c(C)cc(C)c(C[N@H+](CC(N)=O)C(C)C)c1C ZINC000031345633 372408838 /nfs/dbraw/zinc/40/88/38/372408838.db2.gz BSBMDTDUIMGFRQ-UHFFFAOYSA-N 1 1 290.407 2.510 50 0 CFAAMO CCOCc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000028386618 372363685 /nfs/dbraw/zinc/36/36/85/372363685.db2.gz IKNGTTFDBGOXAW-KRWDZBQOSA-N 1 1 298.386 2.539 50 0 CFAAMO CCN1CCC[C@H]([N@H+]2CCC[C@@H](CCCOC)C2)C1 ZINC000032500585 372441641 /nfs/dbraw/zinc/44/16/41/372441641.db2.gz NPFJQSFDXRVZQX-HOTGVXAUSA-N 1 1 268.445 2.609 50 0 CFAAMO Cc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000032788581 372463099 /nfs/dbraw/zinc/46/30/99/372463099.db2.gz JGFABYLTHYHGJN-QGZVFWFLSA-N 1 1 298.386 2.869 50 0 CFAAMO Cc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000035075007 372535124 /nfs/dbraw/zinc/53/51/24/372535124.db2.gz AXOOJLOJCMLUJF-RDJZCZTQSA-N 1 1 277.408 2.604 50 0 CFAAMO CCOC(C[N@@H+](C)Cc1ccc(OC)c(OC)c1)OCC ZINC000034370397 372507736 /nfs/dbraw/zinc/50/77/36/372507736.db2.gz UHKKJQFDEZZXHC-UHFFFAOYSA-N 1 1 297.395 2.535 50 0 CFAAMO COc1ccc(-c2[nH+]c3cc(C)ccn3c2N)cc1OC ZINC000035959193 372553644 /nfs/dbraw/zinc/55/36/44/372553644.db2.gz OEIBJOJPQSGRJU-UHFFFAOYSA-N 1 1 283.331 2.909 50 0 CFAAMO CCC[N@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1 ZINC000036030962 372554177 /nfs/dbraw/zinc/55/41/77/372554177.db2.gz UQTVQFOIKZMINA-OAHLLOKOSA-N 1 1 289.375 2.932 50 0 CFAAMO CC[C@@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036095647 372557670 /nfs/dbraw/zinc/55/76/70/372557670.db2.gz ZSWCZBFZDGRFOZ-OAHLLOKOSA-N 1 1 295.423 2.933 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037142119 372655315 /nfs/dbraw/zinc/65/53/15/372655315.db2.gz DOICJUOBAFWQJM-GHMZBOCLSA-N 1 1 261.291 2.929 50 0 CFAAMO CCOc1cc(CNC[C@H]2CC[N@H+](CC)C2)ccc1OC ZINC000037644237 372681725 /nfs/dbraw/zinc/68/17/25/372681725.db2.gz LKLLGNPVOCCTPT-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1cc(CNC[C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000037644237 372681730 /nfs/dbraw/zinc/68/17/30/372681730.db2.gz LKLLGNPVOCCTPT-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCN1CCC[C@@H]([N@H+]2CCC[C@H](CCCOC)C2)C1 ZINC000042437812 372924826 /nfs/dbraw/zinc/92/48/26/372924826.db2.gz NPFJQSFDXRVZQX-HZPDHXFCSA-N 1 1 268.445 2.609 50 0 CFAAMO CCc1ccc2ncn(CC[C@@H]3CCCC[N@H+]3C)c(=O)c2c1 ZINC000042948916 372968137 /nfs/dbraw/zinc/96/81/37/372968137.db2.gz ZBHMKFXPOKPKDO-HNNXBMFYSA-N 1 1 299.418 2.833 50 0 CFAAMO COc1ccc(C[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000042976105 372968486 /nfs/dbraw/zinc/96/84/86/372968486.db2.gz YTGCNOMAXJXHCX-UHFFFAOYSA-N 1 1 260.337 2.932 50 0 CFAAMO COc1ccc(C[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000042976105 372968490 /nfs/dbraw/zinc/96/84/90/372968490.db2.gz YTGCNOMAXJXHCX-UHFFFAOYSA-N 1 1 260.337 2.932 50 0 CFAAMO c1ccc2sc(N[C@H]3CC[N@H+](C4CC4)C3)nc2c1 ZINC000044411774 373003985 /nfs/dbraw/zinc/00/39/85/373003985.db2.gz KXAXAJJOFYVLSS-JTQLQIEISA-N 1 1 259.378 2.945 50 0 CFAAMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](O)C2)c1C ZINC000048343698 373165389 /nfs/dbraw/zinc/16/53/89/373165389.db2.gz SFICLZHPYVZWMV-OAHLLOKOSA-N 1 1 275.392 2.771 50 0 CFAAMO Cc1noc(C)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000048615002 373207779 /nfs/dbraw/zinc/20/77/79/373207779.db2.gz BWJQYDZOCMXFHF-UHFFFAOYSA-N 1 1 289.354 2.753 50 0 CFAAMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000049423169 373294806 /nfs/dbraw/zinc/29/48/06/373294806.db2.gz CWYOEHVZOYNOJB-AWEZNQCLSA-N 1 1 278.371 2.562 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000049479573 373302467 /nfs/dbraw/zinc/30/24/67/373302467.db2.gz RRMZPRHKXOIPOT-ZDUSSCGKSA-N 1 1 278.371 2.676 50 0 CFAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCC(C)C ZINC000051451258 373397658 /nfs/dbraw/zinc/39/76/58/373397658.db2.gz NTLJVWSVOCHAFO-HNNXBMFYSA-N 1 1 265.397 2.713 50 0 CFAAMO COCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000051560133 373401474 /nfs/dbraw/zinc/40/14/74/373401474.db2.gz PUNOODDLDKSOHP-CQSZACIVSA-N 1 1 277.364 2.631 50 0 CFAAMO Cn1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1=O ZINC000052106157 373437359 /nfs/dbraw/zinc/43/73/59/373437359.db2.gz FRHDXTKQKZMUAD-GOSISDBHSA-N 1 1 296.414 2.983 50 0 CFAAMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000052861386 373452471 /nfs/dbraw/zinc/45/24/71/373452471.db2.gz MTOCDDHHCDUNDF-ZDUSSCGKSA-N 1 1 275.327 2.897 50 0 CFAAMO Cn1cnnc1C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000054174662 373503142 /nfs/dbraw/zinc/50/31/42/373503142.db2.gz MYMMVXDJUCQBIV-UHFFFAOYSA-N 1 1 278.359 2.772 50 0 CFAAMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cccc2nonc21 ZINC000055089596 373539358 /nfs/dbraw/zinc/53/93/58/373539358.db2.gz HBIQVZXPRULXRQ-UHFFFAOYSA-N 1 1 299.378 2.615 50 0 CFAAMO CSCCC[N@@H+](CCCO)Cc1ccc(C)s1 ZINC000055168256 373543800 /nfs/dbraw/zinc/54/38/00/373543800.db2.gz BNAFSAZBZJVXNI-UHFFFAOYSA-N 1 1 273.467 2.994 50 0 CFAAMO COc1ccccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000055543645 373556805 /nfs/dbraw/zinc/55/68/05/373556805.db2.gz PKZQXDLCGDIYQN-UHFFFAOYSA-N 1 1 298.386 2.723 50 0 CFAAMO C[N@H+](CCc1cccs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058185855 373631491 /nfs/dbraw/zinc/63/14/91/373631491.db2.gz YHBWNMIKFGDDJU-UHFFFAOYSA-N 1 1 299.399 2.659 50 0 CFAAMO C[N@@H+](CCc1cccs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058185855 373631497 /nfs/dbraw/zinc/63/14/97/373631497.db2.gz YHBWNMIKFGDDJU-UHFFFAOYSA-N 1 1 299.399 2.659 50 0 CFAAMO Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058216831 373634267 /nfs/dbraw/zinc/63/42/67/373634267.db2.gz CMZFWYYMPLSVNI-GFCCVEGCSA-N 1 1 284.359 2.708 50 0 CFAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCCCC1 ZINC000058246541 373637450 /nfs/dbraw/zinc/63/74/50/373637450.db2.gz NWQOBGHKWLWLEL-QLFBSQMISA-N 1 1 295.471 2.985 50 0 CFAAMO COC(=O)c1occc1C[N@@H+](C)C1CCCCC1 ZINC000057941363 373618718 /nfs/dbraw/zinc/61/87/18/373618718.db2.gz TYIIPVQGAUJVAX-UHFFFAOYSA-N 1 1 251.326 2.831 50 0 CFAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCn1cccn1 ZINC000058525308 373661562 /nfs/dbraw/zinc/66/15/62/373661562.db2.gz VRIYDXCKHKBNKV-INIZCTEOSA-N 1 1 285.391 2.599 50 0 CFAAMO CCc1[nH+]ccn1CC1CCN(C(=O)c2ccco2)CC1 ZINC000062129822 373750153 /nfs/dbraw/zinc/75/01/53/373750153.db2.gz AZABJJWUYZMLPU-UHFFFAOYSA-N 1 1 287.363 2.591 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC000063835163 373815197 /nfs/dbraw/zinc/81/51/97/373815197.db2.gz ZWGRFFNKRDUGAO-OAHLLOKOSA-N 1 1 266.429 2.803 50 0 CFAAMO Cc1cc2ccccc2nc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000063105993 373787049 /nfs/dbraw/zinc/78/70/49/373787049.db2.gz FRICJPRPOFHIIX-AWEZNQCLSA-N 1 1 285.391 2.676 50 0 CFAAMO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccccc1-c1ccco1 ZINC000065533893 373884910 /nfs/dbraw/zinc/88/49/10/373884910.db2.gz WGFHZZHBJQCYGU-ZDUSSCGKSA-N 1 1 286.375 2.855 50 0 CFAAMO Cc1ncc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000065552726 373886876 /nfs/dbraw/zinc/88/68/76/373886876.db2.gz LVMDYHGHKSSNJK-ZDUSSCGKSA-N 1 1 288.420 2.781 50 0 CFAAMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000065553980 373887363 /nfs/dbraw/zinc/88/73/63/373887363.db2.gz HBNDWULGNINPDI-IAGOWNOFSA-N 1 1 286.419 2.923 50 0 CFAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(OC)c1 ZINC000065621637 373896378 /nfs/dbraw/zinc/89/63/78/373896378.db2.gz NEAHOXGENLRKGX-GFCCVEGCSA-N 1 1 279.384 2.547 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccncc2)cc1 ZINC000065201750 373848894 /nfs/dbraw/zinc/84/88/94/373848894.db2.gz WHPPSLCPRKUKJM-UHFFFAOYSA-N 1 1 292.342 2.506 50 0 CFAAMO CCCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000065287928 373852135 /nfs/dbraw/zinc/85/21/35/373852135.db2.gz SSQVULFWLFXTGG-CQSZACIVSA-N 1 1 274.368 2.661 50 0 CFAAMO CCc1nnc([C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]1 ZINC000065286905 373853249 /nfs/dbraw/zinc/85/32/49/373853249.db2.gz PZSYRRJITYLZMJ-NSHDSACASA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1n[nH]c([C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000065286905 373853260 /nfs/dbraw/zinc/85/32/60/373853260.db2.gz PZSYRRJITYLZMJ-NSHDSACASA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000065286905 373853266 /nfs/dbraw/zinc/85/32/66/373853266.db2.gz PZSYRRJITYLZMJ-NSHDSACASA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1nc([C@H]2CCC[N@H+](Cc3cccs3)C2)n[nH]1 ZINC000065286905 373853274 /nfs/dbraw/zinc/85/32/74/373853274.db2.gz PZSYRRJITYLZMJ-NSHDSACASA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1nc([C@H]2CCC[N@@H+](Cc3cccs3)C2)n[nH]1 ZINC000065286905 373853282 /nfs/dbraw/zinc/85/32/82/373853282.db2.gz PZSYRRJITYLZMJ-NSHDSACASA-N 1 1 276.409 2.808 50 0 CFAAMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065387410 373864009 /nfs/dbraw/zinc/86/40/09/373864009.db2.gz JPSLWERXQHBIPQ-AWEZNQCLSA-N 1 1 293.374 2.855 50 0 CFAAMO C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2ncccc12 ZINC000065387885 373864259 /nfs/dbraw/zinc/86/42/59/373864259.db2.gz PZTMYHRVPSVGPT-UHFFFAOYSA-N 1 1 282.343 2.952 50 0 CFAAMO CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCO1 ZINC000065464717 373875765 /nfs/dbraw/zinc/87/57/65/373875765.db2.gz XIAKNNSBIQCBPW-MRXNPFEDSA-N 1 1 276.380 2.646 50 0 CFAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000065491575 373877450 /nfs/dbraw/zinc/87/74/50/373877450.db2.gz CHUWZURSOHVIPN-ZDUSSCGKSA-N 1 1 295.386 2.510 50 0 CFAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2cccn2C)cc1 ZINC000068101220 374022687 /nfs/dbraw/zinc/02/26/87/374022687.db2.gz JUHKRKBEKGXIAE-UHFFFAOYSA-N 1 1 294.358 2.831 50 0 CFAAMO C[N@H+]1CCC[C@H](CCNC(=O)CCC2CCCC2)C1 ZINC000067714275 373997066 /nfs/dbraw/zinc/99/70/66/373997066.db2.gz SMDDTRWOKWYCCO-OAHLLOKOSA-N 1 1 266.429 2.805 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000067754804 373999213 /nfs/dbraw/zinc/99/92/13/373999213.db2.gz RLKJTWOUNDOAFN-NNSJBKGDSA-N 1 1 252.402 2.581 50 0 CFAAMO Cc1cccc(-n2cnnc2[C@@H](C)[NH+]2CCCC2)c1 ZINC000067784934 374001521 /nfs/dbraw/zinc/00/15/21/374001521.db2.gz XJEPTUIODLAFJK-CYBMUJFWSA-N 1 1 256.353 2.733 50 0 CFAAMO CCc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC)C2)[nH]n1 ZINC000067840365 374007344 /nfs/dbraw/zinc/00/73/44/374007344.db2.gz ZIDNLJCUJNLNEQ-CYBMUJFWSA-N 1 1 287.411 2.637 50 0 CFAAMO Cc1ccc(C[NH+]2CCN(c3ccncc3F)CC2)cc1 ZINC000067934264 374015786 /nfs/dbraw/zinc/01/57/86/374015786.db2.gz PZONEOIDDKSMGP-UHFFFAOYSA-N 1 1 285.366 2.851 50 0 CFAAMO O=C1CCCN1CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000068333588 374028330 /nfs/dbraw/zinc/02/83/30/374028330.db2.gz OHLDXQSJLORDDW-QGZVFWFLSA-N 1 1 284.403 2.761 50 0 CFAAMO Cc1ncc(C[N@@H+](C)C[C@H](O)c2ccccc2F)s1 ZINC000069347639 374056197 /nfs/dbraw/zinc/05/61/97/374056197.db2.gz XXNGFJIJPBXPLD-AWEZNQCLSA-N 1 1 280.368 2.756 50 0 CFAAMO COC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000069418870 374061139 /nfs/dbraw/zinc/06/11/39/374061139.db2.gz RIBVFWSOASHBIJ-UHFFFAOYSA-N 1 1 272.348 2.520 50 0 CFAAMO CC(C)=CC[NH+]1CCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000069464686 374066530 /nfs/dbraw/zinc/06/65/30/374066530.db2.gz FBTMRCDSAVMBSY-CYBMUJFWSA-N 1 1 290.411 2.592 50 0 CFAAMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000069653840 374082688 /nfs/dbraw/zinc/08/26/88/374082688.db2.gz DPADDTCRPRLXQE-OAHLLOKOSA-N 1 1 290.382 2.803 50 0 CFAAMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000069587965 374076753 /nfs/dbraw/zinc/07/67/53/374076753.db2.gz DODQUWIOUFLTCM-LBPRGKRZSA-N 1 1 278.421 2.579 50 0 CFAAMO CCOCCN1CC[N@@H+](CCCc2ccccc2)C[C@@H]1C ZINC000070008503 374113692 /nfs/dbraw/zinc/11/36/92/374113692.db2.gz YHRFFBSZTCOEOK-KRWDZBQOSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@@H+]1CCN(CCCc2ccccc2)C[C@@H]1C ZINC000070008503 374113698 /nfs/dbraw/zinc/11/36/98/374113698.db2.gz YHRFFBSZTCOEOK-KRWDZBQOSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1C ZINC000070008503 374113702 /nfs/dbraw/zinc/11/37/02/374113702.db2.gz YHRFFBSZTCOEOK-KRWDZBQOSA-N 1 1 290.451 2.662 50 0 CFAAMO Cc1oc(C)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1C ZINC000069659062 374083627 /nfs/dbraw/zinc/08/36/27/374083627.db2.gz VUPLHOKAFFESSJ-HUUCEWRRSA-N 1 1 290.407 2.904 50 0 CFAAMO C[N@@H+]1CCN(C(=O)Cc2cccs2)c2ccccc2C1 ZINC000069740709 374091565 /nfs/dbraw/zinc/09/15/65/374091565.db2.gz XFOSMLIQNVQCBY-UHFFFAOYSA-N 1 1 286.400 2.769 50 0 CFAAMO C[N@H+]1CCN(C(=O)Cc2cccs2)c2ccccc2C1 ZINC000069740709 374091569 /nfs/dbraw/zinc/09/15/69/374091569.db2.gz XFOSMLIQNVQCBY-UHFFFAOYSA-N 1 1 286.400 2.769 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000069811582 374099802 /nfs/dbraw/zinc/09/98/02/374099802.db2.gz ZNWHWHAHZPGNJH-LBPRGKRZSA-N 1 1 276.767 2.845 50 0 CFAAMO c1cc(C2CCCC2)nc(N2CCC[N@H+]3CCC[C@H]3C2)n1 ZINC000071767898 374220799 /nfs/dbraw/zinc/22/07/99/374220799.db2.gz NNAROSIHNITBIY-HNNXBMFYSA-N 1 1 286.423 2.809 50 0 CFAAMO CC(C)c1nccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000071754559 374220975 /nfs/dbraw/zinc/22/09/75/374220975.db2.gz XWQSJJHPYDKQCW-YOEHRIQHSA-N 1 1 289.423 2.727 50 0 CFAAMO CC[C@](OC(C)=O)(c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000071772248 374223033 /nfs/dbraw/zinc/22/30/33/374223033.db2.gz JGSQNSNIRULOTK-HOTGVXAUSA-N 1 1 261.365 2.807 50 0 CFAAMO Cc1csc([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)n1 ZINC000072273899 374240155 /nfs/dbraw/zinc/24/01/55/374240155.db2.gz OFGNJHAWOFEUIB-ZDUSSCGKSA-N 1 1 295.452 2.845 50 0 CFAAMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccno1 ZINC000072772104 374284723 /nfs/dbraw/zinc/28/47/23/374284723.db2.gz XOHDPXPUQFBOFG-GFCCVEGCSA-N 1 1 260.337 2.746 50 0 CFAAMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000074941763 374449048 /nfs/dbraw/zinc/44/90/48/374449048.db2.gz JOBKOZLEEYGNFR-CYBMUJFWSA-N 1 1 287.281 2.614 50 0 CFAAMO Cc1ccc(F)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000075130800 374459663 /nfs/dbraw/zinc/45/96/63/374459663.db2.gz NJEGENOMMFBMHD-JKSUJKDBSA-N 1 1 290.382 2.833 50 0 CFAAMO Cc1[nH+]cn(CC(=O)Nc2ccc(F)cc2Cl)c1C ZINC000075138180 374461139 /nfs/dbraw/zinc/46/11/39/374461139.db2.gz IMDUKFTXMJTMFB-UHFFFAOYSA-N 1 1 281.718 2.931 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)[nH]n1 ZINC000078901220 374573039 /nfs/dbraw/zinc/57/30/39/374573039.db2.gz CIKQVGXGROEFQS-CQSZACIVSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](CCc3ccccn3)C2)n[nH]1 ZINC000078901220 374573047 /nfs/dbraw/zinc/57/30/47/374573047.db2.gz CIKQVGXGROEFQS-CQSZACIVSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)n[nH]1 ZINC000078901220 374573052 /nfs/dbraw/zinc/57/30/52/374573052.db2.gz CIKQVGXGROEFQS-CQSZACIVSA-N 1 1 270.380 2.535 50 0 CFAAMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCS(C)(=O)=O ZINC000079035202 374586679 /nfs/dbraw/zinc/58/66/79/374586679.db2.gz VCAGJEIEXJXBQG-OAHLLOKOSA-N 1 1 283.437 2.750 50 0 CFAAMO OCCC[N@@H+](Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000084581877 374783828 /nfs/dbraw/zinc/78/38/28/374783828.db2.gz GCICWRXGUUEBSW-GOSISDBHSA-N 1 1 282.387 2.954 50 0 CFAAMO Cn1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)cn1 ZINC000089755718 374946414 /nfs/dbraw/zinc/94/64/14/374946414.db2.gz GUINCTPGLLTFDH-UHFFFAOYSA-N 1 1 299.296 2.951 50 0 CFAAMO Cn1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)cn1 ZINC000089755718 374946417 /nfs/dbraw/zinc/94/64/17/374946417.db2.gz GUINCTPGLLTFDH-UHFFFAOYSA-N 1 1 299.296 2.951 50 0 CFAAMO COCCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000089929748 374970879 /nfs/dbraw/zinc/97/08/79/374970879.db2.gz IOICSJXRRNJGTG-OAHLLOKOSA-N 1 1 296.455 2.526 50 0 CFAAMO CC(C)c1noc([C@@H](C)[NH2+]C[C@H]2CCCn3ccnc32)n1 ZINC000089893626 374965120 /nfs/dbraw/zinc/96/51/20/374965120.db2.gz HRNCQFHZFBZDRX-VXGBXAGGSA-N 1 1 289.383 2.618 50 0 CFAAMO CC1(C)[C@H](Nc2cc[nH+]cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000089917622 374968454 /nfs/dbraw/zinc/96/84/54/374968454.db2.gz XKAWRWQSAQYDHK-AXTRIDKLSA-N 1 1 252.745 2.960 50 0 CFAAMO NC(=O)c1ccc(C[NH2+][C@H]2CCCc3sccc32)o1 ZINC000090179043 374999265 /nfs/dbraw/zinc/99/92/65/374999265.db2.gz QYSRKYZWPQSXBX-NSHDSACASA-N 1 1 276.361 2.607 50 0 CFAAMO C[C@@H]1C[N@H+](C2CCCCC2)CC[C@@]1(O)C1CCOCC1 ZINC000091914569 375067929 /nfs/dbraw/zinc/06/79/29/375067929.db2.gz CLFOBZNQKMSYDH-PBHICJAKSA-N 1 1 281.440 2.819 50 0 CFAAMO COCC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000093103809 375189558 /nfs/dbraw/zinc/18/95/58/375189558.db2.gz WUEPJLGQZPMKQC-UHFFFAOYSA-N 1 1 273.298 2.962 50 0 CFAAMO Cn1cccc1C[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000093584525 375269823 /nfs/dbraw/zinc/26/98/23/375269823.db2.gz LYZJHBRPLQACNN-UHFFFAOYSA-N 1 1 284.407 2.652 50 0 CFAAMO Cn1cccc1C[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000093584525 375269831 /nfs/dbraw/zinc/26/98/31/375269831.db2.gz LYZJHBRPLQACNN-UHFFFAOYSA-N 1 1 284.407 2.652 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1N(C)C ZINC000093941959 375332741 /nfs/dbraw/zinc/33/27/41/375332741.db2.gz MHWIXIOPYFPLMO-CXAGYDPISA-N 1 1 297.402 2.630 50 0 CFAAMO CC(C)c1nsc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000094266981 375348842 /nfs/dbraw/zinc/34/88/42/375348842.db2.gz ZNHSISAHWMEXAN-GHMZBOCLSA-N 1 1 266.414 2.700 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](Cn2sc3ccccc3c2=O)C1 ZINC000095359914 375419890 /nfs/dbraw/zinc/41/98/90/375419890.db2.gz WHBPJXUOBLNMEB-GFCCVEGCSA-N 1 1 276.405 2.793 50 0 CFAAMO Cc1[nH+]ccn1CCn1c(C)cc(=O)c2ccccc21 ZINC000095379588 375424736 /nfs/dbraw/zinc/42/47/36/375424736.db2.gz PUGWLUBOLHRVIY-UHFFFAOYSA-N 1 1 267.332 2.515 50 0 CFAAMO CCC1(NC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)CC1 ZINC000095384887 375426758 /nfs/dbraw/zinc/42/67/58/375426758.db2.gz WTPJEFCVKGSEQO-AWEZNQCLSA-N 1 1 260.381 2.657 50 0 CFAAMO CCCCn1ccnc1[C@H]1CCC[N@@H+](CCOC)C1 ZINC000095384972 375427199 /nfs/dbraw/zinc/42/71/99/375427199.db2.gz NMEIPKZVWCUFHN-AWEZNQCLSA-N 1 1 265.401 2.509 50 0 CFAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCc3nc[nH]c3C2)o1 ZINC000095387208 375428355 /nfs/dbraw/zinc/42/83/55/375428355.db2.gz CTNLLRREMKGLJS-NSHDSACASA-N 1 1 259.353 2.863 50 0 CFAAMO COc1ccc([C@@H](C)[NH2+]Cc2nncn2C)c2ccccc12 ZINC000095420201 375440843 /nfs/dbraw/zinc/44/08/43/375440843.db2.gz URUCHUXSWOOMKT-GFCCVEGCSA-N 1 1 296.374 2.828 50 0 CFAAMO COC[C@H](O)C[N@@H+](C)C1CCC(c2ccccc2)CC1 ZINC000095431560 375446815 /nfs/dbraw/zinc/44/68/15/375446815.db2.gz LTGUZWUQQJBRCT-OFLPRAFFSA-N 1 1 277.408 2.652 50 0 CFAAMO COC[C@@H](O)C[N@@H+](C)C1CCC(c2ccccc2)CC1 ZINC000095431559 375446985 /nfs/dbraw/zinc/44/69/85/375446985.db2.gz LTGUZWUQQJBRCT-JCYILVPMSA-N 1 1 277.408 2.652 50 0 CFAAMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000095451702 375454790 /nfs/dbraw/zinc/45/47/90/375454790.db2.gz WNYJQJFTZIMPJP-WDEREUQCSA-N 1 1 296.802 2.681 50 0 CFAAMO CCC(C)(C)[NH2+][C@@H](C)C(=O)OCc1cnc(C)s1 ZINC000097164539 375535364 /nfs/dbraw/zinc/53/53/64/375535364.db2.gz DEBBFUJLLASULS-VIFPVBQESA-N 1 1 270.398 2.661 50 0 CFAAMO Cc1ccc(NC[C@@H]2CC[N@H+](CCOC(C)C)C2)nc1 ZINC000097200781 375539569 /nfs/dbraw/zinc/53/95/69/375539569.db2.gz UDAHHPXCXOLRPG-HNNXBMFYSA-N 1 1 277.412 2.549 50 0 CFAAMO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000097228372 375541889 /nfs/dbraw/zinc/54/18/89/375541889.db2.gz DPYDUVCANHHBHH-IUCAKERBSA-N 1 1 276.306 2.606 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cnccn2)C1 ZINC000097047824 375502806 /nfs/dbraw/zinc/50/28/06/375502806.db2.gz PAVPJDFTOOKOFZ-CABCVRRESA-N 1 1 274.412 2.567 50 0 CFAAMO CC(C)(C)[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000097079231 375508460 /nfs/dbraw/zinc/50/84/60/375508460.db2.gz AQOMMHUGMMDKKE-OAHLLOKOSA-N 1 1 285.395 2.885 50 0 CFAAMO CC[C@H]([NH2+]CC(=O)Nc1ccccc1)c1c(C)noc1C ZINC000097111111 375521139 /nfs/dbraw/zinc/52/11/39/375521139.db2.gz LFLQTUWQWPIWFN-AWEZNQCLSA-N 1 1 287.363 2.971 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)/C=C\c2ccco2)cn1 ZINC000097112734 375523415 /nfs/dbraw/zinc/52/34/15/375523415.db2.gz NQWCOHMRSRNZCT-ALCCZGGFSA-N 1 1 294.314 2.821 50 0 CFAAMO O=C(NC1CCCC1)C12CC(C1)C[N@H+]2Cc1ccccc1 ZINC000097124405 375525901 /nfs/dbraw/zinc/52/59/01/375525901.db2.gz FDZWYPRRRTWCAE-UHFFFAOYSA-N 1 1 284.403 2.710 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)o1 ZINC000097139205 375527043 /nfs/dbraw/zinc/52/70/43/375527043.db2.gz ZUVURSWSSPQVGO-CQSZACIVSA-N 1 1 273.380 2.776 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCCO1 ZINC000097244182 375545337 /nfs/dbraw/zinc/54/53/37/375545337.db2.gz QWDCFRGCSXQIAJ-ZDUSSCGKSA-N 1 1 271.364 2.688 50 0 CFAAMO Nc1nc2c(s1)C[N@@H+](C/C=C\c1ccccc1)CC2 ZINC000097372002 375552350 /nfs/dbraw/zinc/55/23/50/375552350.db2.gz CNWFDOWIHNENSD-DAXSKMNVSA-N 1 1 271.389 2.797 50 0 CFAAMO Cn1cnnc1C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000097373868 375553418 /nfs/dbraw/zinc/55/34/18/375553418.db2.gz HPCUMKVITRPSCA-CQSZACIVSA-N 1 1 298.415 2.950 50 0 CFAAMO CC[N@@H+](Cc1nccs1)[C@@H]1CCOC(C)(C)C1 ZINC000097642627 375574998 /nfs/dbraw/zinc/57/49/98/375574998.db2.gz FMBNKPFSAPLCOD-LLVKDONJSA-N 1 1 254.399 2.923 50 0 CFAAMO Cn1cc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cn1 ZINC000120167634 376558478 /nfs/dbraw/zinc/55/84/78/376558478.db2.gz WKHSVDYIJCJLJO-HNNXBMFYSA-N 1 1 291.782 2.727 50 0 CFAAMO CC(C)c1nnc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)o1 ZINC000132553541 377851643 /nfs/dbraw/zinc/85/16/43/377851643.db2.gz IYSGZUGTTSUCFJ-JTQLQIEISA-N 1 1 267.373 2.629 50 0 CFAAMO Cc1cc([C@H]2C[N@@H+](C[C@H]3CCOC3)CCO2)ccc1F ZINC000334391923 379215071 /nfs/dbraw/zinc/21/50/71/379215071.db2.gz WJUZHVWHEBGVAF-CZUORRHYSA-N 1 1 279.355 2.544 50 0 CFAAMO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccccn3)cn2)n1 ZINC000048742956 412917753 /nfs/dbraw/zinc/91/77/53/412917753.db2.gz XNETXXCKIIDBGY-UHFFFAOYSA-N 1 1 293.374 2.569 50 0 CFAAMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC2(CCCC2)C1 ZINC000174270682 379855696 /nfs/dbraw/zinc/85/56/96/379855696.db2.gz QFJQVDJZUAFXIV-OAHLLOKOSA-N 1 1 286.419 2.957 50 0 CFAAMO C[C@H](O)CN1CC[N@@H+](CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000408515555 380935844 /nfs/dbraw/zinc/93/58/44/380935844.db2.gz BRLQJCNQEKRTJM-ULQDDVLXSA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](O)C[N@@H+]1CCN(CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000408515555 380935847 /nfs/dbraw/zinc/93/58/47/380935847.db2.gz BRLQJCNQEKRTJM-ULQDDVLXSA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](O)C[N@H+]1CCN(CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000408515555 380935850 /nfs/dbraw/zinc/93/58/50/380935850.db2.gz BRLQJCNQEKRTJM-ULQDDVLXSA-N 1 1 290.451 2.567 50 0 CFAAMO OCC[N@@H+](Cc1nsc2ccccc21)C1CCC1 ZINC000408525468 380941475 /nfs/dbraw/zinc/94/14/75/380941475.db2.gz APZIJYIXYQYLBB-UHFFFAOYSA-N 1 1 262.378 2.643 50 0 CFAAMO OCC[C@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000342040100 381208190 /nfs/dbraw/zinc/20/81/90/381208190.db2.gz BNFHGFXSCTXDDD-QGZVFWFLSA-N 1 1 299.418 2.999 50 0 CFAAMO Cc1cc(C)n2c(C[N@@H+](C)[C@H](C)c3cccnc3)cnc2n1 ZINC000183717734 381311003 /nfs/dbraw/zinc/31/10/03/381311003.db2.gz GAPGINQTYZWMBY-CQSZACIVSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cc(C)n2c(C[N@H+](C)[C@H](C)c3cccnc3)cnc2n1 ZINC000183717734 381311006 /nfs/dbraw/zinc/31/10/06/381311006.db2.gz GAPGINQTYZWMBY-CQSZACIVSA-N 1 1 295.390 2.934 50 0 CFAAMO CCc1nc(N2CC[C@@H](OCCC(C)C)C2)cc(C)[nH+]1 ZINC000342577157 381409056 /nfs/dbraw/zinc/40/90/56/381409056.db2.gz QIIBETGRQOJWFH-CQSZACIVSA-N 1 1 277.412 2.989 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000000277841 169595279 /nfs/dbraw/zinc/59/52/79/169595279.db2.gz CYROGSYQLSPWNR-DHINHOHASA-N 1 1 273.376 2.975 50 0 CFAAMO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccsc2)C1 ZINC000291299445 381740397 /nfs/dbraw/zinc/74/03/97/381740397.db2.gz QLETXNTTWNWIBU-MRXNPFEDSA-N 1 1 273.401 2.884 50 0 CFAAMO CC[C@H](NC(=O)C[N@@H+](C)C1CCCC1)c1ccc(C)cn1 ZINC000299782890 382045571 /nfs/dbraw/zinc/04/55/71/382045571.db2.gz YTCYNGNQBHPKGI-HNNXBMFYSA-N 1 1 289.423 2.832 50 0 CFAAMO Cc1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274364 382075392 /nfs/dbraw/zinc/07/53/92/382075392.db2.gz ADTGALUMSOTMAN-QGZVFWFLSA-N 1 1 275.392 2.876 50 0 CFAAMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2nnc(C)o2)c1 ZINC000328587301 382550131 /nfs/dbraw/zinc/55/01/31/382550131.db2.gz XZAVMWHTUYPXKU-IAQYHMDHSA-N 1 1 287.363 2.970 50 0 CFAAMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2nnc(C)o2)c1 ZINC000328587301 382550134 /nfs/dbraw/zinc/55/01/34/382550134.db2.gz XZAVMWHTUYPXKU-IAQYHMDHSA-N 1 1 287.363 2.970 50 0 CFAAMO COc1cnccc1[C@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000189566485 382625421 /nfs/dbraw/zinc/62/54/21/382625421.db2.gz VZNWJMCIJGHAPS-LBPRGKRZSA-N 1 1 274.368 2.718 50 0 CFAAMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000191533197 382701278 /nfs/dbraw/zinc/70/12/78/382701278.db2.gz AERCVERYEKOSKV-OPQQBVKSSA-N 1 1 291.326 2.704 50 0 CFAAMO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000191533210 382701325 /nfs/dbraw/zinc/70/13/25/382701325.db2.gz AERCVERYEKOSKV-OUJBWJOFSA-N 1 1 291.326 2.704 50 0 CFAAMO C[C@@H]([NH2+][C@H]1CCSC1)c1nc(Cc2ccccc2)no1 ZINC000191600185 382701461 /nfs/dbraw/zinc/70/14/61/382701461.db2.gz BUTUQNIBDJTDGL-YPMHNXCESA-N 1 1 289.404 2.817 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1CO ZINC000191720317 382702125 /nfs/dbraw/zinc/70/21/25/382702125.db2.gz AKUCITNBBRFQDX-PWSUYJOCSA-N 1 1 289.297 2.645 50 0 CFAAMO Cc1cnc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192144779 382705171 /nfs/dbraw/zinc/70/51/71/382705171.db2.gz RLWKNRFZBKMYTE-UKRRQHHQSA-N 1 1 294.301 2.881 50 0 CFAAMO CC(=O)Nc1ccc(C[N@@H+](C)Cc2c(C)n[nH]c2C)cc1 ZINC000215047053 382777379 /nfs/dbraw/zinc/77/73/79/382777379.db2.gz OMLZOLLTDRACLY-UHFFFAOYSA-N 1 1 286.379 2.617 50 0 CFAAMO CSc1cccc(CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000215025509 382777418 /nfs/dbraw/zinc/77/74/18/382777418.db2.gz FUESOBKYCDTVMJ-UHFFFAOYSA-N 1 1 264.438 2.935 50 0 CFAAMO CSc1cccc(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC000215025509 382777420 /nfs/dbraw/zinc/77/74/20/382777420.db2.gz FUESOBKYCDTVMJ-UHFFFAOYSA-N 1 1 264.438 2.935 50 0 CFAAMO CSc1cccc(C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC000215025509 382777421 /nfs/dbraw/zinc/77/74/21/382777421.db2.gz FUESOBKYCDTVMJ-UHFFFAOYSA-N 1 1 264.438 2.935 50 0 CFAAMO CC1=CC[N@@H+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000215073294 382777569 /nfs/dbraw/zinc/77/75/69/382777569.db2.gz ANVCCKHERUZKLG-UHFFFAOYSA-N 1 1 266.348 2.691 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+]2CCO[C@@H](CCO)C2)s1 ZINC000215282679 382777819 /nfs/dbraw/zinc/77/78/19/382777819.db2.gz QKGCJNFHCDHAHB-ZDUSSCGKSA-N 1 1 283.437 2.530 50 0 CFAAMO CC(C)Cc1ccc(C[N@H+]2CCO[C@@H](CCO)C2)s1 ZINC000215282679 382777820 /nfs/dbraw/zinc/77/78/20/382777820.db2.gz QKGCJNFHCDHAHB-ZDUSSCGKSA-N 1 1 283.437 2.530 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000215218491 382777912 /nfs/dbraw/zinc/77/79/12/382777912.db2.gz QMNWQAMPEZDRNR-CQSZACIVSA-N 1 1 256.349 2.703 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@@H+]1CCCCC[C@H]1CO ZINC000215498697 382779251 /nfs/dbraw/zinc/77/92/51/382779251.db2.gz PIAWZCFGEQFUCM-NSHDSACASA-N 1 1 285.334 2.710 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@H+]1CCCCC[C@H]1CO ZINC000215498697 382779252 /nfs/dbraw/zinc/77/92/52/382779252.db2.gz PIAWZCFGEQFUCM-NSHDSACASA-N 1 1 285.334 2.710 50 0 CFAAMO C[N@@H+](CCn1ccnc1)Cc1ccc2cc(F)ccc2n1 ZINC000215605847 382779529 /nfs/dbraw/zinc/77/95/29/382779529.db2.gz FKTMFRTVRLKYQE-UHFFFAOYSA-N 1 1 284.338 2.702 50 0 CFAAMO CSCCC[N@H+](C)Cc1nc2cc(F)ccc2[nH]1 ZINC000215656767 382779695 /nfs/dbraw/zinc/77/96/95/382779695.db2.gz NMNAPENYNKRZCZ-UHFFFAOYSA-N 1 1 267.373 2.887 50 0 CFAAMO CSCCC[N@@H+](C)Cc1nc2cc(F)ccc2[nH]1 ZINC000215656767 382779698 /nfs/dbraw/zinc/77/96/98/382779698.db2.gz NMNAPENYNKRZCZ-UHFFFAOYSA-N 1 1 267.373 2.887 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1ccncc1Cl ZINC000215710750 382780088 /nfs/dbraw/zinc/78/00/88/382780088.db2.gz UERIIWNTOYBCTR-UHFFFAOYSA-N 1 1 278.787 2.749 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1ccncc1Cl ZINC000215710750 382780089 /nfs/dbraw/zinc/78/00/89/382780089.db2.gz UERIIWNTOYBCTR-UHFFFAOYSA-N 1 1 278.787 2.749 50 0 CFAAMO CCCn1ccnc1C[N@@H+](CC)CC1CCOCC1 ZINC000215748492 382780263 /nfs/dbraw/zinc/78/02/63/382780263.db2.gz YRPLSKRXMALUOV-UHFFFAOYSA-N 1 1 265.401 2.542 50 0 CFAAMO Cn1ccnc1CCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000215710827 382780458 /nfs/dbraw/zinc/78/04/58/382780458.db2.gz NWDHTWOUPGXXBK-UXBLZVDNSA-N 1 1 269.392 2.998 50 0 CFAAMO C[N@H+](Cc1cccc(Cn2cccn2)c1)C[C@H]1CCCCO1 ZINC000215837990 382780670 /nfs/dbraw/zinc/78/06/70/382780670.db2.gz AUNWCZOBLPYJPI-GOSISDBHSA-N 1 1 299.418 2.932 50 0 CFAAMO CCn1ncnc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000215854145 382780909 /nfs/dbraw/zinc/78/09/09/382780909.db2.gz CLEFOKYJKYLFCZ-INIZCTEOSA-N 1 1 299.422 2.680 50 0 CFAAMO CCn1ncnc1C[N@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000215854145 382780910 /nfs/dbraw/zinc/78/09/10/382780910.db2.gz CLEFOKYJKYLFCZ-INIZCTEOSA-N 1 1 299.422 2.680 50 0 CFAAMO CSCCC[NH+]1CC(Oc2cccc(C)c2)C1 ZINC000216229529 382782678 /nfs/dbraw/zinc/78/26/78/382782678.db2.gz RTARAMUZESVHIH-UHFFFAOYSA-N 1 1 251.395 2.811 50 0 CFAAMO Cc1cc(C)nc(CN(C)Cc2ccc(CC[NH3+])cc2)c1 ZINC000216362258 382783031 /nfs/dbraw/zinc/78/30/31/382783031.db2.gz IQMAEXIICVMZKG-UHFFFAOYSA-N 1 1 283.419 2.832 50 0 CFAAMO Cn1cc(CC[N@@H+](C)C/C=C/c2ccc(F)cc2)cn1 ZINC000216415915 382783788 /nfs/dbraw/zinc/78/37/88/382783788.db2.gz PWSYHDUPBCJDGA-ONEGZZNKSA-N 1 1 273.355 2.747 50 0 CFAAMO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225456298 382816266 /nfs/dbraw/zinc/81/62/66/382816266.db2.gz LGJQDWVCDKNJSW-LLVKDONJSA-N 1 1 290.338 2.618 50 0 CFAAMO Cc1[nH+]ccn1Cc1ccc(NCc2ncc[nH]2)cc1 ZINC000225491702 382817065 /nfs/dbraw/zinc/81/70/65/382817065.db2.gz KRKSJHRXNORNBY-UHFFFAOYSA-N 1 1 267.336 2.575 50 0 CFAAMO CC(C)[C@@H]([NH2+]Cc1nnnn1C(C)C)c1ccccc1 ZINC000225526040 382817750 /nfs/dbraw/zinc/81/77/50/382817750.db2.gz IDUOEPJPDYLBOG-OAHLLOKOSA-N 1 1 273.384 2.741 50 0 CFAAMO O=C(NCCn1cc[nH+]c1C1CC1)c1cc2ccccc2o1 ZINC000225566648 382818443 /nfs/dbraw/zinc/81/84/43/382818443.db2.gz MUCSWYVRDLVSME-UHFFFAOYSA-N 1 1 295.342 2.937 50 0 CFAAMO O=C(C1CC1)[C@@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000225772456 382821394 /nfs/dbraw/zinc/82/13/94/382821394.db2.gz MYCXXWWPGMMQEH-HNNXBMFYSA-N 1 1 265.397 2.637 50 0 CFAAMO O=C(C1CC1)[C@@H]1C[N@@H+](CCC2CCCCC2)CCO1 ZINC000225772456 382821395 /nfs/dbraw/zinc/82/13/95/382821395.db2.gz MYCXXWWPGMMQEH-HNNXBMFYSA-N 1 1 265.397 2.637 50 0 CFAAMO Cc1ccnc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000227115191 382833947 /nfs/dbraw/zinc/83/39/47/382833947.db2.gz JQWKXKGWVNWQGV-CVEARBPZSA-N 1 1 295.386 2.674 50 0 CFAAMO Cn1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000230102011 382855593 /nfs/dbraw/zinc/85/55/93/382855593.db2.gz GMZNYPJBRUTMIJ-KBAYOESNSA-N 1 1 296.418 2.743 50 0 CFAAMO O=C(CC[N@H+]1CC[C@H]2OCCC[C@H]2C1)c1ccc(F)cc1 ZINC000242106205 382984622 /nfs/dbraw/zinc/98/46/22/382984622.db2.gz WHVVKDCXCLTFGU-WMLDXEAASA-N 1 1 291.366 2.899 50 0 CFAAMO C[N@@H+](CCCc1cccnc1)CC[C@@H]1CCCCO1 ZINC000244691793 382989577 /nfs/dbraw/zinc/98/95/77/382989577.db2.gz JJLTYPPWJFOJGC-INIZCTEOSA-N 1 1 262.397 2.905 50 0 CFAAMO CCc1cc(CN(C)CC[N@@H+](C)C2CCCC2)on1 ZINC000244723481 382991475 /nfs/dbraw/zinc/99/14/75/382991475.db2.gz MCLKNYLLHJDJCW-UHFFFAOYSA-N 1 1 265.401 2.543 50 0 CFAAMO CCS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000245289560 382997079 /nfs/dbraw/zinc/99/70/79/382997079.db2.gz CQWJGGKLELRFRO-WFASDCNBSA-N 1 1 299.411 2.643 50 0 CFAAMO CCS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000245289560 382997083 /nfs/dbraw/zinc/99/70/83/382997083.db2.gz CQWJGGKLELRFRO-WFASDCNBSA-N 1 1 299.411 2.643 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1C ZINC000245338749 382997443 /nfs/dbraw/zinc/99/74/43/382997443.db2.gz OHTOEJUPYIGBJZ-RWMBFGLXSA-N 1 1 295.379 2.528 50 0 CFAAMO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000245333864 382997549 /nfs/dbraw/zinc/99/75/49/382997549.db2.gz BJXUGKXVPDLLME-HIFRSBDPSA-N 1 1 286.375 2.501 50 0 CFAAMO C[N@@H+](C[C@H]1CCCCO1)[C@H](CCO)c1ccccc1 ZINC000245289934 382997821 /nfs/dbraw/zinc/99/78/21/382997821.db2.gz GFANMBXRTJCASX-HZPDHXFCSA-N 1 1 263.381 2.611 50 0 CFAAMO C[N@H+](Cc1cccc(F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248144879 383214429 /nfs/dbraw/zinc/21/44/29/383214429.db2.gz VLILDLFRWPNGNZ-HUUCEWRRSA-N 1 1 299.411 2.613 50 0 CFAAMO C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248144879 383214433 /nfs/dbraw/zinc/21/44/33/383214433.db2.gz VLILDLFRWPNGNZ-HUUCEWRRSA-N 1 1 299.411 2.613 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1csc(C)n1 ZINC000248035817 383207451 /nfs/dbraw/zinc/20/74/51/383207451.db2.gz NFJSSGZFRBMIKB-UONOGXRCSA-N 1 1 293.436 2.540 50 0 CFAAMO Cc1n[nH]cc1CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248043958 383209721 /nfs/dbraw/zinc/20/97/21/383209721.db2.gz UMFCHFGVXDEKTJ-RHSMWYFYSA-N 1 1 284.407 2.643 50 0 CFAAMO Cc1n[nH]cc1CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248043958 383209723 /nfs/dbraw/zinc/20/97/23/383209723.db2.gz UMFCHFGVXDEKTJ-RHSMWYFYSA-N 1 1 284.407 2.643 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC=CC1 ZINC000248859614 383299421 /nfs/dbraw/zinc/29/94/21/383299421.db2.gz PPQZYQWXXYHCCV-WMLDXEAASA-N 1 1 284.403 2.589 50 0 CFAAMO O=C(C1CCC1)N1CCC[N@@H+](CCCc2ccco2)CC1 ZINC000252506609 383415298 /nfs/dbraw/zinc/41/52/98/383415298.db2.gz WBNYQCPOIBYALK-UHFFFAOYSA-N 1 1 290.407 2.547 50 0 CFAAMO CCC1=NO[C@@H](C[N@H+](C)Cc2cnc3ccccc3n2)C1 ZINC000252504230 383415577 /nfs/dbraw/zinc/41/55/77/383415577.db2.gz VIOCGSQJTAPKKS-CQSZACIVSA-N 1 1 284.363 2.617 50 0 CFAAMO CCC1=NO[C@@H](C[N@@H+](C)Cc2cnc3ccccc3n2)C1 ZINC000252504230 383415580 /nfs/dbraw/zinc/41/55/80/383415580.db2.gz VIOCGSQJTAPKKS-CQSZACIVSA-N 1 1 284.363 2.617 50 0 CFAAMO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000525195304 383397751 /nfs/dbraw/zinc/39/77/51/383397751.db2.gz DRTRVQAQJYKPNM-NSHDSACASA-N 1 1 261.369 2.856 50 0 CFAAMO Cc1noc(C)c1C[N@H+](C)C/C=C/c1ccncc1 ZINC000252481469 383411384 /nfs/dbraw/zinc/41/13/84/383411384.db2.gz CMSRBXRPMGDCJP-SNAWJCMRSA-N 1 1 257.337 2.832 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C/C=C/c1ccncc1 ZINC000252481469 383411390 /nfs/dbraw/zinc/41/13/90/383411390.db2.gz CMSRBXRPMGDCJP-SNAWJCMRSA-N 1 1 257.337 2.832 50 0 CFAAMO C[N@@H+](CCc1cn[nH]c1)[C@H]1CCCc2ccccc21 ZINC000252483744 383411554 /nfs/dbraw/zinc/41/15/54/383411554.db2.gz FHROJGRIZUQSAT-INIZCTEOSA-N 1 1 255.365 2.962 50 0 CFAAMO Cc1cnccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000252488700 383412651 /nfs/dbraw/zinc/41/26/51/383412651.db2.gz IXEPGOFCXJCEFP-UHFFFAOYSA-N 1 1 260.381 2.783 50 0 CFAAMO CSCc1noc(C[N@H+](C)C2Cc3ccccc3C2)n1 ZINC000252488408 383413047 /nfs/dbraw/zinc/41/30/47/383413047.db2.gz IRILRDNEDVMCLH-UHFFFAOYSA-N 1 1 289.404 2.532 50 0 CFAAMO CSCc1noc(C[N@@H+](C)C2Cc3ccccc3C2)n1 ZINC000252488408 383413050 /nfs/dbraw/zinc/41/30/50/383413050.db2.gz IRILRDNEDVMCLH-UHFFFAOYSA-N 1 1 289.404 2.532 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000249690734 383355884 /nfs/dbraw/zinc/35/58/84/383355884.db2.gz KQYKDJGMALWGDI-HZPDHXFCSA-N 1 1 290.382 2.915 50 0 CFAAMO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000253370467 383453275 /nfs/dbraw/zinc/45/32/75/383453275.db2.gz RGFQUUVMZGPWSO-KONPQCLYSA-N 1 1 294.483 2.902 50 0 CFAAMO CCn1nccc1CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000253420882 383458080 /nfs/dbraw/zinc/45/80/80/383458080.db2.gz NGOZKEABIFDXFE-MAUKXSAKSA-N 1 1 299.418 2.908 50 0 CFAAMO FC(F)COCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000253421321 383458518 /nfs/dbraw/zinc/45/85/18/383458518.db2.gz UPVUHFPLUSJKJA-ZDUSSCGKSA-N 1 1 295.333 2.565 50 0 CFAAMO Cc1ccc2cc(CN3CC[N@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253531351 383461997 /nfs/dbraw/zinc/46/19/97/383461997.db2.gz CMZAGXZMLQCMAZ-INIZCTEOSA-N 1 1 297.402 2.529 50 0 CFAAMO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000252512798 383417277 /nfs/dbraw/zinc/41/72/77/383417277.db2.gz VUBIDVFFVQAHLR-HZPDHXFCSA-N 1 1 295.448 2.701 50 0 CFAAMO Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000252536844 383418207 /nfs/dbraw/zinc/41/82/07/383418207.db2.gz JRAKQEOYQIUSKM-JKSUJKDBSA-N 1 1 295.386 2.674 50 0 CFAAMO CO[C@@H](C[N@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000252572432 383419659 /nfs/dbraw/zinc/41/96/59/383419659.db2.gz ZHZBSMOHGWAUKG-MSOLQXFVSA-N 1 1 298.386 2.922 50 0 CFAAMO Cc1cccc(C[N@H+]2CCCCCCNC(=O)CC2)c1 ZINC000257182467 383490785 /nfs/dbraw/zinc/49/07/85/383490785.db2.gz PIIWHGNCHJHYBQ-UHFFFAOYSA-N 1 1 274.408 2.877 50 0 CFAAMO Cc1ccc(C[N@H+]2CCCCCCNC(=O)CC2)s1 ZINC000257181117 383490939 /nfs/dbraw/zinc/49/09/39/383490939.db2.gz MKOLNZBXZRWIIB-UHFFFAOYSA-N 1 1 280.437 2.939 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)C(C)C)C2)n1C(C)C ZINC000257185975 383492480 /nfs/dbraw/zinc/49/24/80/383492480.db2.gz YCHZVGMRMRLYIK-AWEZNQCLSA-N 1 1 277.412 2.819 50 0 CFAAMO OC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccco1 ZINC000225409068 285287944 /nfs/dbraw/zinc/28/79/44/285287944.db2.gz PTENHXUVFIIBLG-KGLIPLIRSA-N 1 1 273.332 2.686 50 0 CFAAMO Nc1cccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000003066394 393455089 /nfs/dbraw/zinc/45/50/89/393455089.db2.gz QMUPZBBJTKGJIF-HOCLYGCPSA-N 1 1 288.391 2.690 50 0 CFAAMO CC(C)c1cccc(OCCCC[NH+]2CCNCC2)c1 ZINC000020272297 393485566 /nfs/dbraw/zinc/48/55/66/393485566.db2.gz XGBRLHLCUDFXIA-UHFFFAOYSA-N 1 1 276.424 2.874 50 0 CFAAMO C[N@@H+]1CCN(C(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000030029003 393505483 /nfs/dbraw/zinc/50/54/83/393505483.db2.gz HTAYPYIYOLQCPR-KRWDZBQOSA-N 1 1 280.371 2.816 50 0 CFAAMO C[N@H+]1CCN(C(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000030029003 393505488 /nfs/dbraw/zinc/50/54/88/393505488.db2.gz HTAYPYIYOLQCPR-KRWDZBQOSA-N 1 1 280.371 2.816 50 0 CFAAMO Brc1ccc(CN2CCC[N@H+](C3CC3)CC2)o1 ZINC000191288918 393592339 /nfs/dbraw/zinc/59/23/39/393592339.db2.gz JQZWAZMOAXNRSP-UHFFFAOYSA-N 1 1 299.212 2.712 50 0 CFAAMO Cc1cccc([C@H](C(=O)N(C)Cc2ccco2)[NH+](C)C)c1 ZINC000065535093 393630918 /nfs/dbraw/zinc/63/09/18/393630918.db2.gz GKZCXSWXSUYYGT-MRXNPFEDSA-N 1 1 286.375 2.849 50 0 CFAAMO Cc1ccc([C@H]2CCCCC[N@@H+]2CCCS(C)(=O)=O)o1 ZINC000096415002 393826112 /nfs/dbraw/zinc/82/61/12/393826112.db2.gz RTDVKHLDJMBIHJ-CQSZACIVSA-N 1 1 299.436 2.940 50 0 CFAAMO Cc1ccc([C@H]2CCCCC[N@H+]2CCCS(C)(=O)=O)o1 ZINC000096415002 393826117 /nfs/dbraw/zinc/82/61/17/393826117.db2.gz RTDVKHLDJMBIHJ-CQSZACIVSA-N 1 1 299.436 2.940 50 0 CFAAMO Cc1cccc(NC2CC[NH+]([C@H]3C[C@H](C)OC3=O)CC2)c1 ZINC000096421214 393828373 /nfs/dbraw/zinc/82/83/73/393828373.db2.gz FYKLYBZWWIUIEZ-BBRMVZONSA-N 1 1 288.391 2.575 50 0 CFAAMO CCNC(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000096424740 393829898 /nfs/dbraw/zinc/82/98/98/393829898.db2.gz QAERMYSONBOZPX-UHFFFAOYSA-N 1 1 264.369 2.550 50 0 CFAAMO CCn1cnnc1C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426551790 393888906 /nfs/dbraw/zinc/88/89/06/393888906.db2.gz KVDMVHJXDBFUST-HNNXBMFYSA-N 1 1 284.407 2.924 50 0 CFAAMO CC(=O)N1CC[N@@H+](C[C@@H]2CCC=CO2)CC12CCCCC2 ZINC000253429301 393941734 /nfs/dbraw/zinc/94/17/34/393941734.db2.gz SRJJCNJPEHQKRJ-INIZCTEOSA-N 1 1 292.423 2.546 50 0 CFAAMO CCS[C@H]1CCCC[N@@H+](CC2(C(=O)OC)CC2)C1 ZINC000253425572 393941796 /nfs/dbraw/zinc/94/17/96/393941796.db2.gz UWBCDKYINAWJCZ-LBPRGKRZSA-N 1 1 271.426 2.547 50 0 CFAAMO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000134525618 394199361 /nfs/dbraw/zinc/19/93/61/394199361.db2.gz HDLYDXGDQCFDCQ-ZDUSSCGKSA-N 1 1 272.396 2.527 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000007811351 397536828 /nfs/dbraw/zinc/53/68/28/397536828.db2.gz YMKMCEKJXFQGRF-STQMWFEESA-N 1 1 288.391 2.806 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000007811350 397537209 /nfs/dbraw/zinc/53/72/09/397537209.db2.gz YMKMCEKJXFQGRF-BETUJISGSA-N 1 1 288.391 2.806 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000007811350 397537214 /nfs/dbraw/zinc/53/72/14/397537214.db2.gz YMKMCEKJXFQGRF-BETUJISGSA-N 1 1 288.391 2.806 50 0 CFAAMO OCC[N@H+](Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000048347566 397589110 /nfs/dbraw/zinc/58/91/10/397589110.db2.gz UZZUGTJVGHXWAR-UHFFFAOYSA-N 1 1 280.418 2.828 50 0 CFAAMO OCC[N@@H+](Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000048347566 397589111 /nfs/dbraw/zinc/58/91/11/397589111.db2.gz UZZUGTJVGHXWAR-UHFFFAOYSA-N 1 1 280.418 2.828 50 0 CFAAMO CC(C)(C)CN1CC[N@@H+](CC2CCCCC2)C[C@H]1CCO ZINC000104363382 397596233 /nfs/dbraw/zinc/59/62/33/397596233.db2.gz VISXZZQCSWXEJY-QGZVFWFLSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@@H+]1CCN(CC2CCCCC2)C[C@H]1CCO ZINC000104363382 397596234 /nfs/dbraw/zinc/59/62/34/397596234.db2.gz VISXZZQCSWXEJY-QGZVFWFLSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@H+]1CCN(CC2CCCCC2)C[C@H]1CCO ZINC000104363382 397596235 /nfs/dbraw/zinc/59/62/35/397596235.db2.gz VISXZZQCSWXEJY-QGZVFWFLSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)CN1CC[N@@H+](CC2CCCCC2)C[C@H]1CCO ZINC000104392509 397596255 /nfs/dbraw/zinc/59/62/55/397596255.db2.gz IHDOETOXKDVUDD-QGZVFWFLSA-N 1 1 282.472 2.591 50 0 CFAAMO CC(C)C[N@@H+]1CCN(CC2CCCCC2)C[C@H]1CCO ZINC000104392509 397596257 /nfs/dbraw/zinc/59/62/57/397596257.db2.gz IHDOETOXKDVUDD-QGZVFWFLSA-N 1 1 282.472 2.591 50 0 CFAAMO CC(C)C[N@H+]1CCN(CC2CCCCC2)C[C@H]1CCO ZINC000104392509 397596258 /nfs/dbraw/zinc/59/62/58/397596258.db2.gz IHDOETOXKDVUDD-QGZVFWFLSA-N 1 1 282.472 2.591 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@@H]1CCC[C@H]1SC ZINC000108490099 397598408 /nfs/dbraw/zinc/59/84/08/397598408.db2.gz DLQIWNAQSVXMJU-ZIAGYGMSSA-N 1 1 267.442 2.698 50 0 CFAAMO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C2 ZINC000252484971 397628379 /nfs/dbraw/zinc/62/83/79/397628379.db2.gz GLEXABWZYBLZRX-CQSZACIVSA-N 1 1 274.408 2.514 50 0 CFAAMO Cc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)NCC(C)C)C2 ZINC000252484971 397628383 /nfs/dbraw/zinc/62/83/83/397628383.db2.gz GLEXABWZYBLZRX-CQSZACIVSA-N 1 1 274.408 2.514 50 0 CFAAMO Cc1ccccc1C(=O)N1CCC[N@H+](C2CCC2)CC1 ZINC000825235592 782006482 /nfs/dbraw/zinc/00/64/82/782006482.db2.gz JMZGJZDXGAYOTD-UHFFFAOYSA-N 1 1 272.392 2.695 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367065713 156275769 /nfs/dbraw/zinc/27/57/69/156275769.db2.gz GUAIUFODLJBACO-QGZVFWFLSA-N 1 1 275.392 2.876 50 0 CFAAMO CCSCC[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374843510 157164508 /nfs/dbraw/zinc/16/45/08/157164508.db2.gz IONXCHQXMJDKIR-UHFFFAOYSA-N 1 1 267.394 2.643 50 0 CFAAMO NC(=O)[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000352813091 163240385 /nfs/dbraw/zinc/24/03/85/163240385.db2.gz JJZTYQJRZWXRTM-INIZCTEOSA-N 1 1 280.327 2.749 50 0 CFAAMO Cc1ccccc1OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000004867320 170033681 /nfs/dbraw/zinc/03/36/81/170033681.db2.gz NPFMVLLMEBJEBL-OWCLPIDISA-N 1 1 277.408 2.998 50 0 CFAAMO CC(=O)c1cccc(OCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000004870260 170034856 /nfs/dbraw/zinc/03/48/56/170034856.db2.gz BHCSJGUKEOAZQM-ZDUSSCGKSA-N 1 1 261.365 3.000 50 0 CFAAMO CC[NH+]1CCN(C(=S)c2ccc(SC)cc2)CC1 ZINC000005059414 170062207 /nfs/dbraw/zinc/06/22/07/170062207.db2.gz BCQWGJAIXZYIBP-UHFFFAOYSA-N 1 1 280.462 2.722 50 0 CFAAMO COc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000005674903 170126636 /nfs/dbraw/zinc/12/66/36/170126636.db2.gz KFRQZJPGDZKWDM-HNNXBMFYSA-N 1 1 293.407 2.699 50 0 CFAAMO C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000005674911 170126974 /nfs/dbraw/zinc/12/69/74/170126974.db2.gz YUKPBDFINAGLRT-OAHLLOKOSA-N 1 1 281.371 2.830 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000006730658 170235242 /nfs/dbraw/zinc/23/52/42/170235242.db2.gz ZSOHJHUUQOSOQJ-GFCCVEGCSA-N 1 1 260.381 2.974 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2C)no1 ZINC000007920649 170308266 /nfs/dbraw/zinc/30/82/66/170308266.db2.gz UCCAVHQFBWEGBG-UHFFFAOYSA-N 1 1 287.363 2.670 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2C)no1 ZINC000007920649 170308268 /nfs/dbraw/zinc/30/82/68/170308268.db2.gz UCCAVHQFBWEGBG-UHFFFAOYSA-N 1 1 287.363 2.670 50 0 CFAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)NCc1ccccc1 ZINC000008267554 170327884 /nfs/dbraw/zinc/32/78/84/170327884.db2.gz BYKVMQDUMHOPGC-DLBZAZTESA-N 1 1 286.419 2.815 50 0 CFAAMO Cc1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000008728558 170350262 /nfs/dbraw/zinc/35/02/62/170350262.db2.gz HTBHNRSIRYFFJF-UHFFFAOYSA-N 1 1 282.387 2.873 50 0 CFAAMO Cc1cccc(NC(=O)C[N@H+](C)CCc2ccncc2)c1C ZINC000009367876 170374505 /nfs/dbraw/zinc/37/45/05/170374505.db2.gz KAPGQSGMZDFMQM-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCc2ccncc2)c1C ZINC000009367876 170374507 /nfs/dbraw/zinc/37/45/07/170374507.db2.gz KAPGQSGMZDFMQM-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2F)C1 ZINC000009484011 170378718 /nfs/dbraw/zinc/37/87/18/170378718.db2.gz OPRMELGUAVVXLN-VXGBXAGGSA-N 1 1 264.344 2.742 50 0 CFAAMO CC[NH+]1CCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000019527875 170825977 /nfs/dbraw/zinc/82/59/77/170825977.db2.gz OEWICQXKJGEMPB-UHFFFAOYSA-N 1 1 282.387 2.546 50 0 CFAAMO COc1ccc(C[NH2+][C@H](C)c2ccccn2)c(OC)c1 ZINC000020123200 171004258 /nfs/dbraw/zinc/00/42/58/171004258.db2.gz WMJGKOGCFPSZCX-GFCCVEGCSA-N 1 1 272.348 2.950 50 0 CFAAMO OCC[C@H]1C[N@@H+](CC2CCCCC2)CCN1C1CCCC1 ZINC000020419344 171183845 /nfs/dbraw/zinc/18/38/45/171183845.db2.gz CHTBCENFLGVKFC-SFHVURJKSA-N 1 1 294.483 2.878 50 0 CFAAMO OCC[C@H]1CN(CC2CCCCC2)CC[N@@H+]1C1CCCC1 ZINC000020419344 171183849 /nfs/dbraw/zinc/18/38/49/171183849.db2.gz CHTBCENFLGVKFC-SFHVURJKSA-N 1 1 294.483 2.878 50 0 CFAAMO OCC[C@H]1CN(CC2CCCCC2)CC[N@H+]1C1CCCC1 ZINC000020419344 171183854 /nfs/dbraw/zinc/18/38/54/171183854.db2.gz CHTBCENFLGVKFC-SFHVURJKSA-N 1 1 294.483 2.878 50 0 CFAAMO COc1c(Cl)cc(CNCC[NH+](C)C)cc1Cl ZINC000020967740 171282110 /nfs/dbraw/zinc/28/21/10/171282110.db2.gz GEXLSFLCPYODAX-UHFFFAOYSA-N 1 1 277.195 2.653 50 0 CFAAMO CN(C)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000022454769 171388139 /nfs/dbraw/zinc/38/81/39/171388139.db2.gz FFGFFVNLYFYCMV-UHFFFAOYSA-N 1 1 260.303 2.699 50 0 CFAAMO CN(C)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000022454769 171388140 /nfs/dbraw/zinc/38/81/40/171388140.db2.gz FFGFFVNLYFYCMV-UHFFFAOYSA-N 1 1 260.303 2.699 50 0 CFAAMO CC(C)(C)[N@H+]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000664174987 413619399 /nfs/dbraw/zinc/61/93/99/413619399.db2.gz NFOUVOOUSMTZRF-GFCCVEGCSA-N 1 1 270.380 2.915 50 0 CFAAMO COc1ccc([C@@H](C)NC2CC[NH+](C)CC2)cc1F ZINC000037249277 173062230 /nfs/dbraw/zinc/06/22/30/173062230.db2.gz VLZAOIFFQXZWSV-LLVKDONJSA-N 1 1 266.360 2.579 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)Nc1cccs1)c1ccco1 ZINC000038630149 174150180 /nfs/dbraw/zinc/15/01/80/174150180.db2.gz NRTUHNBTLLTUKW-JTQLQIEISA-N 1 1 279.365 2.766 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 ZINC000039978494 174180932 /nfs/dbraw/zinc/18/09/32/174180932.db2.gz QEYXVFNNNPSLJM-KRWDZBQOSA-N 1 1 298.430 2.996 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCC(C)C)ccn1 ZINC000040535028 174319921 /nfs/dbraw/zinc/31/99/21/174319921.db2.gz QMCJSGQMPJBMLN-UHFFFAOYSA-N 1 1 286.379 2.628 50 0 CFAAMO CC[C@H]1C[N@@H+](CCCF)CCC(=O)N1Cc1ccccc1 ZINC000071422181 176160776 /nfs/dbraw/zinc/16/07/76/176160776.db2.gz YSAZQINNDOBOOA-INIZCTEOSA-N 1 1 292.398 2.859 50 0 CFAAMO CC[C@@H]1C[N@@H+](CCCF)CCC(=O)N1Cc1ccccc1 ZINC000071422180 176160862 /nfs/dbraw/zinc/16/08/62/176160862.db2.gz YSAZQINNDOBOOA-MRXNPFEDSA-N 1 1 292.398 2.859 50 0 CFAAMO CCCc1nnc2sc([C@H]3CCC[N@H+](C(C)C)C3)nn12 ZINC000071681679 176245617 /nfs/dbraw/zinc/24/56/17/176245617.db2.gz KFHXHBJHRPBFOK-NSHDSACASA-N 1 1 293.440 2.726 50 0 CFAAMO C[N@H+]1CCC[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000071820722 176270622 /nfs/dbraw/zinc/27/06/22/176270622.db2.gz BYTGHAZGBMLKOI-AWEZNQCLSA-N 1 1 292.810 2.582 50 0 CFAAMO Cc1n[nH]cc1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071837278 176273971 /nfs/dbraw/zinc/27/39/71/176273971.db2.gz JBJJOJRXCUJMCH-KRWDZBQOSA-N 1 1 298.434 2.720 50 0 CFAAMO NC(=O)CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000071860666 176280098 /nfs/dbraw/zinc/28/00/98/176280098.db2.gz QYHPFGCLFCSRRE-MRXNPFEDSA-N 1 1 286.400 2.571 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000071870675 176283654 /nfs/dbraw/zinc/28/36/54/176283654.db2.gz LZQXRKHHTMLOSF-CYBMUJFWSA-N 1 1 289.404 2.984 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000071870680 176284047 /nfs/dbraw/zinc/28/40/47/176284047.db2.gz NDBJHNNNPMEPGL-CABCVRRESA-N 1 1 287.407 2.965 50 0 CFAAMO Cc1cc(C)n(C2C[NH+](CCc3cccs3)C2)n1 ZINC000071880655 176287804 /nfs/dbraw/zinc/28/78/04/176287804.db2.gz RMZQBSLDNYCIKU-UHFFFAOYSA-N 1 1 261.394 2.661 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000071913956 176298788 /nfs/dbraw/zinc/29/87/88/176298788.db2.gz XQDKPUIIDNGSCQ-DZGCQCFKSA-N 1 1 274.364 2.744 50 0 CFAAMO O=c1[nH]c2ccccc2cc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071939942 176303326 /nfs/dbraw/zinc/30/33/26/176303326.db2.gz WRHVLAHSOUXIHZ-CYBMUJFWSA-N 1 1 297.402 2.514 50 0 CFAAMO O=c1[nH]c2ccccc2cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000071939942 176303327 /nfs/dbraw/zinc/30/33/27/176303327.db2.gz WRHVLAHSOUXIHZ-CYBMUJFWSA-N 1 1 297.402 2.514 50 0 CFAAMO CNc1nc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cs1 ZINC000072133231 176321957 /nfs/dbraw/zinc/32/19/57/176321957.db2.gz GODJFCHMDPFNMV-NIFPGPBJSA-N 1 1 263.410 2.663 50 0 CFAAMO c1cncc(CO[C@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000072161167 176329934 /nfs/dbraw/zinc/32/99/34/176329934.db2.gz JXTHPTPDQBJBNJ-KRWDZBQOSA-N 1 1 283.375 2.658 50 0 CFAAMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1SC ZINC000072292578 176362479 /nfs/dbraw/zinc/36/24/79/176362479.db2.gz VLKCJYCPBONUFI-CYBMUJFWSA-N 1 1 281.421 2.621 50 0 CFAAMO CC(C)=CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076396630 177015189 /nfs/dbraw/zinc/01/51/89/177015189.db2.gz YOZXEARZQWDTIV-CQSZACIVSA-N 1 1 270.380 2.875 50 0 CFAAMO CC(C)c1nc([C@@H](C)NC(=O)C[N@@H+](C)C2CC2)cs1 ZINC000077614985 177287455 /nfs/dbraw/zinc/28/74/55/177287455.db2.gz NWJMYWIBWSYZLX-SNVBAGLBSA-N 1 1 281.425 2.538 50 0 CFAAMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000078876608 177399631 /nfs/dbraw/zinc/39/96/31/177399631.db2.gz NIEGGARWBGFQNQ-CQSZACIVSA-N 1 1 287.359 2.799 50 0 CFAAMO C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@@H]1n1ccnc1 ZINC000095981732 265321499 /nfs/dbraw/zinc/32/14/99/265321499.db2.gz KXUQRNXNKQXREX-ZBFHGGJFSA-N 1 1 295.390 2.614 50 0 CFAAMO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000032611228 274289050 /nfs/dbraw/zinc/28/90/50/274289050.db2.gz IBIODXRBIPGNBP-WBVHZDCISA-N 1 1 286.419 2.910 50 0 CFAAMO Cc1cc(N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)nc(C)[nH+]1 ZINC000301423936 274719553 /nfs/dbraw/zinc/71/95/53/274719553.db2.gz DAHPUFCBMLVGNU-IUODEOHRSA-N 1 1 296.374 2.699 50 0 CFAAMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000064995395 276236667 /nfs/dbraw/zinc/23/66/67/276236667.db2.gz LFJKGOXLRFGBGR-OAGGEKHMSA-N 1 1 296.455 2.572 50 0 CFAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000244716055 277045453 /nfs/dbraw/zinc/04/54/53/277045453.db2.gz LHPHVSXULJAEBM-HOTGVXAUSA-N 1 1 272.392 2.834 50 0 CFAAMO CC(C)CC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC000095415854 277361240 /nfs/dbraw/zinc/36/12/40/277361240.db2.gz FAJJQVFUSRMVIA-AWEZNQCLSA-N 1 1 250.390 2.569 50 0 CFAAMO COc1ccc(Cl)c2sc(N3CC[NH+](C)CC3)nc21 ZINC000012230087 277903522 /nfs/dbraw/zinc/90/35/22/277903522.db2.gz CZDZAAVKIIPFNO-UHFFFAOYSA-N 1 1 297.811 2.710 50 0 CFAAMO CC(C)(C)C[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000253473439 278325173 /nfs/dbraw/zinc/32/51/73/278325173.db2.gz UWWNZJSHCBSUOQ-AWEZNQCLSA-N 1 1 281.421 2.581 50 0 CFAAMO CC(C)(C)C[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000253473439 278325174 /nfs/dbraw/zinc/32/51/74/278325174.db2.gz UWWNZJSHCBSUOQ-AWEZNQCLSA-N 1 1 281.421 2.581 50 0 CFAAMO C[C@H](C[S@](C)=O)[N@@H+](C)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188423323 279375330 /nfs/dbraw/zinc/37/53/30/279375330.db2.gz QQBHOFARDQATET-CKPCYDFHSA-N 1 1 285.375 2.806 50 0 CFAAMO CC[C@H]1C[N@@H+](C)CC[C@@]1(OC(C)=O)c1ccccc1 ZINC000013152609 288280469 /nfs/dbraw/zinc/28/04/69/288280469.db2.gz LOWQPSFXEWFNSB-HOCLYGCPSA-N 1 1 261.365 2.807 50 0 CFAAMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nc1 ZINC000239761757 288298899 /nfs/dbraw/zinc/29/88/99/288298899.db2.gz CKKCVODFYGOXNA-OCCSQVGLSA-N 1 1 279.815 2.794 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C)C ZINC000008553271 281128389 /nfs/dbraw/zinc/12/83/89/281128389.db2.gz LSKOBBMGJQZPPY-GDBMZVCRSA-N 1 1 272.392 2.785 50 0 CFAAMO Clc1c[nH+]ccc1N1CCCN(c2nccs2)CC1 ZINC000089884899 294122619 /nfs/dbraw/zinc/12/26/19/294122619.db2.gz RXVPSNMUPJSUCE-UHFFFAOYSA-N 1 1 294.811 2.908 50 0 CFAAMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000006996374 301227694 /nfs/dbraw/zinc/22/76/94/301227694.db2.gz CKDSLRYVWLKERY-JKSUJKDBSA-N 1 1 277.408 2.918 50 0 CFAAMO Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)n1C(F)F ZINC000534578258 328310984 /nfs/dbraw/zinc/31/09/84/328310984.db2.gz OVZKWKIIOCTHNY-GFCCVEGCSA-N 1 1 299.365 2.653 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000071909226 327106384 /nfs/dbraw/zinc/10/63/84/327106384.db2.gz AZAUWAXXWRYFKV-UONOGXRCSA-N 1 1 251.395 2.547 50 0 CFAAMO CC(C)c1[nH+]ccn1Cc1ncn(-c2ccccc2)n1 ZINC000097053465 500632787 /nfs/dbraw/zinc/63/27/87/500632787.db2.gz DRMXUOJPKAQNFG-UHFFFAOYSA-N 1 1 267.336 2.636 50 0 CFAAMO Fc1ccccc1[C@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000096493068 534534399 /nfs/dbraw/zinc/53/43/99/534534399.db2.gz DNJRUQJCVABKGN-AWEZNQCLSA-N 1 1 273.355 2.902 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215101101 522843862 /nfs/dbraw/zinc/84/38/62/522843862.db2.gz DAWIFVYPMCZAIC-AWEZNQCLSA-N 1 1 289.423 2.993 50 0 CFAAMO CCCCCC(=O)Nc1ccccc1NC(=O)C[NH+](C)C ZINC000952981329 614899896 /nfs/dbraw/zinc/89/98/96/614899896.db2.gz HNNFUGAVOQLUSS-UHFFFAOYSA-N 1 1 291.395 2.706 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](Cc2[nH]c(CC)nc2C)C1 ZINC000952966706 614951846 /nfs/dbraw/zinc/95/18/46/614951846.db2.gz DRXIJCXIRJGILX-ZDUSSCGKSA-N 1 1 265.401 2.672 50 0 CFAAMO CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1F ZINC000952975878 615143727 /nfs/dbraw/zinc/14/37/27/615143727.db2.gz KHIXISRTKGVCJE-LBPRGKRZSA-N 1 1 284.762 2.580 50 0 CFAAMO CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000023281671 618358312 /nfs/dbraw/zinc/35/83/12/618358312.db2.gz HOQCKIUZQZMDSN-ZIAGYGMSSA-N 1 1 252.402 2.566 50 0 CFAAMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000888093307 619128553 /nfs/dbraw/zinc/12/85/53/619128553.db2.gz WDJVMZDOOZKGGN-SNVBAGLBSA-N 1 1 286.828 2.876 50 0 CFAAMO CCc1ccc(-c2noc([C@H]3C[N@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000874435604 624453089 /nfs/dbraw/zinc/45/30/89/624453089.db2.gz ZBOZJJQAESKKLQ-HUUCEWRRSA-N 1 1 299.374 2.835 50 0 CFAAMO Cc1ccc(-n2cccn2)c(C[NH2+]Cc2csc(N)n2)c1 ZINC000952966018 626113013 /nfs/dbraw/zinc/11/30/13/626113013.db2.gz DUWFRZAWVNPZPZ-UHFFFAOYSA-N 1 1 299.403 2.509 50 0 CFAAMO O=C(NC[C@@H]1CCC[N@H+](CCCC(F)(F)F)C1)C1CC1 ZINC000952967691 626114706 /nfs/dbraw/zinc/11/47/06/626114706.db2.gz CGBVNNHNRBAJFH-NSHDSACASA-N 1 1 292.345 2.567 50 0 CFAAMO COc1cccc(N2C(=O)C[N@@H+](CCC(C)C)C[C@H]2C)c1 ZINC000012034319 626228958 /nfs/dbraw/zinc/22/89/58/626228958.db2.gz VVBYAYRSNNKJFD-CQSZACIVSA-N 1 1 290.407 2.778 50 0 CFAAMO COc1cccc(N2C(=O)C[N@H+](CCC(C)C)C[C@H]2C)c1 ZINC000012034319 626228963 /nfs/dbraw/zinc/22/89/63/626228963.db2.gz VVBYAYRSNNKJFD-CQSZACIVSA-N 1 1 290.407 2.778 50 0 CFAAMO Cc1n[nH]c(CN(C)CC[N@@H+](C)C2CCCC2)c1Cl ZINC000952965647 650790167 /nfs/dbraw/zinc/79/01/67/650790167.db2.gz BBCUAWZNYVULIT-UHFFFAOYSA-N 1 1 284.835 2.678 50 0 CFAAMO Cc1[nH]nc(CN(C)CC[N@H+](C)C2CCCC2)c1Cl ZINC000952965647 650790170 /nfs/dbraw/zinc/79/01/70/650790170.db2.gz BBCUAWZNYVULIT-UHFFFAOYSA-N 1 1 284.835 2.678 50 0 CFAAMO Cc1[nH]nc(CN(C)CC[N@@H+](C)C2CCCC2)c1Cl ZINC000952965647 650790171 /nfs/dbraw/zinc/79/01/71/650790171.db2.gz BBCUAWZNYVULIT-UHFFFAOYSA-N 1 1 284.835 2.678 50 0 CFAAMO C[C@@H]1C[N@@H+](CCCC(=O)c2ccc(F)cc2)CC[C@]1(C)O ZINC000092078848 650914464 /nfs/dbraw/zinc/91/44/64/650914464.db2.gz OGHXGQJYHWIQKJ-DYVFJYSZSA-N 1 1 293.382 2.881 50 0 CFAAMO C/C=C/C=C\C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096102374 650985000 /nfs/dbraw/zinc/98/50/00/650985000.db2.gz NVTPWVDUBVPICO-IAROGAJJSA-N 1 1 291.782 2.516 50 0 CFAAMO Cc1noc(C)c1CC[N@@H+](C)Cc1[nH]nc2c1CCCC2 ZINC000019642508 651291643 /nfs/dbraw/zinc/29/16/43/651291643.db2.gz VTMYBPMXFKEUIM-UHFFFAOYSA-N 1 1 288.395 2.568 50 0 CFAAMO Cc1noc(C)c1CC[N@H+](C)Cc1[nH]nc2c1CCCC2 ZINC000019642508 651291647 /nfs/dbraw/zinc/29/16/47/651291647.db2.gz VTMYBPMXFKEUIM-UHFFFAOYSA-N 1 1 288.395 2.568 50 0 CFAAMO Cc1[nH]c(CNC(=O)c2cc(C)cc(C)c2)c(C)[nH+]1 ZINC000724672622 773240043 /nfs/dbraw/zinc/24/00/43/773240043.db2.gz GHNNTBFCYCSAHU-UHFFFAOYSA-N 1 1 257.337 2.573 50 0 CFAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)NCC)C1 ZINC000581816701 775474013 /nfs/dbraw/zinc/47/40/13/775474013.db2.gz KTVCBDVAEKNRAA-CQSZACIVSA-N 1 1 292.427 2.586 50 0 CFAAMO O=C1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)N1 ZINC000675016255 775983252 /nfs/dbraw/zinc/98/32/52/775983252.db2.gz BOEOVPGRPVBBET-AWEZNQCLSA-N 1 1 298.308 2.560 50 0 CFAAMO Cc1ccc2nc(C[N@H+](C)C3CCCCC3)cc(=O)n2c1 ZINC000007786390 230370167 /nfs/dbraw/zinc/37/01/67/230370167.db2.gz FLMFWTAUKCXNFI-UHFFFAOYSA-N 1 1 285.391 2.767 50 0 CFAAMO CCC[C@]1(CC(=O)N2CC[NH+](C)CC2)CCOC(C)(C)C1 ZINC000095477732 184997296 /nfs/dbraw/zinc/99/72/96/184997296.db2.gz JDZCKBBKANPXES-QGZVFWFLSA-N 1 1 296.455 2.526 50 0 CFAAMO OCCC[C@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000096466207 230378434 /nfs/dbraw/zinc/37/84/34/230378434.db2.gz DYMBXEMAEFXAOJ-GFCCVEGCSA-N 1 1 278.327 2.704 50 0 CFAAMO COc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c(C)c1C ZINC000097805579 230387424 /nfs/dbraw/zinc/38/74/24/230387424.db2.gz HWLQODOEPLGIAJ-QGZVFWFLSA-N 1 1 288.435 2.982 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c(C)c1C ZINC000097805579 230387425 /nfs/dbraw/zinc/38/74/25/230387425.db2.gz HWLQODOEPLGIAJ-QGZVFWFLSA-N 1 1 288.435 2.982 50 0 CFAAMO CSc1cccc(CN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000097819700 230387829 /nfs/dbraw/zinc/38/78/29/230387829.db2.gz TZFAGRNAWRJVTP-HNNXBMFYSA-N 1 1 292.448 2.851 50 0 CFAAMO Cc1nc2ccccc2nc1C[N@@H+](C)CCCn1cccn1 ZINC000215219619 282080992 /nfs/dbraw/zinc/08/09/92/282080992.db2.gz RETWCDKKBDDMGJ-UHFFFAOYSA-N 1 1 295.390 2.657 50 0 CFAAMO CCCCSc1nc(NC[C@H]2CCCO2)cc(N)[nH+]1 ZINC000095525318 185003458 /nfs/dbraw/zinc/00/34/58/185003458.db2.gz DLKYXSILWJBYLA-SNVBAGLBSA-N 1 1 282.413 2.542 50 0 CFAAMO CCCCSc1nc(N)cc(NC[C@H]2CCCO2)[nH+]1 ZINC000095525318 185003460 /nfs/dbraw/zinc/00/34/60/185003460.db2.gz DLKYXSILWJBYLA-SNVBAGLBSA-N 1 1 282.413 2.542 50 0 CFAAMO CCCc1nnc(NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)o1 ZINC000095530312 185005283 /nfs/dbraw/zinc/00/52/83/185005283.db2.gz YDQDDNZGSGABDR-QWHCGFSZSA-N 1 1 278.400 2.699 50 0 CFAAMO Cc1ccc(CN(C)c2cc[nH+]c(N(C)C)n2)s1 ZINC000095960965 185043443 /nfs/dbraw/zinc/04/34/43/185043443.db2.gz PHWDTBMDLRHZAA-UHFFFAOYSA-N 1 1 262.382 2.549 50 0 CFAAMO CC(C)c1[nH+]ccn1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000095974643 185050225 /nfs/dbraw/zinc/05/02/25/185050225.db2.gz VEYQQKRFFFFMNR-ZDUSSCGKSA-N 1 1 299.374 2.928 50 0 CFAAMO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCSC1 ZINC000095976608 185050933 /nfs/dbraw/zinc/05/09/33/185050933.db2.gz TXMRBVUHIMTHTQ-MRXNPFEDSA-N 1 1 287.432 2.869 50 0 CFAAMO C[C@@H](C[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000095982635 185054434 /nfs/dbraw/zinc/05/44/34/185054434.db2.gz ALYJNZOALBKICX-GWCFXTLKSA-N 1 1 284.197 2.619 50 0 CFAAMO Cc1nnc(C[N@H+](C)CC(C)(C)c2ccccc2)n1C ZINC000095986659 185056576 /nfs/dbraw/zinc/05/65/76/185056576.db2.gz XOKXHLGPKYQBCZ-UHFFFAOYSA-N 1 1 272.396 2.533 50 0 CFAAMO Cc1nnc(C[N@@H+](C)CC(C)(C)c2ccccc2)n1C ZINC000095986659 185056578 /nfs/dbraw/zinc/05/65/78/185056578.db2.gz XOKXHLGPKYQBCZ-UHFFFAOYSA-N 1 1 272.396 2.533 50 0 CFAAMO CC[C@@H](C(=O)NCc1c(F)ccc(C)c1F)[N@@H+](C)CC ZINC000823061355 781919120 /nfs/dbraw/zinc/91/91/20/781919120.db2.gz RPQXWTWEEBTPKO-ZDUSSCGKSA-N 1 1 284.350 2.620 50 0 CFAAMO CC[C@H]1CCC[C@H](C[N@@H+](CCOC)C(C)(C)CO)C1 ZINC000096011457 185065410 /nfs/dbraw/zinc/06/54/10/185065410.db2.gz GKYYFEWCDDACEK-GJZGRUSLSA-N 1 1 271.445 2.922 50 0 CFAAMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000097032653 185156556 /nfs/dbraw/zinc/15/65/56/185156556.db2.gz CXJYTDORCUYLAV-AWEZNQCLSA-N 1 1 290.338 2.672 50 0 CFAAMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000097032653 185156558 /nfs/dbraw/zinc/15/65/58/185156558.db2.gz CXJYTDORCUYLAV-AWEZNQCLSA-N 1 1 290.338 2.672 50 0 CFAAMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@H](C)n1cccn1 ZINC000070018070 346905293 /nfs/dbraw/zinc/90/52/93/346905293.db2.gz AGVOGZCMXOBQBF-STQMWFEESA-N 1 1 297.362 2.672 50 0 CFAAMO C[N@H+](Cc1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444969 529994889 /nfs/dbraw/zinc/99/48/89/529994889.db2.gz VLILDLFRWPNGNZ-CABCVRRESA-N 1 1 299.411 2.613 50 0 CFAAMO C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444969 529994890 /nfs/dbraw/zinc/99/48/90/529994890.db2.gz VLILDLFRWPNGNZ-CABCVRRESA-N 1 1 299.411 2.613 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000072280571 539464228 /nfs/dbraw/zinc/46/42/28/539464228.db2.gz WJSFXZWPDGXXKB-UHFFFAOYSA-N 1 1 281.787 2.818 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000001080749 346205351 /nfs/dbraw/zinc/20/53/51/346205351.db2.gz CESFOVNVFNXRAX-XJKCOSOUSA-N 1 1 261.365 2.849 50 0 CFAAMO CCOC(=O)CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000005808694 346212549 /nfs/dbraw/zinc/21/25/49/346212549.db2.gz DJXZYWZEALQOSK-AWEZNQCLSA-N 1 1 262.353 2.562 50 0 CFAAMO Clc1cnccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479866 347589119 /nfs/dbraw/zinc/58/91/19/347589119.db2.gz DZXWFNHMTIAXNV-SNVBAGLBSA-N 1 1 262.744 2.842 50 0 CFAAMO OC[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000092764282 347645770 /nfs/dbraw/zinc/64/57/70/347645770.db2.gz UAVQPFYKURUOTQ-SECBINFHSA-N 1 1 277.261 2.659 50 0 CFAAMO OC[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000092764282 347645773 /nfs/dbraw/zinc/64/57/73/347645773.db2.gz UAVQPFYKURUOTQ-SECBINFHSA-N 1 1 277.261 2.659 50 0 CFAAMO CC(C)C(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@H]1C ZINC000095882820 347699060 /nfs/dbraw/zinc/69/90/60/347699060.db2.gz PNEKCZNQOVAYFM-XJKSGUPXSA-N 1 1 261.365 2.805 50 0 CFAAMO c1ccc(OCc2nc([C@H]3CCCCC[NH2+]3)no2)cc1 ZINC000096001519 347699805 /nfs/dbraw/zinc/69/98/05/347699805.db2.gz TUZWEFHVVLICDW-CYBMUJFWSA-N 1 1 273.336 2.853 50 0 CFAAMO Cc1ncc2c(n1)C[N@H+](CCO[C@@H]1CCCC[C@H]1C)CC2 ZINC000106659801 347732002 /nfs/dbraw/zinc/73/20/02/347732002.db2.gz OKMNXOKRHKNCBJ-CXAGYDPISA-N 1 1 289.423 2.738 50 0 CFAAMO Cc1ncc2c(n1)C[N@@H+](CCO[C@@H]1CCCC[C@H]1C)CC2 ZINC000106659801 347732004 /nfs/dbraw/zinc/73/20/04/347732004.db2.gz OKMNXOKRHKNCBJ-CXAGYDPISA-N 1 1 289.423 2.738 50 0 CFAAMO COc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cn1 ZINC000120641915 347807945 /nfs/dbraw/zinc/80/79/45/347807945.db2.gz HVHWQGMSNABTOR-LBPRGKRZSA-N 1 1 296.374 2.828 50 0 CFAAMO Nc1cccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000170616831 348057502 /nfs/dbraw/zinc/05/75/02/348057502.db2.gz GNUWVTWPEOSLSL-QGZVFWFLSA-N 1 1 297.402 2.845 50 0 CFAAMO CC(F)(F)CCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000170623000 348057597 /nfs/dbraw/zinc/05/75/97/348057597.db2.gz YKBYTZYEYRZSEY-UHFFFAOYSA-N 1 1 296.361 2.596 50 0 CFAAMO C[N@@H+](Cc1ccccc1-n1cccn1)[C@H]1CCSC1 ZINC000130487235 539601112 /nfs/dbraw/zinc/60/11/12/539601112.db2.gz PWZQTWIGIHUYQD-AWEZNQCLSA-N 1 1 273.405 2.810 50 0 CFAAMO Cc1cc(C)c(CN[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000584887635 348727373 /nfs/dbraw/zinc/72/73/73/348727373.db2.gz ADUHIZLLISURIZ-HNNXBMFYSA-N 1 1 261.413 2.662 50 0 CFAAMO Cc1cccc2nc(CC[NH2+][C@@H]3CCCSC3)[nH]c21 ZINC000584893108 348729037 /nfs/dbraw/zinc/72/90/37/348729037.db2.gz SHWBDFJUUZIESB-GFCCVEGCSA-N 1 1 275.421 2.899 50 0 CFAAMO CC[C@@H](c1nnc(CCC(C)C)[nH]1)[NH+]1CCCC1 ZINC000584890530 348729165 /nfs/dbraw/zinc/72/91/65/348729165.db2.gz BVIYHENYNJYBDK-LBPRGKRZSA-N 1 1 250.390 2.940 50 0 CFAAMO CC[C@H](c1nnc(CCC(C)C)[nH]1)[NH+]1CCCC1 ZINC000584890529 348729249 /nfs/dbraw/zinc/72/92/49/348729249.db2.gz BVIYHENYNJYBDK-GFCCVEGCSA-N 1 1 250.390 2.940 50 0 CFAAMO C[C@H](CCn1cccn1)[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000584903315 348732913 /nfs/dbraw/zinc/73/29/13/348732913.db2.gz XTOMXBBRMBHHJJ-CYBMUJFWSA-N 1 1 297.362 2.502 50 0 CFAAMO CSCCC(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584904029 348733642 /nfs/dbraw/zinc/73/36/42/348733642.db2.gz ITAULRNJSXHNMN-UHFFFAOYSA-N 1 1 284.469 2.607 50 0 CFAAMO C[C@H]1C[C@@H](C(=O)N2CCCCCCC2)CC[N@H+]1C ZINC000585139222 348736372 /nfs/dbraw/zinc/73/63/72/348736372.db2.gz HLDKZWILETZWTJ-KBPBESRZSA-N 1 1 252.402 2.509 50 0 CFAAMO CCc1noc(C[N@@H+]2CCSC3(CCCCC3)C2)n1 ZINC000079504146 539770131 /nfs/dbraw/zinc/77/01/31/539770131.db2.gz NMJVQPDZJLWUMS-UHFFFAOYSA-N 1 1 281.425 2.884 50 0 CFAAMO CCc1noc(C[N@H+]2CCSC3(CCCCC3)C2)n1 ZINC000079504146 539770134 /nfs/dbraw/zinc/77/01/34/539770134.db2.gz NMJVQPDZJLWUMS-UHFFFAOYSA-N 1 1 281.425 2.884 50 0 CFAAMO CCNc1cc[nH+]c(NC[C@@H]2COc3ccccc3C2)n1 ZINC000091586122 180199675 /nfs/dbraw/zinc/19/96/75/180199675.db2.gz VZKKLWBKQYIKET-GFCCVEGCSA-N 1 1 284.363 2.572 50 0 CFAAMO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)cc1 ZINC000091594719 180201565 /nfs/dbraw/zinc/20/15/65/180201565.db2.gz NBRYNAODMODKPH-ZWKOTPCHSA-N 1 1 286.419 2.692 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2nccn2Cc2ccccc2)CC[C@]1(C)O ZINC000091536759 180182577 /nfs/dbraw/zinc/18/25/77/180182577.db2.gz QCHRPMSNVPRCJI-QAPCUYQASA-N 1 1 299.418 2.524 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)CC[C@]1(C)O ZINC000091536759 180182580 /nfs/dbraw/zinc/18/25/80/180182580.db2.gz QCHRPMSNVPRCJI-QAPCUYQASA-N 1 1 299.418 2.524 50 0 CFAAMO CSCCC[N@H+]1CC[C@@H](Cc2cccc(CO)c2)C1 ZINC000091551493 180189389 /nfs/dbraw/zinc/18/93/89/180189389.db2.gz VDAOIUREZWIVDS-HNNXBMFYSA-N 1 1 279.449 2.796 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091551789 180189412 /nfs/dbraw/zinc/18/94/12/180189412.db2.gz NZHYBCGLOPLDSD-INIZCTEOSA-N 1 1 299.361 2.956 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091551789 180189415 /nfs/dbraw/zinc/18/94/15/180189415.db2.gz NZHYBCGLOPLDSD-INIZCTEOSA-N 1 1 299.361 2.956 50 0 CFAAMO CCc1ccccc1C[N@H+]1CC[C@@](O)(COC)C(C)(C)C1 ZINC000091636552 180211394 /nfs/dbraw/zinc/21/13/94/180211394.db2.gz QDFSJTMKDVQCRU-GOSISDBHSA-N 1 1 291.435 2.858 50 0 CFAAMO c1ccc(CC[N@H+]2CCC[C@@H](CNc3ncccn3)C2)cc1 ZINC000091644853 180214649 /nfs/dbraw/zinc/21/46/49/180214649.db2.gz QGJNJLAOFKHNCN-KRWDZBQOSA-N 1 1 296.418 2.843 50 0 CFAAMO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccco2)C1 ZINC000091663157 180219392 /nfs/dbraw/zinc/21/93/92/180219392.db2.gz PFGJDHSKKITFEB-UKRRQHHQSA-N 1 1 288.391 2.503 50 0 CFAAMO CC1(C)C[N@@H+](CCOCc2ccccc2)CC[C@]1(C)O ZINC000091895056 180281999 /nfs/dbraw/zinc/28/19/99/180281999.db2.gz KRUBAVKSPWODFQ-KRWDZBQOSA-N 1 1 277.408 2.686 50 0 CFAAMO C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCCO1 ZINC000092427377 180383373 /nfs/dbraw/zinc/38/33/73/180383373.db2.gz VMMYSXSKVOPLCK-KRWDZBQOSA-N 1 1 285.391 2.873 50 0 CFAAMO c1cc2c(cc1[C@H]1CCC[N@@H+]1C[C@H]1CCOC1)OCCO2 ZINC000106824289 186137723 /nfs/dbraw/zinc/13/77/23/186137723.db2.gz LVSFXYGSZSENNJ-UKRRQHHQSA-N 1 1 289.375 2.631 50 0 CFAAMO CCOC[C@H](O)C[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000106853134 186143183 /nfs/dbraw/zinc/14/31/83/186143183.db2.gz JHNOOEYTEMPGBU-IUODEOHRSA-N 1 1 269.360 2.606 50 0 CFAAMO C[C@@H]1CCC[C@H](CC[NH+]2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000107361353 186172015 /nfs/dbraw/zinc/17/20/15/186172015.db2.gz VZXLVQYOJMTAHK-KZNAEPCWSA-N 1 1 294.483 2.857 50 0 CFAAMO Cc1cccc(NCc2cccc(-c3nc[nH]n3)c2)[nH+]1 ZINC000157586760 188325704 /nfs/dbraw/zinc/32/57/04/188325704.db2.gz YPRWRUOTAHXVQS-UHFFFAOYSA-N 1 1 265.320 2.787 50 0 CFAAMO CSc1nc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc(=O)[nH]1 ZINC000685943243 540022416 /nfs/dbraw/zinc/02/24/16/540022416.db2.gz HXJKPUVUMYJXTI-NXEZZACHSA-N 1 1 267.398 2.572 50 0 CFAAMO CN1CC[C@@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101424696 283041645 /nfs/dbraw/zinc/04/16/45/283041645.db2.gz IXNHRSPFKLGGAC-CMPLNLGQSA-N 1 1 258.287 2.657 50 0 CFAAMO Cc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCCC3)s1 ZINC000084205517 540197478 /nfs/dbraw/zinc/19/74/78/540197478.db2.gz JGJDLCZWVKCUGI-NSHDSACASA-N 1 1 276.409 2.835 50 0 CFAAMO NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000005900299 283355009 /nfs/dbraw/zinc/35/50/09/283355009.db2.gz OVXHCXQXXLLNRL-ROUUACIJSA-N 1 1 294.398 2.778 50 0 CFAAMO Cc1ccc2cc(C[N@@H+](C)C[C@@H]3CCOC3)c(=O)[nH]c2c1 ZINC000823708597 781936156 /nfs/dbraw/zinc/93/61/56/781936156.db2.gz XODWCSMBEYGPMW-ZDUSSCGKSA-N 1 1 286.375 2.717 50 0 CFAAMO Cc1ccc([C@H]2C[N@H+](C[C@H]3CCCO3)CCO2)c(C)c1 ZINC000253618282 540561001 /nfs/dbraw/zinc/56/10/01/540561001.db2.gz UGJUIYIUYQFXCM-NVXWUHKLSA-N 1 1 275.392 2.856 50 0 CFAAMO Cc1ccc([C@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)c(C)c1 ZINC000253618282 540561005 /nfs/dbraw/zinc/56/10/05/540561005.db2.gz UGJUIYIUYQFXCM-NVXWUHKLSA-N 1 1 275.392 2.856 50 0 CFAAMO c1ccn(C2CC[NH+](Cc3nnc(C4CCC4)o3)CC2)c1 ZINC000169984432 540550240 /nfs/dbraw/zinc/55/02/40/540550240.db2.gz GKVKFAVWZFBJEH-UHFFFAOYSA-N 1 1 286.379 2.976 50 0 CFAAMO CC1(C)CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3CCC3)C2)C1 ZINC000096013596 540726649 /nfs/dbraw/zinc/72/66/49/540726649.db2.gz JNWUIPRLSBWYKX-UONOGXRCSA-N 1 1 264.413 2.556 50 0 CFAAMO c1csc(-c2nnc(C[N@@H+]3CCCSCC3)o2)c1 ZINC000089985454 540720895 /nfs/dbraw/zinc/72/08/95/540720895.db2.gz MYWRKATYTUJPAA-UHFFFAOYSA-N 1 1 281.406 2.737 50 0 CFAAMO c1csc(-c2nnc(C[N@H+]3CCCSCC3)o2)c1 ZINC000089985454 540720900 /nfs/dbraw/zinc/72/09/00/540720900.db2.gz MYWRKATYTUJPAA-UHFFFAOYSA-N 1 1 281.406 2.737 50 0 CFAAMO c1cc2c(cccc2C[N@H+]2CC[C@]3(CCOC3)C2)[nH]1 ZINC000093820781 540723476 /nfs/dbraw/zinc/72/34/76/540723476.db2.gz MRYQITRDQNDHSY-INIZCTEOSA-N 1 1 256.349 2.780 50 0 CFAAMO C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCCOC2)ccc1Cl ZINC000252494196 540749482 /nfs/dbraw/zinc/74/94/82/540749482.db2.gz NOAHCLJWILLBNW-LLVKDONJSA-N 1 1 296.798 2.767 50 0 CFAAMO COCCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000584908736 540935043 /nfs/dbraw/zinc/93/50/43/540935043.db2.gz CMTBKXMIORAUFR-HNNXBMFYSA-N 1 1 287.407 2.785 50 0 CFAAMO c1ccc([C@@H]2C[N@H+](C3CSCCSC3)CCO2)cc1 ZINC000670440196 540995975 /nfs/dbraw/zinc/99/59/75/540995975.db2.gz CRIBMMAOGVGZNC-HNNXBMFYSA-N 1 1 295.473 2.909 50 0 CFAAMO c1ccc([C@@H]2C[N@@H+](C3CSCCSC3)CCO2)cc1 ZINC000670440196 540995977 /nfs/dbraw/zinc/99/59/77/540995977.db2.gz CRIBMMAOGVGZNC-HNNXBMFYSA-N 1 1 295.473 2.909 50 0 CFAAMO Cc1ccc(OCC[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1C ZINC000670442279 540996181 /nfs/dbraw/zinc/99/61/81/540996181.db2.gz RSVWIUALBAQQNK-OAHLLOKOSA-N 1 1 277.408 2.775 50 0 CFAAMO Cc1[nH]c2c([nH+]1)CCN(c1nnc(-c3ccccc3)s1)C2 ZINC000670446901 540997245 /nfs/dbraw/zinc/99/72/45/540997245.db2.gz QHUNFPNYCYPDKJ-UHFFFAOYSA-N 1 1 297.387 2.799 50 0 CFAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cc2ccccc2[nH]1 ZINC000670447981 540998318 /nfs/dbraw/zinc/99/83/18/540998318.db2.gz DZNMKSLAXOVRMS-LBPRGKRZSA-N 1 1 296.374 2.940 50 0 CFAAMO CO[C@@H]1CC[N@H+](C2CCN(c3cccc(C)c3C)CC2)C1 ZINC000670452750 541000337 /nfs/dbraw/zinc/00/03/37/541000337.db2.gz WJQFHMKUOHLAKP-QGZVFWFLSA-N 1 1 288.435 2.993 50 0 CFAAMO Fc1cccc(OC[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)c1 ZINC000670452939 541000590 /nfs/dbraw/zinc/00/05/90/541000590.db2.gz WGATUTKQEKQGRJ-CYBMUJFWSA-N 1 1 289.354 2.840 50 0 CFAAMO Fc1cccc(OC[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)c1 ZINC000670452939 541000591 /nfs/dbraw/zinc/00/05/91/541000591.db2.gz WGATUTKQEKQGRJ-CYBMUJFWSA-N 1 1 289.354 2.840 50 0 CFAAMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000205680132 541050368 /nfs/dbraw/zinc/05/03/68/541050368.db2.gz PGSOWPUBMLNVJS-LLVKDONJSA-N 1 1 262.382 2.554 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000215218537 189691699 /nfs/dbraw/zinc/69/16/99/189691699.db2.gz QMNWQAMPEZDRNR-AWEZNQCLSA-N 1 1 256.349 2.703 50 0 CFAAMO Cn1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000230102023 189805346 /nfs/dbraw/zinc/80/53/46/189805346.db2.gz GMZNYPJBRUTMIJ-CGTJXYLNSA-N 1 1 296.418 2.743 50 0 CFAAMO Cc1c(C[N@@H+]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000000183148 371551176 /nfs/dbraw/zinc/55/11/76/371551176.db2.gz UBOCNBKJCORLRE-AWEZNQCLSA-N 1 1 299.418 2.859 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000000212740 371559110 /nfs/dbraw/zinc/55/91/10/371559110.db2.gz FTPJMCBZZRURAT-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000000212740 371559114 /nfs/dbraw/zinc/55/91/14/371559114.db2.gz FTPJMCBZZRURAT-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO CCc1nc2ccccc2c(NC(=O)C[NH+](C)C)c1C ZINC000000190461 371554738 /nfs/dbraw/zinc/55/47/38/371554738.db2.gz QYQKUUVQSDNGGI-UHFFFAOYSA-N 1 1 271.364 2.606 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000000237793 371564218 /nfs/dbraw/zinc/56/42/18/371564218.db2.gz SGUNXEIHOGVXFK-INIZCTEOSA-N 1 1 274.408 2.767 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000000239715 371566473 /nfs/dbraw/zinc/56/64/73/371566473.db2.gz WKVNJYXAQPCQQT-CYBMUJFWSA-N 1 1 280.437 2.829 50 0 CFAAMO COc1ccc(C[NH2+]Cc2ccco2)c(OC)c1OC ZINC000000268558 371573700 /nfs/dbraw/zinc/57/37/00/371573700.db2.gz MORGQINDLMEREX-UHFFFAOYSA-N 1 1 277.320 2.595 50 0 CFAAMO CCC[N@@H+](CCO)Cc1ccc(Br)cc1 ZINC000000278575 371576876 /nfs/dbraw/zinc/57/68/76/371576876.db2.gz XIDYNAGPSYEBQO-UHFFFAOYSA-N 1 1 272.186 2.653 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000000277154 371576978 /nfs/dbraw/zinc/57/69/78/371576978.db2.gz BWRHLVGKMYKFLO-NSHDSACASA-N 1 1 259.271 2.662 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)c2cc3ccccc3o2)C1 ZINC000000375713 371598788 /nfs/dbraw/zinc/59/87/88/371598788.db2.gz NDXQYVAHQGOQKS-LBPRGKRZSA-N 1 1 259.305 2.684 50 0 CFAAMO O=C(C[N@H+]1CCCC[C@@H]1CCO)c1c[nH]c2ccccc12 ZINC000000485856 371628750 /nfs/dbraw/zinc/62/87/50/371628750.db2.gz CSRUGURZOBJCFQ-CYBMUJFWSA-N 1 1 286.375 2.588 50 0 CFAAMO O=C(C[N@@H+]1CCCC[C@@H]1CCO)c1c[nH]c2ccccc12 ZINC000000485856 371628760 /nfs/dbraw/zinc/62/87/60/371628760.db2.gz CSRUGURZOBJCFQ-CYBMUJFWSA-N 1 1 286.375 2.588 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000000753249 371647480 /nfs/dbraw/zinc/64/74/80/371647480.db2.gz BIJRDJBDJMIMBS-GFCCVEGCSA-N 1 1 284.197 2.653 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@H](O)c2c[nH]c3ccccc23)C1 ZINC000002293753 371721739 /nfs/dbraw/zinc/72/17/39/371721739.db2.gz XTZAJWIPFFKQJR-LRDDRELGSA-N 1 1 258.365 2.933 50 0 CFAAMO O=C(CC[N@H+](CCO)Cc1ccccc1)Nc1ccccc1 ZINC000002760617 371751868 /nfs/dbraw/zinc/75/18/68/371751868.db2.gz XOQFMXCKOSVVLH-UHFFFAOYSA-N 1 1 298.386 2.510 50 0 CFAAMO COc1ccc2nc(SCCC[NH+](C)C)[nH]c2c1 ZINC000002903039 371764459 /nfs/dbraw/zinc/76/44/59/371764459.db2.gz CXDGYAPEQYYMOO-UHFFFAOYSA-N 1 1 265.382 2.615 50 0 CFAAMO C[NH+](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000003157377 371776221 /nfs/dbraw/zinc/77/62/21/371776221.db2.gz OSIOZZGDDZUFMG-UHFFFAOYSA-N 1 1 254.333 2.913 50 0 CFAAMO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000003378666 371794510 /nfs/dbraw/zinc/79/45/10/371794510.db2.gz IBPULAJJIUSGER-CQSZACIVSA-N 1 1 272.348 2.621 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc(F)c(F)c1F ZINC000003414622 371798684 /nfs/dbraw/zinc/79/86/84/371798684.db2.gz IFJHONUOKGQGPY-MRVPVSSYSA-N 1 1 298.264 2.814 50 0 CFAAMO C[C@H]([NH2+]Cc1ccco1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000003440343 371801293 /nfs/dbraw/zinc/80/12/93/371801293.db2.gz BDWQDHSMFPQUBF-STQMWFEESA-N 1 1 284.359 2.736 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000003564854 371809578 /nfs/dbraw/zinc/80/95/78/371809578.db2.gz NQTWTQXWOBKWGU-CYBMUJFWSA-N 1 1 272.392 2.846 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000003865234 371820803 /nfs/dbraw/zinc/82/08/03/371820803.db2.gz LVNFKWOEAAOEKJ-JKSUJKDBSA-N 1 1 277.408 2.918 50 0 CFAAMO COc1ccc(C[N@H+]2CCc3ccccc3C2)cc1O ZINC000003847447 371821165 /nfs/dbraw/zinc/82/11/65/371821165.db2.gz DBMPALJYHQEPSY-UHFFFAOYSA-N 1 1 269.344 2.959 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)C[C@H]1C ZINC000004626719 371869854 /nfs/dbraw/zinc/86/98/54/371869854.db2.gz UVAZQQHAVMNMHE-CJNGLKHVSA-N 1 1 261.365 2.807 50 0 world CFAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000011847295 371931998 /nfs/dbraw/zinc/93/19/98/371931998.db2.gz KKCDJKPEBVZDHO-CZUORRHYSA-N 1 1 297.826 2.949 50 0 CFAAMO Cc1[nH+]cc(CN2CCO[C@@H](CC3CCCCC3)C2)n1C ZINC000012305419 371949791 /nfs/dbraw/zinc/94/97/91/371949791.db2.gz QVKXDIQOIVXOAB-KRWDZBQOSA-N 1 1 291.439 2.900 50 0 CFAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012363223 371955969 /nfs/dbraw/zinc/95/59/69/371955969.db2.gz VDYXTVZTXYQWHW-TXEJJXNPSA-N 1 1 296.798 2.778 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000013327262 372022870 /nfs/dbraw/zinc/02/28/70/372022870.db2.gz WKPRUBAIRXBTSY-UHFFFAOYSA-N 1 1 287.190 2.771 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COC2CCCCC2)C1 ZINC000016579150 372110241 /nfs/dbraw/zinc/11/02/41/372110241.db2.gz KDIJQKVDTOMHMR-QLFBSQMISA-N 1 1 269.429 2.675 50 0 CFAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCc1ccco1 ZINC000015371994 372082996 /nfs/dbraw/zinc/08/29/96/372082996.db2.gz YNFBSOUTVZEYAX-CYBMUJFWSA-N 1 1 272.348 2.589 50 0 CFAAMO CSc1c(C[NH+]2CCN(C)CC2)c2ccccc2n1C ZINC000019367309 372158375 /nfs/dbraw/zinc/15/83/75/372158375.db2.gz GJQJRFRJRAJEGO-UHFFFAOYSA-N 1 1 289.448 2.648 50 0 CFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000019774008 372186117 /nfs/dbraw/zinc/18/61/17/372186117.db2.gz YFNIBCSPNFLNRW-UHFFFAOYSA-N 1 1 294.398 2.953 50 0 CFAAMO CC[NH+]1CCN(Cc2c(C)[nH]c3c(C)cccc3c2=O)CC1 ZINC000019791808 372187999 /nfs/dbraw/zinc/18/79/99/372187999.db2.gz AUTADIMODNEOPI-UHFFFAOYSA-N 1 1 299.418 2.695 50 0 CFAAMO O[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000019799196 372189699 /nfs/dbraw/zinc/18/96/99/372189699.db2.gz FVLVBRMZBPQASS-QGZVFWFLSA-N 1 1 271.335 2.919 50 0 CFAAMO CCN1CCN(C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000019888980 372203883 /nfs/dbraw/zinc/20/38/83/372203883.db2.gz YILRBLMNNNHMEW-FUHWJXTLSA-N 1 1 293.499 2.667 50 0 CFAAMO O[C@@H](C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000025217253 372292385 /nfs/dbraw/zinc/29/23/85/372292385.db2.gz YKWPCIDHTLDGKV-KRWDZBQOSA-N 1 1 271.335 2.917 50 0 CFAAMO ClC1=CC[C@@H]2C[N@@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000022064021 372243765 /nfs/dbraw/zinc/24/37/65/372243765.db2.gz QLOKZGCVMSPXQI-OLZOCXBDSA-N 1 1 254.805 2.547 50 0 CFAAMO ClC1=CC[C@@H]2CN(CC[NH+]3CCCC3)C[C@@H]2C1 ZINC000022064021 372243773 /nfs/dbraw/zinc/24/37/73/372243773.db2.gz QLOKZGCVMSPXQI-OLZOCXBDSA-N 1 1 254.805 2.547 50 0 CFAAMO C[NH+]1CCN(Cc2ccc(C(=O)C3CCCC3)cc2)CC1 ZINC000022027966 372244043 /nfs/dbraw/zinc/24/40/43/372244043.db2.gz KJSVHVKMWWTUQK-UHFFFAOYSA-N 1 1 286.419 2.807 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1cccc(Cl)c1 ZINC000022935906 372249157 /nfs/dbraw/zinc/24/91/57/372249157.db2.gz SOSKTAAFCABETK-AWEZNQCLSA-N 1 1 252.789 2.914 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1cccc(Cl)c1 ZINC000022935906 372249163 /nfs/dbraw/zinc/24/91/63/372249163.db2.gz SOSKTAAFCABETK-AWEZNQCLSA-N 1 1 252.789 2.914 50 0 CFAAMO Clc1ccc2c(c1)ncnc2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000024659896 372279405 /nfs/dbraw/zinc/27/94/05/372279405.db2.gz GCQBYOSHPFWXSL-GFCCVEGCSA-N 1 1 288.782 2.568 50 0 CFAAMO Cc1sc2ncnc(N3CC[N@H+]4CCC[C@@H]4C3)c2c1C ZINC000024659713 372280249 /nfs/dbraw/zinc/28/02/49/372280249.db2.gz QICLGZSCGZMJBN-GFCCVEGCSA-N 1 1 288.420 2.593 50 0 CFAAMO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000026157494 372314108 /nfs/dbraw/zinc/31/41/08/372314108.db2.gz NCYCIPBARVPSSK-WFASDCNBSA-N 1 1 254.333 2.564 50 0 CFAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@H]1CCc2ccccc21 ZINC000029489004 372380913 /nfs/dbraw/zinc/38/09/13/372380913.db2.gz AWAANEFIVJAPKU-KRWDZBQOSA-N 1 1 280.371 2.905 50 0 CFAAMO CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C1CC1 ZINC000029914260 372387176 /nfs/dbraw/zinc/38/71/76/372387176.db2.gz JMJLUNBLOPMBID-UHFFFAOYSA-N 1 1 297.402 2.537 50 0 CFAAMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000030270434 372390606 /nfs/dbraw/zinc/39/06/06/372390606.db2.gz WVLJJJORUZISOV-SNVBAGLBSA-N 1 1 298.408 2.594 50 0 CFAAMO Cc1ccccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000030363320 372392588 /nfs/dbraw/zinc/39/25/88/372392588.db2.gz HSXIFQXBMARZHK-UHFFFAOYSA-N 1 1 294.398 2.783 50 0 CFAAMO C[N@@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@@H](c2ccccc2)C1 ZINC000032819225 372466296 /nfs/dbraw/zinc/46/62/96/372466296.db2.gz WFOVYQVABSOZLJ-NVXWUHKLSA-N 1 1 284.403 2.858 50 0 CFAAMO C[N@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@@H](c2ccccc2)C1 ZINC000032819225 372466305 /nfs/dbraw/zinc/46/63/05/372466305.db2.gz WFOVYQVABSOZLJ-NVXWUHKLSA-N 1 1 284.403 2.858 50 0 CFAAMO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCC1 ZINC000032851100 372467534 /nfs/dbraw/zinc/46/75/34/372467534.db2.gz HCCFBSMUPXURPS-UHFFFAOYSA-N 1 1 291.782 2.722 50 0 CFAAMO Cc1cc(NC(=O)CC[N@H+](C)C2CCCCCC2)no1 ZINC000032858123 372470325 /nfs/dbraw/zinc/47/03/25/372470325.db2.gz KJEOIPBCKCLLLL-UHFFFAOYSA-N 1 1 279.384 2.966 50 0 CFAAMO NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000038808916 372775608 /nfs/dbraw/zinc/77/56/08/372775608.db2.gz FNLFYBHUAIQAHA-LBPRGKRZSA-N 1 1 258.287 2.801 50 0 CFAAMO Cc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)o1 ZINC000039404910 372778353 /nfs/dbraw/zinc/77/83/53/372778353.db2.gz HSKPZJONQZQRCA-OAHLLOKOSA-N 1 1 294.439 2.503 50 0 CFAAMO CC1(C)C[C@H](C[N@H+]2CC[C@](O)(c3ccccc3)C2)CCO1 ZINC000039490372 372780152 /nfs/dbraw/zinc/78/01/52/372780152.db2.gz YXUVAYFFOOZIPC-CRAIPNDOSA-N 1 1 289.419 2.785 50 0 CFAAMO CC[NH+]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000041501375 372843305 /nfs/dbraw/zinc/84/33/05/372843305.db2.gz QBQUFIDOWOMCAG-UHFFFAOYSA-N 1 1 292.810 2.536 50 0 CFAAMO c1[nH]nc(-c2ccccc2)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229099 372891472 /nfs/dbraw/zinc/89/14/72/372891472.db2.gz GSWMTSBZBQORJB-CQSZACIVSA-N 1 1 296.418 2.651 50 0 CFAAMO c1[nH]nc(-c2ccccc2)c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229099 372891488 /nfs/dbraw/zinc/89/14/88/372891488.db2.gz GSWMTSBZBQORJB-CQSZACIVSA-N 1 1 296.418 2.651 50 0 CFAAMO CC(C)Oc1ccccc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044686165 373008160 /nfs/dbraw/zinc/00/81/60/373008160.db2.gz KVEWFDNFYPNWQL-HNNXBMFYSA-N 1 1 274.408 2.800 50 0 CFAAMO CC(C)Oc1ccccc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000044686165 373008172 /nfs/dbraw/zinc/00/81/72/373008172.db2.gz KVEWFDNFYPNWQL-HNNXBMFYSA-N 1 1 274.408 2.800 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)CCc2ccsc2)C1 ZINC000046878467 373064177 /nfs/dbraw/zinc/06/41/77/373064177.db2.gz IGWUJRPJLJDDKZ-CYBMUJFWSA-N 1 1 280.437 2.529 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2c(F)cccc2Cl)C1 ZINC000046861281 373065377 /nfs/dbraw/zinc/06/53/77/373065377.db2.gz CRCGKLCUAMUVEH-NSHDSACASA-N 1 1 298.789 2.941 50 0 CFAAMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000046956793 373073183 /nfs/dbraw/zinc/07/31/83/373073183.db2.gz PQUZBAFQFIGFDQ-LLVKDONJSA-N 1 1 281.787 2.803 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048309716 373160598 /nfs/dbraw/zinc/16/05/98/373160598.db2.gz YUMWFVUJBZOESC-LBPRGKRZSA-N 1 1 277.393 2.521 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000048346060 373167644 /nfs/dbraw/zinc/16/76/44/373167644.db2.gz WUVXNMGJDAOYIV-ZDUSSCGKSA-N 1 1 292.766 2.952 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000048346060 373167650 /nfs/dbraw/zinc/16/76/50/373167650.db2.gz WUVXNMGJDAOYIV-ZDUSSCGKSA-N 1 1 292.766 2.952 50 0 CFAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000050025427 373339498 /nfs/dbraw/zinc/33/94/98/373339498.db2.gz BCISUUWLZAPBNW-INIZCTEOSA-N 1 1 295.386 2.993 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000050113995 373353510 /nfs/dbraw/zinc/35/35/10/373353510.db2.gz XDQMANRUMJGUFC-NSHDSACASA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1F ZINC000050113995 373353515 /nfs/dbraw/zinc/35/35/15/373353515.db2.gz XDQMANRUMJGUFC-NSHDSACASA-N 1 1 288.160 2.545 50 0 CFAAMO OCCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052453292 373444916 /nfs/dbraw/zinc/44/49/16/373444916.db2.gz PWNYNYKJGXTXOS-ZDUSSCGKSA-N 1 1 284.197 2.968 50 0 CFAAMO CC[C@@H]1CCCC[N@@H+]1CN1C(=O)c2ccccc2C1=O ZINC000054201866 373504860 /nfs/dbraw/zinc/50/48/60/373504860.db2.gz GTHRDDXAAKTDJS-GFCCVEGCSA-N 1 1 272.348 2.505 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CN1C(=O)c2ccccc2C1=O ZINC000054201866 373504863 /nfs/dbraw/zinc/50/48/63/373504863.db2.gz GTHRDDXAAKTDJS-GFCCVEGCSA-N 1 1 272.348 2.505 50 0 CFAAMO Cc1noc([C@@H]2CCN(c3cc[nH+]c4ccsc43)C2)n1 ZINC000333720174 205633692 /nfs/dbraw/zinc/63/36/92/205633692.db2.gz RFXXUULYNUPHJT-SNVBAGLBSA-N 1 1 286.360 2.982 50 0 CFAAMO COC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000053907066 373487958 /nfs/dbraw/zinc/48/79/58/373487958.db2.gz RDDGZMFTFSFXPC-GFCCVEGCSA-N 1 1 287.363 2.908 50 0 CFAAMO C[NH+]1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000055075691 373539495 /nfs/dbraw/zinc/53/94/95/373539495.db2.gz NJLKRAAPPVSYNV-JXMROGBWSA-N 1 1 286.419 2.771 50 0 CFAAMO C(=C/[NH+]1CCCCCC1)\c1nnnn1-c1ccccc1 ZINC000055135280 373541430 /nfs/dbraw/zinc/54/14/30/373541430.db2.gz GNZMIOJVXGCJPP-JLHYYAGUSA-N 1 1 269.352 2.509 50 0 CFAAMO CCC[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000055343317 373549180 /nfs/dbraw/zinc/54/91/80/373549180.db2.gz JNLZBEOACPNPRC-UHFFFAOYSA-N 1 1 258.369 2.580 50 0 CFAAMO Cc1noc(C)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055416888 373552358 /nfs/dbraw/zinc/55/23/58/373552358.db2.gz ULHCKRBRSHYMRF-UHFFFAOYSA-N 1 1 271.364 2.614 50 0 CFAAMO CCOCc1cccc(C[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000056215314 373563094 /nfs/dbraw/zinc/56/30/94/373563094.db2.gz YFWFNGCVHBTEGW-KRWDZBQOSA-N 1 1 298.386 2.539 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000058390807 373652755 /nfs/dbraw/zinc/65/27/55/373652755.db2.gz SWXQSJBSIVRICS-CXAGYDPISA-N 1 1 286.419 2.911 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@@H]2C)cc1F ZINC000058407637 373654208 /nfs/dbraw/zinc/65/42/08/373654208.db2.gz GOLXCJWDFGNSQU-GXFFZTMASA-N 1 1 287.338 2.592 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1F ZINC000058407638 373654423 /nfs/dbraw/zinc/65/44/23/373654423.db2.gz GOLXCJWDFGNSQU-GWCFXTLKSA-N 1 1 287.338 2.592 50 0 CFAAMO COc1c(C[NH2+][C@@H]2CCc3c2cccc3F)c(C)nn1C ZINC000058426874 373656002 /nfs/dbraw/zinc/65/60/02/373656002.db2.gz JRCGSYPPGBCOQI-OAHLLOKOSA-N 1 1 289.354 2.653 50 0 CFAAMO CCOCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000057621095 373604900 /nfs/dbraw/zinc/60/49/00/373604900.db2.gz YJCVDRMYWSMIKJ-HNNXBMFYSA-N 1 1 279.380 2.877 50 0 CFAAMO C[C@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285549 373716277 /nfs/dbraw/zinc/71/62/77/373716277.db2.gz CYKZBLNMJRSHMZ-GXTWGEPZSA-N 1 1 290.432 2.830 50 0 CFAAMO C/C(=C\c1ccco1)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000065497384 373880038 /nfs/dbraw/zinc/88/00/38/373880038.db2.gz CXYFNXJLFCCEQT-GOFCXVBSSA-N 1 1 260.381 2.853 50 0 CFAAMO CCC[C@H](Nc1nc(N(C)C)c(C)c[nH+]1)c1nccn1C ZINC000065533885 373885372 /nfs/dbraw/zinc/88/53/72/373885372.db2.gz HUNFCZAHYUUXEX-LBPRGKRZSA-N 1 1 288.399 2.538 50 0 CFAAMO Fc1ccc(F)c(CN2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000065564126 373887415 /nfs/dbraw/zinc/88/74/15/373887415.db2.gz UKHDZFLSTJLHBB-CQSZACIVSA-N 1 1 266.335 2.635 50 0 CFAAMO Cc1csc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000065593660 373891487 /nfs/dbraw/zinc/89/14/87/373891487.db2.gz QBBWBQYLHRUIFP-ZDUSSCGKSA-N 1 1 288.420 2.730 50 0 CFAAMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000065287724 373853300 /nfs/dbraw/zinc/85/33/00/373853300.db2.gz DIVBHLINCKLBFO-MRXNPFEDSA-N 1 1 284.407 2.986 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2ccccc2C)n1 ZINC000065288330 373854943 /nfs/dbraw/zinc/85/49/43/373854943.db2.gz MBQKQCXDRYTFNU-UHFFFAOYSA-N 1 1 268.320 2.852 50 0 CFAAMO CC(C)c1cccc(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000065395475 373863637 /nfs/dbraw/zinc/86/36/37/373863637.db2.gz WMHCLFGBMNYRHW-UHFFFAOYSA-N 1 1 296.418 2.922 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)cc1 ZINC000065395583 373863903 /nfs/dbraw/zinc/86/39/03/373863903.db2.gz MFWJLFOQSHKTKQ-SJORKVTESA-N 1 1 286.419 2.738 50 0 CFAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000065407434 373868078 /nfs/dbraw/zinc/86/80/78/373868078.db2.gz VUEDGOHIRMZSID-MRXNPFEDSA-N 1 1 260.381 2.567 50 0 CFAAMO c1cn(C[C@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000065408276 373868222 /nfs/dbraw/zinc/86/82/22/373868222.db2.gz ZPDXLVSVDBHUHT-KRWDZBQOSA-N 1 1 269.392 2.838 50 0 CFAAMO CCNc1cc[nH+]c(NCc2ccc(Cl)nc2)n1 ZINC000065408390 373869430 /nfs/dbraw/zinc/86/94/30/373869430.db2.gz SRMGDXWRPPPKJQ-UHFFFAOYSA-N 1 1 263.732 2.569 50 0 CFAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1sccc1C ZINC000066137740 373913867 /nfs/dbraw/zinc/91/38/67/373913867.db2.gz BOQLLPAEKDRJSX-LLVKDONJSA-N 1 1 254.399 2.517 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNc1cc(C(C)C)nc(C)n1 ZINC000067754637 373998848 /nfs/dbraw/zinc/99/88/48/373998848.db2.gz GZPLUOMTGHNIJB-ZDUSSCGKSA-N 1 1 262.401 2.805 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNc1cc(C(C)C)nc(C)n1 ZINC000067754635 373999262 /nfs/dbraw/zinc/99/92/62/373999262.db2.gz GZPLUOMTGHNIJB-CYBMUJFWSA-N 1 1 262.401 2.805 50 0 CFAAMO CN(Cc1cc(C(C)(C)C)n[nH]1)c1[nH+]cnc2[nH]ccc21 ZINC000067786169 374001833 /nfs/dbraw/zinc/00/18/33/374001833.db2.gz BZAAPRJFQBVDJW-UHFFFAOYSA-N 1 1 284.367 2.615 50 0 CFAAMO CCc1ccc(-c2nccn2C[C@H]2CCCC[N@H+]2C)nc1 ZINC000067881383 374012198 /nfs/dbraw/zinc/01/21/98/374012198.db2.gz KOWJZYLKMWSTSQ-OAHLLOKOSA-N 1 1 284.407 2.992 50 0 CFAAMO CSC[C@H](C)[NH2+]CCCc1nc2ccc(F)cc2[nH]1 ZINC000067909046 374014988 /nfs/dbraw/zinc/01/49/88/374014988.db2.gz DIXQPSYLPCASQT-JTQLQIEISA-N 1 1 281.400 2.976 50 0 CFAAMO CCOCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000067231168 373973414 /nfs/dbraw/zinc/97/34/14/373973414.db2.gz LSJYDGDEDWGJMD-CQSZACIVSA-N 1 1 277.364 2.631 50 0 CFAAMO CC[N@H+]1CCC[C@H](CCNC(=O)c2ncoc2C(C)C)C1 ZINC000067491225 373980973 /nfs/dbraw/zinc/98/09/73/373980973.db2.gz LZGQOKNYVQVKGX-CYBMUJFWSA-N 1 1 293.411 2.650 50 0 CFAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000067472755 373981804 /nfs/dbraw/zinc/98/18/04/373981804.db2.gz OOZNGGDRTZEAMH-AWEZNQCLSA-N 1 1 299.418 2.856 50 0 CFAAMO C[C@H](c1nccn1CCC[NH+]1CCOCC1)c1ccccc1 ZINC000067675770 373991732 /nfs/dbraw/zinc/99/17/32/373991732.db2.gz COQUHJNKCXDLGY-INIZCTEOSA-N 1 1 299.418 2.757 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000069616505 374078336 /nfs/dbraw/zinc/07/83/36/374078336.db2.gz QWYOTPGLUBJPNG-GJZGRUSLSA-N 1 1 264.413 2.652 50 0 CFAAMO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)cc12 ZINC000069161149 374050630 /nfs/dbraw/zinc/05/06/30/374050630.db2.gz WOXGLHGXYMTJSU-MRXNPFEDSA-N 1 1 295.390 2.942 50 0 CFAAMO COc1cccc(-c2noc(C[N@@H+](C)[C@H](C)C3CC3)n2)c1 ZINC000069415197 374059808 /nfs/dbraw/zinc/05/98/08/374059808.db2.gz RWNMHLDGHNNVTE-LLVKDONJSA-N 1 1 287.363 2.976 50 0 CFAAMO CC[N@@H+](CCC(=O)Nc1ccccc1F)C1CC1 ZINC000069451258 374063927 /nfs/dbraw/zinc/06/39/27/374063927.db2.gz WWPWORLLVVGDMP-UHFFFAOYSA-N 1 1 250.317 2.639 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069491691 374068704 /nfs/dbraw/zinc/06/87/04/374068704.db2.gz BTNVJXOYUPKCPZ-CABCVRRESA-N 1 1 276.355 2.525 50 0 CFAAMO c1csc(C[N@H+]2CCCN(Cc3ccccn3)CC2)c1 ZINC000069510635 374070678 /nfs/dbraw/zinc/07/06/78/374070678.db2.gz ATSVUBQKUJJUSL-UHFFFAOYSA-N 1 1 287.432 2.851 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000069518035 374070878 /nfs/dbraw/zinc/07/08/78/374070878.db2.gz ABJHTZWHILESBO-IRXDYDNUSA-N 1 1 286.419 2.704 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000069922051 374109493 /nfs/dbraw/zinc/10/94/93/374109493.db2.gz XMTXBSCSRYHILS-CABCVRRESA-N 1 1 294.345 2.664 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000069951057 374111215 /nfs/dbraw/zinc/11/12/15/374111215.db2.gz VUJNITCHSFCSGP-CABCVRRESA-N 1 1 292.448 2.766 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)n1 ZINC000070006635 374114060 /nfs/dbraw/zinc/11/40/60/374114060.db2.gz GRVFTHBVSNNCSN-OAHLLOKOSA-N 1 1 288.395 2.769 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)n1 ZINC000070006635 374114065 /nfs/dbraw/zinc/11/40/65/374114065.db2.gz GRVFTHBVSNNCSN-OAHLLOKOSA-N 1 1 288.395 2.769 50 0 CFAAMO C[N@@H+]1CCN(C(=O)C2CCCC2)c2ccccc2C1 ZINC000069893207 374106707 /nfs/dbraw/zinc/10/67/07/374106707.db2.gz BISGLSRXMXACDD-UHFFFAOYSA-N 1 1 258.365 2.655 50 0 CFAAMO C[N@H+]1CCN(C(=O)C2CCCC2)c2ccccc2C1 ZINC000069893207 374106710 /nfs/dbraw/zinc/10/67/10/374106710.db2.gz BISGLSRXMXACDD-UHFFFAOYSA-N 1 1 258.365 2.655 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000071792383 374225079 /nfs/dbraw/zinc/22/50/79/374225079.db2.gz FIYIDQPTORBSOZ-ZDUSSCGKSA-N 1 1 256.353 2.635 50 0 CFAAMO Cc1c[nH]c(CCNc2cc(C(C)C)nc3ccnn32)[nH+]1 ZINC000072422218 374251667 /nfs/dbraw/zinc/25/16/67/374251667.db2.gz APLBAZGIQWITDB-UHFFFAOYSA-N 1 1 284.367 2.539 50 0 CFAAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC=C(C)C ZINC000072268706 374237351 /nfs/dbraw/zinc/23/73/51/374237351.db2.gz DZVJMNFDOUSEJV-LSDHHAIUSA-N 1 1 264.413 2.818 50 0 CFAAMO COC(=O)/C(C)=C/C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000072309046 374243039 /nfs/dbraw/zinc/24/30/39/374243039.db2.gz JWQWHEMSPVGTCR-ISBHARSQSA-N 1 1 289.375 2.951 50 0 CFAAMO CCn1cc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)cn1 ZINC000072982746 374312565 /nfs/dbraw/zinc/31/25/65/374312565.db2.gz MBFPCIQFQQEPAG-UHFFFAOYSA-N 1 1 288.395 2.555 50 0 CFAAMO CC1(C)CC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000076012495 374520158 /nfs/dbraw/zinc/52/01/58/374520158.db2.gz CSJQPNRKFMRGSW-CQSZACIVSA-N 1 1 274.364 2.744 50 0 CFAAMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccco2)C1 ZINC000076068837 374528732 /nfs/dbraw/zinc/52/87/32/374528732.db2.gz DSYZUKPBTYFZLS-JSGCOSHPSA-N 1 1 296.436 2.502 50 0 CFAAMO CN(CC(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110105 374532379 /nfs/dbraw/zinc/53/23/79/374532379.db2.gz JAZKMCCPRNHFRS-CQSZACIVSA-N 1 1 268.351 2.705 50 0 CFAAMO CCc1cnc(C[N@@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)o1 ZINC000078901121 374573989 /nfs/dbraw/zinc/57/39/89/374573989.db2.gz KFXCHCLFOAPJRO-GFCCVEGCSA-N 1 1 274.368 2.648 50 0 CFAAMO CCc1cnc(C[N@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)o1 ZINC000078901121 374573996 /nfs/dbraw/zinc/57/39/96/374573996.db2.gz KFXCHCLFOAPJRO-GFCCVEGCSA-N 1 1 274.368 2.648 50 0 CFAAMO CCc1cnc(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)o1 ZINC000078901121 374574002 /nfs/dbraw/zinc/57/40/02/374574002.db2.gz KFXCHCLFOAPJRO-GFCCVEGCSA-N 1 1 274.368 2.648 50 0 CFAAMO CCc1cnc(C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)o1 ZINC000078901121 374574009 /nfs/dbraw/zinc/57/40/09/374574009.db2.gz KFXCHCLFOAPJRO-GFCCVEGCSA-N 1 1 274.368 2.648 50 0 CFAAMO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000079036784 374586647 /nfs/dbraw/zinc/58/66/47/374586647.db2.gz AYNMELWMROMBOX-UHFFFAOYSA-N 1 1 291.395 2.524 50 0 CFAAMO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000079036784 374586649 /nfs/dbraw/zinc/58/66/49/374586649.db2.gz AYNMELWMROMBOX-UHFFFAOYSA-N 1 1 291.395 2.524 50 0 CFAAMO c1cn(-c2ccc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)cc2)cn1 ZINC000079354374 374606230 /nfs/dbraw/zinc/60/62/30/374606230.db2.gz NZJMBOSCGSHZHF-DLBZAZTESA-N 1 1 283.375 2.626 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1nccs1 ZINC000080289696 374647928 /nfs/dbraw/zinc/64/79/28/374647928.db2.gz KLOKSGJSPFCNPR-SECBINFHSA-N 1 1 262.334 2.723 50 0 CFAAMO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1nccs1 ZINC000080289691 374648781 /nfs/dbraw/zinc/64/87/81/374648781.db2.gz KLOKSGJSPFCNPR-VIFPVBQESA-N 1 1 262.334 2.723 50 0 CFAAMO C[N@H+]1CCCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000083877990 374759097 /nfs/dbraw/zinc/75/90/97/374759097.db2.gz IOFRRRXLBUGEBO-UHFFFAOYSA-N 1 1 259.328 2.516 50 0 CFAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000082039580 374724273 /nfs/dbraw/zinc/72/42/73/374724273.db2.gz HEDFQICLJAGZFW-CZAWJFPGSA-N 1 1 299.374 2.646 50 0 CFAAMO CCc1nc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cs1 ZINC000089289932 374894492 /nfs/dbraw/zinc/89/44/92/374894492.db2.gz LCQWGRVPEMFBTL-LBPRGKRZSA-N 1 1 288.420 2.875 50 0 CFAAMO CCc1nc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cs1 ZINC000089289932 374894498 /nfs/dbraw/zinc/89/44/98/374894498.db2.gz LCQWGRVPEMFBTL-LBPRGKRZSA-N 1 1 288.420 2.875 50 0 CFAAMO CSCc1cc(F)ccc1C[NH2+]Cc1ncc[nH]1 ZINC000088751761 374862836 /nfs/dbraw/zinc/86/28/36/374862836.db2.gz CMRAVNHIQWODKW-UHFFFAOYSA-N 1 1 265.357 2.702 50 0 CFAAMO Cc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+](C)CC1 ZINC000089657419 374934735 /nfs/dbraw/zinc/93/47/35/374934735.db2.gz CBUNHMTYCXFTJE-INIZCTEOSA-N 1 1 274.408 2.893 50 0 CFAAMO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000089689312 374938563 /nfs/dbraw/zinc/93/85/63/374938563.db2.gz QGBWPOXQNBJZAK-CVEARBPZSA-N 1 1 272.436 3.000 50 0 CFAAMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894297 374965073 /nfs/dbraw/zinc/96/50/73/374965073.db2.gz DYRKSLCHXYRGMT-NEPJUHHUSA-N 1 1 292.404 2.996 50 0 CFAAMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894297 374965079 /nfs/dbraw/zinc/96/50/79/374965079.db2.gz DYRKSLCHXYRGMT-NEPJUHHUSA-N 1 1 292.404 2.996 50 0 CFAAMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000089893067 374965194 /nfs/dbraw/zinc/96/51/94/374965194.db2.gz QNTPKGBPNCLZIX-AWEZNQCLSA-N 1 1 292.379 2.600 50 0 CFAAMO CN(C)c1cccc(C[N@@H+](C)CCc2ccccn2)c1 ZINC000089922774 374968438 /nfs/dbraw/zinc/96/84/38/374968438.db2.gz SFALJZMMBXPHFW-UHFFFAOYSA-N 1 1 269.392 2.822 50 0 CFAAMO CC[N@@H+](Cc1noc(-c2cccs2)n1)C[C@H]1CCOC1 ZINC000089969402 374978832 /nfs/dbraw/zinc/97/88/32/374978832.db2.gz VDGOFWPWYUQCOQ-LLVKDONJSA-N 1 1 293.392 2.657 50 0 CFAAMO CC[N@H+](Cc1noc(-c2cccs2)n1)C[C@H]1CCOC1 ZINC000089969402 374978840 /nfs/dbraw/zinc/97/88/40/374978840.db2.gz VDGOFWPWYUQCOQ-LLVKDONJSA-N 1 1 293.392 2.657 50 0 CFAAMO C[N@H+](Cc1ccccc1-n1cccn1)C[C@@H]1CCCCO1 ZINC000092427316 375109967 /nfs/dbraw/zinc/10/99/67/375109967.db2.gz MMOKEIGSSQLSHZ-INIZCTEOSA-N 1 1 285.391 2.873 50 0 CFAAMO Cc1ccc(C[N@@H+](CCO)Cc2cccnc2)c(C)c1 ZINC000093086067 375184377 /nfs/dbraw/zinc/18/43/77/375184377.db2.gz NEDWFQNYJWJHKN-UHFFFAOYSA-N 1 1 270.376 2.693 50 0 CFAAMO CCSC[C@@H](C)[N@@H+](C)Cc1nc(C)ccc1O ZINC000093739305 375305385 /nfs/dbraw/zinc/30/53/85/375305385.db2.gz GULJPBFXLMPJTE-LLVKDONJSA-N 1 1 254.399 2.669 50 0 CFAAMO CSC[C@@H]1CCC[N@H+]1Cc1cccc2c[nH]nc21 ZINC000093760987 375307115 /nfs/dbraw/zinc/30/71/15/375307115.db2.gz RGZMTMBYMZXYSP-ZDUSSCGKSA-N 1 1 261.394 2.890 50 0 CFAAMO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)CCO1 ZINC000095465777 375458291 /nfs/dbraw/zinc/45/82/91/375458291.db2.gz LEFDNDKZSCZHMX-CABCVRRESA-N 1 1 265.401 2.792 50 0 CFAAMO C[N@@H+](CCc1ccncc1)C[C@H](O)c1cccc(Cl)c1 ZINC000095999376 375466012 /nfs/dbraw/zinc/46/60/12/375466012.db2.gz DVUIINPRDRHQSD-INIZCTEOSA-N 1 1 290.794 2.943 50 0 CFAAMO Cc1cccc([C@@H](C(=O)NCc2ccoc2)[NH+](C)C)c1 ZINC000095370671 375422899 /nfs/dbraw/zinc/42/28/99/375422899.db2.gz INXJIQXYMUYKMK-HNNXBMFYSA-N 1 1 272.348 2.507 50 0 CFAAMO c1cc2cccc(-c3ccccc3C[NH+]3CCOCC3)n2n1 ZINC000096152454 375470182 /nfs/dbraw/zinc/47/01/82/375470182.db2.gz DWMZVTFFRXAJAJ-UHFFFAOYSA-N 1 1 293.370 2.834 50 0 CFAAMO Cc1cc(C)c2c(ncnc2NCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000095379780 375425821 /nfs/dbraw/zinc/42/58/21/375425821.db2.gz UPMSNBCUNVKBGC-ZDUSSCGKSA-N 1 1 285.395 2.538 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCn1cccc(C(F)(F)F)c1=O ZINC000095391047 375428340 /nfs/dbraw/zinc/42/83/40/375428340.db2.gz BCVVSVMFBCZTSE-NSHDSACASA-N 1 1 288.313 2.742 50 0 CFAAMO Cn1cncc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000095406711 375433241 /nfs/dbraw/zinc/43/32/41/375433241.db2.gz PGVRVPUVTHFQKV-UHFFFAOYSA-N 1 1 259.328 2.724 50 0 CFAAMO Cn1cncc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000095406711 375433245 /nfs/dbraw/zinc/43/32/45/375433245.db2.gz PGVRVPUVTHFQKV-UHFFFAOYSA-N 1 1 259.328 2.724 50 0 CFAAMO OCCC[N@@H+](C[C@@H]1CCOC1)[C@H]1CCCc2ccccc21 ZINC000095408339 375434308 /nfs/dbraw/zinc/43/43/08/375434308.db2.gz DUTBPJDIUZHNRQ-YJBOKZPZSA-N 1 1 289.419 2.785 50 0 CFAAMO C[C@@H]1C[C@H](C)CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000095434897 375448448 /nfs/dbraw/zinc/44/84/48/375448448.db2.gz MFWHXWPFJOZKPR-KFWWJZLASA-N 1 1 293.455 2.548 50 0 CFAAMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(F)ccc1O ZINC000095443649 375451343 /nfs/dbraw/zinc/45/13/43/375451343.db2.gz LHRYEGYDDFEBOO-UHFFFAOYSA-N 1 1 291.326 2.880 50 0 CFAAMO CC(C)=CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449726 375453508 /nfs/dbraw/zinc/45/35/08/375453508.db2.gz JZNZEWNJPCSUBN-GOEBONIOSA-N 1 1 294.345 2.792 50 0 CFAAMO CC(C)=CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449726 375453510 /nfs/dbraw/zinc/45/35/10/375453510.db2.gz JZNZEWNJPCSUBN-GOEBONIOSA-N 1 1 294.345 2.792 50 0 CFAAMO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449725 375454114 /nfs/dbraw/zinc/45/41/14/375454114.db2.gz JZNZEWNJPCSUBN-GDBMZVCRSA-N 1 1 294.345 2.792 50 0 CFAAMO CC(C)=CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449725 375454119 /nfs/dbraw/zinc/45/41/19/375454119.db2.gz JZNZEWNJPCSUBN-GDBMZVCRSA-N 1 1 294.345 2.792 50 0 CFAAMO Cc1ccccc1-n1cnnc1SC[C@@H]1CC[N@H+](C)C1 ZINC000097165084 375535105 /nfs/dbraw/zinc/53/51/05/375535105.db2.gz LSZSPPOEFJNPDT-CYBMUJFWSA-N 1 1 288.420 2.620 50 0 CFAAMO Cn1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000097082146 375508426 /nfs/dbraw/zinc/50/84/26/375508426.db2.gz GMZNYPJBRUTMIJ-RYQLBKOJSA-N 1 1 296.418 2.743 50 0 CFAAMO Cc1ccsc1C[N@@H+]1CCCO[C@@H](CN2CCCC2)C1 ZINC000097088338 375513849 /nfs/dbraw/zinc/51/38/49/375513849.db2.gz FKPWRBDKLQMGEG-HNNXBMFYSA-N 1 1 294.464 2.743 50 0 CFAAMO Cc1ccsc1C[N@H+]1CCCO[C@@H](CN2CCCC2)C1 ZINC000097088338 375513854 /nfs/dbraw/zinc/51/38/54/375513854.db2.gz FKPWRBDKLQMGEG-HNNXBMFYSA-N 1 1 294.464 2.743 50 0 CFAAMO CC(C)(C)CCNc1ccc[nH+]c1N1CCC(O)CC1 ZINC000097103969 375519780 /nfs/dbraw/zinc/51/97/80/375519780.db2.gz SSVKFCNFJNJJPX-UHFFFAOYSA-N 1 1 277.412 2.891 50 0 CFAAMO Cn1c[nH+]cc1CCNc1ncnc2c3ccccc3oc21 ZINC000097108374 375520992 /nfs/dbraw/zinc/52/09/92/375520992.db2.gz CTHQWDFASBBGCA-UHFFFAOYSA-N 1 1 293.330 2.764 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@@H+](C)CCc1ccccn1 ZINC000097113727 375524424 /nfs/dbraw/zinc/52/44/24/375524424.db2.gz GESBRXFHCZYQQX-UHFFFAOYSA-N 1 1 283.375 2.715 50 0 CFAAMO C[N@@H+](Cc1ccncc1)Cc1ccc2c(c1)CCO2 ZINC000097113743 375524838 /nfs/dbraw/zinc/52/48/38/375524838.db2.gz CUKXKQYBVHFJFL-UHFFFAOYSA-N 1 1 254.333 2.649 50 0 CFAAMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000097378396 375557119 /nfs/dbraw/zinc/55/71/19/375557119.db2.gz XJUSOHYGKSKFPW-LBPRGKRZSA-N 1 1 277.393 2.615 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000097425681 375558448 /nfs/dbraw/zinc/55/84/48/375558448.db2.gz SLOLPXGMPAFNJL-QGZVFWFLSA-N 1 1 299.418 2.632 50 0 CFAAMO Cc1ccc([C@@H](C)CC[N@H+](C)Cc2nnc(C)o2)o1 ZINC000097729658 375582372 /nfs/dbraw/zinc/58/23/72/375582372.db2.gz GALBFGYXEAYGLQ-JTQLQIEISA-N 1 1 263.341 2.905 50 0 CFAAMO Cc1ccc([C@@H](C)CC[N@@H+](C)Cc2nnc(C)o2)o1 ZINC000097729658 375582377 /nfs/dbraw/zinc/58/23/77/375582377.db2.gz GALBFGYXEAYGLQ-JTQLQIEISA-N 1 1 263.341 2.905 50 0 CFAAMO Cc1n[nH]c(CN2CCC[N@H+](C3CCCC3)CC2)c1Cl ZINC000097766517 375584686 /nfs/dbraw/zinc/58/46/86/375584686.db2.gz CWBVPWFHQYAQEJ-UHFFFAOYSA-N 1 1 296.846 2.822 50 0 CFAAMO C[C@H](CNC(=O)Nc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000111418848 375846956 /nfs/dbraw/zinc/84/69/56/375846956.db2.gz ODZVUSKBGDDZPP-CQSZACIVSA-N 1 1 298.390 2.724 50 0 CFAAMO Cn1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cn1 ZINC000119731556 376461472 /nfs/dbraw/zinc/46/14/72/376461472.db2.gz SDWUEAJQPODQQD-UHFFFAOYSA-N 1 1 254.337 2.533 50 0 CFAAMO C[N@@H+](CC[C@H]1CCCCO1)CC(=O)Nc1cccc(F)c1 ZINC000170594600 379122089 /nfs/dbraw/zinc/12/20/89/379122089.db2.gz PFRFZHAGFICVMS-OAHLLOKOSA-N 1 1 294.370 2.655 50 0 CFAAMO CCN(C(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC000170631153 379131025 /nfs/dbraw/zinc/13/10/25/379131025.db2.gz RFUKKFHNOLOTFL-KBPBESRZSA-N 1 1 298.496 2.993 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC2CCOCC2)cc1F ZINC000172007373 379467978 /nfs/dbraw/zinc/46/79/78/379467978.db2.gz CIURYDKFZPMHIX-UHFFFAOYSA-N 1 1 267.344 2.693 50 0 CFAAMO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccccc1F ZINC000049587068 412947576 /nfs/dbraw/zinc/94/75/76/412947576.db2.gz ZEBNLQPPBSWKJN-GFCCVEGCSA-N 1 1 290.338 2.728 50 0 CFAAMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccccc1 ZINC000350670899 382014904 /nfs/dbraw/zinc/01/49/04/382014904.db2.gz UZODWFXRQJPZBJ-STQMWFEESA-N 1 1 296.361 2.839 50 0 CFAAMO CNc1nc(C[NH+]2CCC(CSC)CC2)cs1 ZINC000299787880 382048622 /nfs/dbraw/zinc/04/86/22/382048622.db2.gz YLFJVNRBKUCMLC-UHFFFAOYSA-N 1 1 271.455 2.760 50 0 CFAAMO CN(C/C=C/c1ccc(F)cc1)C[C@H]1CCC[N@H+]1C ZINC000421412207 382526375 /nfs/dbraw/zinc/52/63/75/382526375.db2.gz RWIVYTYPEMDYAR-LLCTXKFZSA-N 1 1 262.372 2.865 50 0 CFAAMO CC[C@H](O)C[N@@H+](C)C[C@@H]1CCCc2sc(C)nc21 ZINC000366597776 382528765 /nfs/dbraw/zinc/52/87/65/382528765.db2.gz VHGAVNIEMWQCGU-RYUDHWBXSA-N 1 1 268.426 2.574 50 0 CFAAMO C[C@H]([NH2+][C@@H]1CCSC1)c1nc(Cc2ccccc2)no1 ZINC000191600141 382701499 /nfs/dbraw/zinc/70/14/99/382701499.db2.gz BUTUQNIBDJTDGL-WCQYABFASA-N 1 1 289.404 2.817 50 0 CFAAMO C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000192973530 382714189 /nfs/dbraw/zinc/71/41/89/382714189.db2.gz INVMYADMEPOTCW-BFMMAWNYSA-N 1 1 265.422 2.789 50 0 CFAAMO Cc1occc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193804474 382726067 /nfs/dbraw/zinc/72/60/67/382726067.db2.gz WOQGUHQPUKEUCQ-INIZCTEOSA-N 1 1 298.386 2.840 50 0 CFAAMO CCC[N@H+](Cc1nnc(C)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000195530725 382769089 /nfs/dbraw/zinc/76/90/89/382769089.db2.gz RMAFSFASDYYPIG-CHWSQXEVSA-N 1 1 281.400 2.794 50 0 CFAAMO CCC[N@@H+](Cc1nnc(C)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000195530725 382769091 /nfs/dbraw/zinc/76/90/91/382769091.db2.gz RMAFSFASDYYPIG-CHWSQXEVSA-N 1 1 281.400 2.794 50 0 CFAAMO Cn1cncc1C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000215325033 382778464 /nfs/dbraw/zinc/77/84/64/382778464.db2.gz CCVNKWJUMBWHRB-UHFFFAOYSA-N 1 1 266.348 2.600 50 0 CFAAMO Cn1cncc1C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000215325033 382778466 /nfs/dbraw/zinc/77/84/66/382778466.db2.gz CCVNKWJUMBWHRB-UHFFFAOYSA-N 1 1 266.348 2.600 50 0 CFAAMO C[N@@H+](CCn1ccnc1)Cc1ccc([C@H]2CCCO2)s1 ZINC000215456122 382779181 /nfs/dbraw/zinc/77/91/81/382779181.db2.gz ZABCCFDRORCGFE-CQSZACIVSA-N 1 1 291.420 2.928 50 0 CFAAMO Cc1cc(C[N@H+]2CCCC[C@H]2CCn2cccn2)on1 ZINC000215490061 382779238 /nfs/dbraw/zinc/77/92/38/382779238.db2.gz IEHUWKAQKZWKAS-AWEZNQCLSA-N 1 1 274.368 2.624 50 0 CFAAMO COc1cc2c(cc1C[N@@H+](C)CCSC)OCCCO2 ZINC000215539540 382779305 /nfs/dbraw/zinc/77/93/05/382779305.db2.gz RPCOJEJTPNCIDK-UHFFFAOYSA-N 1 1 297.420 2.651 50 0 CFAAMO CCCn1ccnc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000215807877 382780896 /nfs/dbraw/zinc/78/08/96/382780896.db2.gz KCKBLWTWUVTPAM-UHFFFAOYSA-N 1 1 269.392 2.892 50 0 CFAAMO Cc1cccc(CNC(=O)C[C@@H]2CCCC[N@@H+]2C)c1C ZINC000215950109 382781355 /nfs/dbraw/zinc/78/13/55/382781355.db2.gz DLURQGUFRVQFBQ-INIZCTEOSA-N 1 1 274.408 2.794 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1CO ZINC000215920527 382781400 /nfs/dbraw/zinc/78/14/00/382781400.db2.gz YFLWAEYSNZNBQP-MRXNPFEDSA-N 1 1 293.407 2.579 50 0 CFAAMO Cn1ccc2cc(C[N@@H+](C)CCn3cccn3)ccc21 ZINC000216509958 382783409 /nfs/dbraw/zinc/78/34/09/382783409.db2.gz ZLTPLQMFSKTLQT-UHFFFAOYSA-N 1 1 268.364 2.507 50 0 CFAAMO CC(=O)N[C@@H]1CCC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000221699299 382799244 /nfs/dbraw/zinc/79/92/44/382799244.db2.gz COQNRXLDRBOVKO-VWILAXROSA-N 1 1 272.392 2.690 50 0 CFAAMO Cc1ccc(-c2n[nH]cc2CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000221869233 382799852 /nfs/dbraw/zinc/79/98/52/382799852.db2.gz RMTOIAKLZVQARC-BBRMVZONSA-N 1 1 284.407 2.554 50 0 CFAAMO C[C@@H](C[N@H+]1CC[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000221919800 382800415 /nfs/dbraw/zinc/80/04/15/382800415.db2.gz MMFRHRRTGDGTNL-NWDGAFQWSA-N 1 1 253.773 2.758 50 0 CFAAMO CCc1[nH+]ccn1CCNC(=O)c1ccc(F)c(Cl)c1 ZINC000222332435 382801705 /nfs/dbraw/zinc/80/17/05/382801705.db2.gz IATZYUBBFVPEGU-UHFFFAOYSA-N 1 1 295.745 2.668 50 0 CFAAMO CCc1ccc(C(=O)NCCCn2cc[nH+]c2C(C)C)[nH]1 ZINC000223738244 382806589 /nfs/dbraw/zinc/80/65/89/382806589.db2.gz FXAKLDXSEOBNKY-UHFFFAOYSA-N 1 1 288.395 2.717 50 0 CFAAMO Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000225250261 382813566 /nfs/dbraw/zinc/81/35/66/382813566.db2.gz LJCQJMNXAZJMSS-BHYGNILZSA-N 1 1 299.418 2.943 50 0 CFAAMO Fc1cc(Cl)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000225450375 382816341 /nfs/dbraw/zinc/81/63/41/382816341.db2.gz ZLWDEVVZTUYASV-UHFFFAOYSA-N 1 1 294.761 2.977 50 0 CFAAMO COc1ccc(C[C@@H]2CCC[N@@H+](CCn3ccnc3)C2)cc1 ZINC000225530238 382817853 /nfs/dbraw/zinc/81/78/53/382817853.db2.gz NNCBVKZLMGAEES-KRWDZBQOSA-N 1 1 299.418 2.846 50 0 CFAAMO FC(F)Cn1ncnc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000225614115 382819331 /nfs/dbraw/zinc/81/93/31/382819331.db2.gz FRUIYOVYNJFQKA-ZDUSSCGKSA-N 1 1 292.333 2.533 50 0 CFAAMO FC(F)Cn1ncnc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000225614115 382819334 /nfs/dbraw/zinc/81/93/34/382819334.db2.gz FRUIYOVYNJFQKA-ZDUSSCGKSA-N 1 1 292.333 2.533 50 0 CFAAMO C[N@@H+](CCCCC1CCOCC1)CC1CCOCC1 ZINC000225628209 382819450 /nfs/dbraw/zinc/81/94/50/382819450.db2.gz VIYCUBGEQNPEOZ-UHFFFAOYSA-N 1 1 269.429 2.942 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC000229405606 382851502 /nfs/dbraw/zinc/85/15/02/382851502.db2.gz WIKKCNHOYZSCNF-DZGCQCFKSA-N 1 1 284.359 2.845 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)s1 ZINC000229384914 382851551 /nfs/dbraw/zinc/85/15/51/382851551.db2.gz VGTJFXIKZYBXKU-UWVGGRQHSA-N 1 1 284.812 2.758 50 0 CFAAMO CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720099 382853226 /nfs/dbraw/zinc/85/32/26/382853226.db2.gz BTRGSDZEZVINML-GOEBONIOSA-N 1 1 274.408 2.733 50 0 CFAAMO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H](C)c1ncn(C)n1 ZINC000421843619 382943119 /nfs/dbraw/zinc/94/31/19/382943119.db2.gz QYGBLYSFHYMEFA-NXEZZACHSA-N 1 1 296.777 2.889 50 0 CFAAMO CC(C)(COCc1ccccc1)[NH2+]Cc1ncccn1 ZINC000239367151 382981243 /nfs/dbraw/zinc/98/12/43/382981243.db2.gz AHTGTTZYHGXGJV-UHFFFAOYSA-N 1 1 271.364 2.562 50 0 CFAAMO CCCC[N@H+]1CCN(C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000239475388 382981514 /nfs/dbraw/zinc/98/15/14/382981514.db2.gz ANXDHFAREHYFSO-RDJZCZTQSA-N 1 1 276.424 2.526 50 0 CFAAMO COCc1cccc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)c1 ZINC000242339307 382985728 /nfs/dbraw/zinc/98/57/28/382985728.db2.gz ZGRSCPDOJLDMJB-RHSMWYFYSA-N 1 1 277.408 2.816 50 0 CFAAMO CC[NH+](CC)C[C@H](N[C@H]1CCO[C@H]1C)c1ccccc1 ZINC000242178833 382985779 /nfs/dbraw/zinc/98/57/79/382985779.db2.gz XBGBABYWGPVGGP-XIRDDKMYSA-N 1 1 276.424 2.837 50 0 CFAAMO Clc1ccccc1[C@H]1CCC[N@H+]1CCn1cncn1 ZINC000242191410 382985848 /nfs/dbraw/zinc/98/58/48/382985848.db2.gz XFHWMJWTOTYZRI-CQSZACIVSA-N 1 1 276.771 2.769 50 0 CFAAMO CC[N@H+](C)C(C)(C)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000244659750 382989903 /nfs/dbraw/zinc/98/99/03/382989903.db2.gz HIBGKMDNNQPEAG-UHFFFAOYSA-N 1 1 284.787 2.506 50 0 CFAAMO CC[N@@H+](C)C(C)(C)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000244659750 382989907 /nfs/dbraw/zinc/98/99/07/382989907.db2.gz HIBGKMDNNQPEAG-UHFFFAOYSA-N 1 1 284.787 2.506 50 0 CFAAMO Cc1ccc2[nH]c(CN3CC([N@@H+]4CCCC[C@@H]4C)C3)nc2c1 ZINC000244691714 382989967 /nfs/dbraw/zinc/98/99/67/382989967.db2.gz JHYKSOZYIJFTBV-AWEZNQCLSA-N 1 1 298.434 2.930 50 0 CFAAMO Cc1ccc2nc(CN3CC([N@H+]4CCCC[C@@H]4C)C3)[nH]c2c1 ZINC000244691714 382989971 /nfs/dbraw/zinc/98/99/71/382989971.db2.gz JHYKSOZYIJFTBV-AWEZNQCLSA-N 1 1 298.434 2.930 50 0 CFAAMO Cc1ccc2nc(CN3CC([N@@H+]4CCCC[C@@H]4C)C3)[nH]c2c1 ZINC000244691714 382989973 /nfs/dbraw/zinc/98/99/73/382989973.db2.gz JHYKSOZYIJFTBV-AWEZNQCLSA-N 1 1 298.434 2.930 50 0 CFAAMO CC(C)Cc1noc(C[N@H+](C)CCCc2cccnc2)n1 ZINC000244700894 382990738 /nfs/dbraw/zinc/99/07/38/382990738.db2.gz JVWCHJBSAXOUDG-UHFFFAOYSA-N 1 1 288.395 2.728 50 0 CFAAMO CC(C)Cc1noc(C[N@@H+](C)CCCc2cccnc2)n1 ZINC000244700894 382990743 /nfs/dbraw/zinc/99/07/43/382990743.db2.gz JVWCHJBSAXOUDG-UHFFFAOYSA-N 1 1 288.395 2.728 50 0 CFAAMO Cc1nc(CN(C)C[C@]2(c3ccccc3)CC2(C)C)n[nH]1 ZINC000244795785 382993470 /nfs/dbraw/zinc/99/34/70/382993470.db2.gz RNORZTQCRGSCIV-KRWDZBQOSA-N 1 1 284.407 2.913 50 0 CFAAMO Cc1nnc(C[N@@H+](C)C[C@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000244795785 382993472 /nfs/dbraw/zinc/99/34/72/382993472.db2.gz RNORZTQCRGSCIV-KRWDZBQOSA-N 1 1 284.407 2.913 50 0 CFAAMO Cc1nnc(C[N@H+](C)C[C@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000244795785 382993475 /nfs/dbraw/zinc/99/34/75/382993475.db2.gz RNORZTQCRGSCIV-KRWDZBQOSA-N 1 1 284.407 2.913 50 0 CFAAMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000248144314 383214781 /nfs/dbraw/zinc/21/47/81/383214781.db2.gz RGBQDYQEZUMJJX-ZNMIVQPWSA-N 1 1 292.810 2.654 50 0 CFAAMO C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000248151294 383214533 /nfs/dbraw/zinc/21/45/33/383214533.db2.gz BJSMNHLRNRSLEO-RDJZCZTQSA-N 1 1 284.407 2.764 50 0 CFAAMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000247347379 383165680 /nfs/dbraw/zinc/16/56/80/383165680.db2.gz OPVYHCXHJDUILO-JQWIXIFHSA-N 1 1 295.333 2.665 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000248159012 383216105 /nfs/dbraw/zinc/21/61/05/383216105.db2.gz WSNYOBKLCDTYEX-HUUCEWRRSA-N 1 1 264.413 2.652 50 0 CFAAMO CCc1ccc(CN(C)CC[N@H+]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000252502432 383415182 /nfs/dbraw/zinc/41/51/82/383415182.db2.gz UQGPLWLEHFRRKP-DOTOQJQBSA-N 1 1 273.424 2.560 50 0 CFAAMO Cc1cccc2nc(CN(C)C[C@@H](C)[NH+]3CCCC3)[nH]c21 ZINC000252502234 383415504 /nfs/dbraw/zinc/41/55/04/383415504.db2.gz UNXQWQAKHQFWJX-CQSZACIVSA-N 1 1 286.423 2.787 50 0 CFAAMO COCc1n[nH]c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000426431791 383400155 /nfs/dbraw/zinc/40/01/55/383400155.db2.gz JLJQYLWNKUCFLS-LBPRGKRZSA-N 1 1 286.379 2.775 50 0 CFAAMO C[C@@H](c1ccc(-c2nc(CO)n[nH]2)cc1)[NH+]1CCCCC1 ZINC000426746338 383411116 /nfs/dbraw/zinc/41/11/16/383411116.db2.gz SLEVBZVYIMVZPT-LBPRGKRZSA-N 1 1 286.379 2.511 50 0 CFAAMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)C1CC1)CC2 ZINC000252487609 383412963 /nfs/dbraw/zinc/41/29/63/383412963.db2.gz ZJPFLTIUBQBMDJ-IMJJTQAJSA-N 1 1 293.455 2.689 50 0 CFAAMO CCN1CC[N@@H+](CCSC(C)(C)C)C[C@@H]1c1ncc[nH]1 ZINC000252497967 383414021 /nfs/dbraw/zinc/41/40/21/383414021.db2.gz QSOMFRBIPUENDK-CYBMUJFWSA-N 1 1 296.484 2.620 50 0 CFAAMO Clc1cc(N2CC[N@H+]3CCCC[C@H]3C2)nc2[nH]ccc21 ZINC000252497828 383414130 /nfs/dbraw/zinc/41/41/30/383414130.db2.gz BHQGOEHACDRTQK-NSHDSACASA-N 1 1 290.798 2.891 50 0 CFAAMO Cc1nccn1CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000252499204 383414138 /nfs/dbraw/zinc/41/41/38/383414138.db2.gz RWYNFCWGZFGTDV-MRXNPFEDSA-N 1 1 270.380 2.814 50 0 CFAAMO Clc1cnccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250186257 383372861 /nfs/dbraw/zinc/37/28/61/383372861.db2.gz STLKZQAMSGBZTP-QWRGUYRKSA-N 1 1 251.761 2.774 50 0 CFAAMO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252512799 383416760 /nfs/dbraw/zinc/41/67/60/383416760.db2.gz VUBIDVFFVQAHLR-JKSUJKDBSA-N 1 1 295.448 2.701 50 0 CFAAMO CCc1nsc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000253431346 383459812 /nfs/dbraw/zinc/45/98/12/383459812.db2.gz ZRXBKFJISWOBID-DGCLKSJQSA-N 1 1 292.452 2.554 50 0 CFAAMO Cc1cnc([C@H](C)[N@H+]2CC[C@H](OCCC(C)C)C2)cn1 ZINC000253432544 383459968 /nfs/dbraw/zinc/45/99/68/383459968.db2.gz LCSKXBGOKYRJNK-GJZGRUSLSA-N 1 1 277.412 2.983 50 0 CFAAMO COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2CC(OC)OC)cc1 ZINC000252540060 383417534 /nfs/dbraw/zinc/41/75/34/383417534.db2.gz ORUILKNKMRCGHV-WFASDCNBSA-N 1 1 279.380 2.697 50 0 CFAAMO C[C@H](C[S@](C)=O)[N@@H+](C)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252549036 383420211 /nfs/dbraw/zinc/42/02/11/383420211.db2.gz QQBHOFARDQATET-AHHJTMGVSA-N 1 1 285.375 2.806 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2C)CC[N@@H+](C)[C@H]1C ZINC000255963355 383488301 /nfs/dbraw/zinc/48/83/01/383488301.db2.gz AVJHHMSHPYWQSR-BBRMVZONSA-N 1 1 261.365 2.868 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)C3CCC3)C2)n1C1CC1 ZINC000257176893 383489784 /nfs/dbraw/zinc/48/97/84/383489784.db2.gz DCDVTNINWUKZFN-CYBMUJFWSA-N 1 1 287.407 2.718 50 0 CFAAMO COc1ccc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)cn1 ZINC000436255149 383793550 /nfs/dbraw/zinc/79/35/50/383793550.db2.gz WIEJMSYRZYHRJC-UHFFFAOYSA-N 1 1 282.347 2.565 50 0 CFAAMO CC1=CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000270096376 384975884 /nfs/dbraw/zinc/97/58/84/384975884.db2.gz LHWPQXFFKRCXKD-KRWDZBQOSA-N 1 1 284.403 2.830 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)nn1 ZINC000283021624 385424450 /nfs/dbraw/zinc/42/44/50/385424450.db2.gz GXDFJFAOWFCMRQ-CJNGLKHVSA-N 1 1 283.375 2.863 50 0 CFAAMO Cc1ccccc1[C@H](C(=O)NCc1ccc(O)cc1)[NH+](C)C ZINC000095391316 184964175 /nfs/dbraw/zinc/96/41/75/184964175.db2.gz WITWCCJBHVXSBQ-QGZVFWFLSA-N 1 1 298.386 2.620 50 0 CFAAMO COc1cccc(NC(=O)C[N@@H+](C)C2CCCCC2)c1 ZINC000007786525 533600672 /nfs/dbraw/zinc/60/06/72/533600672.db2.gz GMPSWCTYLZJBSU-UHFFFAOYSA-N 1 1 276.380 2.898 50 0 CFAAMO CC(=O)Nc1ccc(C[N@H+](Cc2cnn(C)c2)C2CC2)cc1 ZINC000065529407 393630642 /nfs/dbraw/zinc/63/06/42/393630642.db2.gz QZAFPKVCVGTTPB-UHFFFAOYSA-N 1 1 298.390 2.543 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)no1 ZINC000230228838 393778675 /nfs/dbraw/zinc/77/86/75/393778675.db2.gz GCZRYGRNJSGZAR-QWHCGFSZSA-N 1 1 277.368 2.576 50 0 CFAAMO CCn1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2SC)cn1 ZINC000093869487 393804744 /nfs/dbraw/zinc/80/47/44/393804744.db2.gz OBZYOCOVFBWAQX-OLZOCXBDSA-N 1 1 253.415 2.619 50 0 CFAAMO Fc1cccc(F)c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093820757 393804940 /nfs/dbraw/zinc/80/49/40/393804940.db2.gz NLLHEIQIMWKRFH-AWEZNQCLSA-N 1 1 253.292 2.577 50 0 CFAAMO c1ccc(C[N@@H+]2CCO[C@H](c3cccnc3)C2)cc1 ZINC000096341561 393819076 /nfs/dbraw/zinc/81/90/76/393819076.db2.gz XWJXHUZDXHRUKE-INIZCTEOSA-N 1 1 254.333 2.655 50 0 CFAAMO c1ccc(C[N@H+]2CCO[C@H](c3cccnc3)C2)cc1 ZINC000096341561 393819080 /nfs/dbraw/zinc/81/90/80/393819080.db2.gz XWJXHUZDXHRUKE-INIZCTEOSA-N 1 1 254.333 2.655 50 0 CFAAMO CCc1ccc([C@@H]2CCCCC[N@@H+]2CCS(C)(=O)=O)o1 ZINC000096417458 393825861 /nfs/dbraw/zinc/82/58/61/393825861.db2.gz YXDPPWQCDOSDDN-AWEZNQCLSA-N 1 1 299.436 2.804 50 0 CFAAMO CCc1ccc([C@@H]2CCCCC[N@H+]2CCS(C)(=O)=O)o1 ZINC000096417458 393825863 /nfs/dbraw/zinc/82/58/63/393825863.db2.gz YXDPPWQCDOSDDN-AWEZNQCLSA-N 1 1 299.436 2.804 50 0 CFAAMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000096424702 393829496 /nfs/dbraw/zinc/82/94/96/393829496.db2.gz VRLDIEKJAWJMLI-QWHCGFSZSA-N 1 1 268.788 2.860 50 0 CFAAMO CCC[N@@H+](C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000115538140 393905077 /nfs/dbraw/zinc/90/50/77/393905077.db2.gz WMVQAGGYLJQQBY-AWEZNQCLSA-N 1 1 264.344 2.663 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cnccn2)C1 ZINC000097047825 393840220 /nfs/dbraw/zinc/84/02/20/393840220.db2.gz PAVPJDFTOOKOFZ-GJZGRUSLSA-N 1 1 274.412 2.567 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470308 394004604 /nfs/dbraw/zinc/00/46/04/394004604.db2.gz IUVKFZVETVUELB-UONOGXRCSA-N 1 1 292.402 2.707 50 0 CFAAMO C[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)s2)CCS1 ZINC000276989897 394053583 /nfs/dbraw/zinc/05/35/83/394053583.db2.gz GQAASOJGCQVSCY-SNVBAGLBSA-N 1 1 271.455 2.537 50 0 CFAAMO c1ccc(N2CCC[N@H+](CC[C@H]3CCOC3)CC2)cc1 ZINC000437686641 394068674 /nfs/dbraw/zinc/06/86/74/394068674.db2.gz MUZALGORWIAPIX-INIZCTEOSA-N 1 1 274.408 2.625 50 0 CFAAMO Fc1cccnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000084482345 135033774 /nfs/dbraw/zinc/03/37/74/135033774.db2.gz JKUXRWGDTVRHAX-UHFFFAOYSA-N 1 1 271.339 2.543 50 0 CFAAMO Cc1nc(N)cc(N2CCC[C@@H](OCc3ccccc3)C2)[nH+]1 ZINC000091872295 135074007 /nfs/dbraw/zinc/07/40/07/135074007.db2.gz XLAGHRBBKXDCNV-OAHLLOKOSA-N 1 1 298.390 2.553 50 0 CFAAMO CC(=O)N1CCC(CNc2[nH+]ccc3ccccc32)CC1 ZINC000527889367 394421821 /nfs/dbraw/zinc/42/18/21/394421821.db2.gz YGKVKSNPGIVXIQ-UHFFFAOYSA-N 1 1 283.375 2.905 50 0 CFAAMO COc1cccc2ccc(N(C)C[C@H]3CCC[N@H+]3C)nc21 ZINC000824804975 781997777 /nfs/dbraw/zinc/99/77/77/781997777.db2.gz JBJSDRMETPIHPC-CQSZACIVSA-N 1 1 285.391 2.774 50 0 CFAAMO COc1ncc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cn1 ZINC000824851762 781998700 /nfs/dbraw/zinc/99/87/00/781998700.db2.gz DCJPCIVWRRXSSW-MRXNPFEDSA-N 1 1 283.375 2.995 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1ccccc1 ZINC000046859048 397582771 /nfs/dbraw/zinc/58/27/71/397582771.db2.gz HXCVEZBIHDIILG-AUECHBEKSA-N 1 1 272.392 2.690 50 0 CFAAMO COc1ccc([C@@H]2[C@H](CNc3ncccn3)CC[N@H+]2C)cc1 ZINC000108081294 397597828 /nfs/dbraw/zinc/59/78/28/397597828.db2.gz PJPATEZLAMSCFC-GOEBONIOSA-N 1 1 298.390 2.590 50 0 CFAAMO C[N@H+](CCn1cccn1)Cc1cnc(C2CCCCC2)nc1 ZINC000215148590 397619133 /nfs/dbraw/zinc/61/91/33/397619133.db2.gz PAQILZMXIVRIEC-UHFFFAOYSA-N 1 1 299.422 2.853 50 0 CFAAMO C[N@@H+](CCn1cccn1)Cc1cnc(C2CCCCC2)nc1 ZINC000215148590 397619134 /nfs/dbraw/zinc/61/91/34/397619134.db2.gz PAQILZMXIVRIEC-UHFFFAOYSA-N 1 1 299.422 2.853 50 0 CFAAMO Cc1ccc([C@H](C(=O)N2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000091818767 292239053 /nfs/dbraw/zinc/23/90/53/292239053.db2.gz YNCIZLVTXZERMQ-CQSZACIVSA-N 1 1 296.361 2.855 50 0 CFAAMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000004723240 170005518 /nfs/dbraw/zinc/00/55/18/170005518.db2.gz MLOHPDFHPUZMAS-KRWDZBQOSA-N 1 1 286.419 2.911 50 0 CFAAMO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000004745142 170010463 /nfs/dbraw/zinc/01/04/63/170010463.db2.gz MMRYDGYIJPUMII-KRWDZBQOSA-N 1 1 286.419 2.829 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000004746281 170010865 /nfs/dbraw/zinc/01/08/65/170010865.db2.gz OCFZAUQTDLXNAE-QGZVFWFLSA-N 1 1 286.419 2.829 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000004819553 170022397 /nfs/dbraw/zinc/02/23/97/170022397.db2.gz GFAYJYKJRJTUCY-UHFFFAOYSA-N 1 1 287.190 2.771 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004834857 170026522 /nfs/dbraw/zinc/02/65/22/170026522.db2.gz JBXDCVZZZNLFSO-GJZGRUSLSA-N 1 1 295.448 2.889 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004834857 170026525 /nfs/dbraw/zinc/02/65/25/170026525.db2.gz JBXDCVZZZNLFSO-GJZGRUSLSA-N 1 1 295.448 2.889 50 0 CFAAMO COc1cccc(C=O)c1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000004870272 170034689 /nfs/dbraw/zinc/03/46/89/170034689.db2.gz YQYKMDDGMPMRAN-CYBMUJFWSA-N 1 1 277.364 2.618 50 0 CFAAMO C[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000004985452 170048985 /nfs/dbraw/zinc/04/89/85/170048985.db2.gz SXVXYEYERARMLE-UHFFFAOYSA-N 1 1 272.314 2.889 50 0 CFAAMO COc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000005674913 170126667 /nfs/dbraw/zinc/12/66/67/170126667.db2.gz KFRQZJPGDZKWDM-OAHLLOKOSA-N 1 1 293.407 2.699 50 0 CFAAMO COc1ccc2nc(SCC[NH+]3CCCC3)[nH]c2c1 ZINC000005687040 170128791 /nfs/dbraw/zinc/12/87/91/170128791.db2.gz IXUIWLWVLVGRSF-UHFFFAOYSA-N 1 1 277.393 2.759 50 0 CFAAMO COc1ccc(NC(=O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000006601985 170218441 /nfs/dbraw/zinc/21/84/41/170218441.db2.gz USXLCBLCRXSAQG-UHFFFAOYSA-N 1 1 292.379 2.518 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000006702447 170229835 /nfs/dbraw/zinc/22/98/35/170229835.db2.gz OEAFBQXHXIYMAR-OAHLLOKOSA-N 1 1 291.391 2.649 50 0 CFAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C)CC1 ZINC000007446828 170285333 /nfs/dbraw/zinc/28/53/33/170285333.db2.gz ZOGFBLHOVYOLOR-GFCCVEGCSA-N 1 1 271.364 2.716 50 0 CFAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N)c2c1C ZINC000008037164 170315478 /nfs/dbraw/zinc/31/54/78/170315478.db2.gz QQDNEYKUNIECEO-UHFFFAOYSA-N 1 1 276.409 2.707 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCCC1 ZINC000008142219 170321279 /nfs/dbraw/zinc/32/12/79/170321279.db2.gz LEGMRIRHIOHHNX-JTQLQIEISA-N 1 1 252.745 2.763 50 0 CFAAMO COc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000008185872 170323557 /nfs/dbraw/zinc/32/35/57/170323557.db2.gz KTRRCAWFVHSXAM-UHFFFAOYSA-N 1 1 298.386 2.808 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)cc1 ZINC000008342622 170332310 /nfs/dbraw/zinc/33/23/10/170332310.db2.gz LULGZIAYVGAVAD-CYBMUJFWSA-N 1 1 281.787 2.946 50 0 CFAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1 ZINC000008402479 170334833 /nfs/dbraw/zinc/33/48/33/170334833.db2.gz YYKCWODRYLQPDB-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1 ZINC000008402479 170334834 /nfs/dbraw/zinc/33/48/34/170334834.db2.gz YYKCWODRYLQPDB-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCCC1 ZINC000010030056 170395811 /nfs/dbraw/zinc/39/58/11/170395811.db2.gz MNJAKHARHNEXGV-SNVBAGLBSA-N 1 1 282.771 2.771 50 0 CFAAMO CSCCC[N@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000020211310 171074971 /nfs/dbraw/zinc/07/49/71/171074971.db2.gz CDXRVSQXZHYJFC-OAHLLOKOSA-N 1 1 283.412 2.822 50 0 CFAAMO Cc1noc2ncnc(NCCC[N@@H+]3CCCC[C@@H]3C)c12 ZINC000020575200 171256055 /nfs/dbraw/zinc/25/60/55/171256055.db2.gz BWGWQKIHMARRLH-NSHDSACASA-N 1 1 289.383 2.603 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)C[C@@H](C)Oc2ccccc2)n1 ZINC000020601547 171266892 /nfs/dbraw/zinc/26/68/92/171266892.db2.gz JIEOCSXJJWKSTL-CYBMUJFWSA-N 1 1 259.353 2.617 50 0 CFAAMO Cc1c[nH]c(C[N@H+](C)C[C@@H](C)Oc2ccccc2)n1 ZINC000020601547 171266894 /nfs/dbraw/zinc/26/68/94/171266894.db2.gz JIEOCSXJJWKSTL-CYBMUJFWSA-N 1 1 259.353 2.617 50 0 CFAAMO O[C@@H]1CC[N@@H+](CCc2ccc(-c3ccccc3)cc2)C1 ZINC000020706807 171269897 /nfs/dbraw/zinc/26/98/97/171269897.db2.gz XPGWZJHRLUGYAO-GOSISDBHSA-N 1 1 267.372 2.963 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000021782677 171322318 /nfs/dbraw/zinc/32/23/18/171322318.db2.gz RNYZUDDFIJIKGM-GFCCVEGCSA-N 1 1 257.337 2.969 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@@H](C)C1 ZINC000022779599 171398618 /nfs/dbraw/zinc/39/86/18/171398618.db2.gz DJQARZCZCLCJFV-BBRMVZONSA-N 1 1 261.365 2.949 50 0 CFAAMO CCOc1ccccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408274 173185269 /nfs/dbraw/zinc/18/52/69/173185269.db2.gz WIAWXSHDOYSPBN-AWEZNQCLSA-N 1 1 274.408 2.659 50 0 CFAAMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cccc2c1OC(F)(F)O2 ZINC000655499797 414302272 /nfs/dbraw/zinc/30/22/72/414302272.db2.gz QHQDTCUDAQAZED-VIFPVBQESA-N 1 1 296.273 2.879 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1ccccc1Cl ZINC000039975627 174180333 /nfs/dbraw/zinc/18/03/33/174180333.db2.gz YSQQIHAHZQWISG-AWEZNQCLSA-N 1 1 294.826 2.873 50 0 CFAAMO CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040025527 174183809 /nfs/dbraw/zinc/18/38/09/174183809.db2.gz MXGQWJRJHUNGTL-OAHLLOKOSA-N 1 1 274.408 2.813 50 0 CFAAMO CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000040067120 174186422 /nfs/dbraw/zinc/18/64/22/174186422.db2.gz RNNIJCPHFZNFKB-ZDUSSCGKSA-N 1 1 266.772 2.613 50 0 CFAAMO CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000040067120 174186424 /nfs/dbraw/zinc/18/64/24/174186424.db2.gz RNNIJCPHFZNFKB-ZDUSSCGKSA-N 1 1 266.772 2.613 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NCc1ccco1 ZINC000040105870 174191571 /nfs/dbraw/zinc/19/15/71/174191571.db2.gz OHSUENULYHBYOP-CQSZACIVSA-N 1 1 290.388 2.794 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NCc1ccco1 ZINC000040105870 174191573 /nfs/dbraw/zinc/19/15/73/174191573.db2.gz OHSUENULYHBYOP-CQSZACIVSA-N 1 1 290.388 2.794 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(F)cc2)cn1 ZINC000040539035 174321841 /nfs/dbraw/zinc/32/18/41/174321841.db2.gz AVEHYWKJTHVPLC-UHFFFAOYSA-N 1 1 296.305 2.967 50 0 CFAAMO OCC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000044937911 175281953 /nfs/dbraw/zinc/28/19/53/175281953.db2.gz FPFOQGHJBGSNRX-UHFFFAOYSA-N 1 1 278.377 2.607 50 0 CFAAMO CCC[C@@H](C)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045943610 175387402 /nfs/dbraw/zinc/38/74/02/175387402.db2.gz CLDAGOJUBBAKRX-LLVKDONJSA-N 1 1 260.341 2.752 50 0 CFAAMO Cc1ccsc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000046858655 175399855 /nfs/dbraw/zinc/39/98/55/175399855.db2.gz OEKNSUOTNNUOII-LBPRGKRZSA-N 1 1 266.410 2.661 50 0 CFAAMO CCc1[nH+]ccn1Cc1nc(-c2cccc(F)c2)no1 ZINC000065224659 175704696 /nfs/dbraw/zinc/70/46/96/175704696.db2.gz DIHFHKJEVTYEQW-UHFFFAOYSA-N 1 1 272.283 2.683 50 0 CFAAMO C/C=C(\C)C[N@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000065495780 175743987 /nfs/dbraw/zinc/74/39/87/175743987.db2.gz UXWMCYDMGSNYLF-RNSFGAQFSA-N 1 1 266.429 2.529 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)o1 ZINC000069455517 175831557 /nfs/dbraw/zinc/83/15/57/175831557.db2.gz RCZGJLQXXAMNCH-UONOGXRCSA-N 1 1 276.380 2.541 50 0 CFAAMO Cc1noc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000069491371 175834480 /nfs/dbraw/zinc/83/44/80/175834480.db2.gz OXXCNHXDZKRGAT-UHFFFAOYSA-N 1 1 289.354 2.972 50 0 CFAAMO Cc1ccc(C)n1C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000071185048 176059975 /nfs/dbraw/zinc/05/99/75/176059975.db2.gz YVJNOCLKKQTYBO-UHFFFAOYSA-N 1 1 274.368 2.633 50 0 CFAAMO CC(C)[C@@H]1C[N@@H+](C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071730391 176256007 /nfs/dbraw/zinc/25/60/07/176256007.db2.gz WCFZYNMLTVHPMB-HNNXBMFYSA-N 1 1 278.371 2.514 50 0 CFAAMO CC[N@H+]1CCC[C@H](Nc2nc(C)cc(C3CCC3)n2)C1 ZINC000071764072 176261911 /nfs/dbraw/zinc/26/19/11/176261911.db2.gz NAFXLEQQDFXEIU-AWEZNQCLSA-N 1 1 274.412 2.949 50 0 CFAAMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1F ZINC000071797337 176265036 /nfs/dbraw/zinc/26/50/36/176265036.db2.gz WESQCSQSWNPYOL-HNNXBMFYSA-N 1 1 289.354 2.905 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1F ZINC000071797337 176265038 /nfs/dbraw/zinc/26/50/38/176265038.db2.gz WESQCSQSWNPYOL-HNNXBMFYSA-N 1 1 289.354 2.905 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000071856531 176278820 /nfs/dbraw/zinc/27/88/20/176278820.db2.gz RTCJSEPHVBJIHK-LBPRGKRZSA-N 1 1 289.297 2.584 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000071913955 176298596 /nfs/dbraw/zinc/29/85/96/176298596.db2.gz XQDKPUIIDNGSCQ-UKRRQHHQSA-N 1 1 274.364 2.744 50 0 CFAAMO COc1ccccc1OC1C[NH+](CC[C@H](C)SC)C1 ZINC000072148494 176325810 /nfs/dbraw/zinc/32/58/10/176325810.db2.gz MUAPXNFPHRFNNP-LBPRGKRZSA-N 1 1 281.421 2.900 50 0 CFAAMO CCc1ccccc1C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000072147511 176325998 /nfs/dbraw/zinc/32/59/98/176325998.db2.gz INUWXFUYCGMGDY-AWEZNQCLSA-N 1 1 274.408 2.727 50 0 CFAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CCOC1 ZINC000072150242 176326223 /nfs/dbraw/zinc/32/62/23/176326223.db2.gz CGFUOJDCFJZGDC-ZDUSSCGKSA-N 1 1 272.348 2.810 50 0 CFAAMO C[N@@H+]1CCC[C@@H](c2cccc(Br)n2)C1 ZINC000072343814 176372232 /nfs/dbraw/zinc/37/22/32/176372232.db2.gz DUUDICNQWLSBAO-SECBINFHSA-N 1 1 255.159 2.653 50 0 CFAAMO C[N@H+]1CCC[C@@H](c2cccc(Br)n2)C1 ZINC000072343814 176372233 /nfs/dbraw/zinc/37/22/33/176372233.db2.gz DUUDICNQWLSBAO-SECBINFHSA-N 1 1 255.159 2.653 50 0 CFAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000072411173 176398430 /nfs/dbraw/zinc/39/84/30/176398430.db2.gz AKRYVJUJMXMZBJ-QGZVFWFLSA-N 1 1 291.435 2.737 50 0 CFAAMO OC1(CNc2cc[nH+]c3ccc(Cl)cc23)CCOCC1 ZINC000077217610 177236133 /nfs/dbraw/zinc/23/61/33/177236133.db2.gz WOJNEISRBFMQLT-UHFFFAOYSA-N 1 1 292.766 2.842 50 0 CFAAMO CC(C)[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCOCC1 ZINC000077322652 177252857 /nfs/dbraw/zinc/25/28/57/177252857.db2.gz JPVHPQZWNDOWNU-UHFFFAOYSA-N 1 1 291.351 2.719 50 0 CFAAMO CCC[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccsc1 ZINC000048071010 420500944 /nfs/dbraw/zinc/50/09/44/420500944.db2.gz RQLQRCDFNASVGX-LBPRGKRZSA-N 1 1 268.426 2.827 50 0 CFAAMO Cc1ccccc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000026219684 260130980 /nfs/dbraw/zinc/13/09/80/260130980.db2.gz RVGMFEAMNLIFLD-XJKSGUPXSA-N 1 1 268.360 2.872 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000007787649 274290418 /nfs/dbraw/zinc/29/04/18/274290418.db2.gz YLLDNFBWFYNMME-RHSMWYFYSA-N 1 1 286.419 2.912 50 0 CFAAMO CC1=CC[C@@H]2C[N@H+](Cc3nncn3C(C)C)C[C@@H]2C1 ZINC000252483595 276183458 /nfs/dbraw/zinc/18/34/58/276183458.db2.gz FFTAJKFHCVMDSC-KGLIPLIRSA-N 1 1 260.385 2.647 50 0 CFAAMO CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@@H](C)[N@@H+](C)C[C@H]2C ZINC000245232372 276203928 /nfs/dbraw/zinc/20/39/28/276203928.db2.gz URLGZASRDBGECB-MMYVAXCBSA-N 1 1 289.379 2.515 50 0 CFAAMO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(C)C)CC2)C12CCC2 ZINC000087709184 276490223 /nfs/dbraw/zinc/49/02/23/276490223.db2.gz ATKRYHLUUZEZQF-HOTGVXAUSA-N 1 1 280.456 2.797 50 0 CFAAMO CCc1[nH]c([C@H]2CC(=O)Nc3cc(O)c(C)cc32)c(C)[nH+]1 ZINC000065492667 276686331 /nfs/dbraw/zinc/68/63/31/276686331.db2.gz KGNPFBRGZPJGKT-NSHDSACASA-N 1 1 285.347 2.769 50 0 CFAAMO CC(C)C(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012058376 277334328 /nfs/dbraw/zinc/33/43/28/277334328.db2.gz QABVNSSMKYPCMR-CQSZACIVSA-N 1 1 266.429 2.946 50 0 CFAAMO COc1cccc2c1CC[N@@H+](Cc1cc[nH]c1)CC2 ZINC000194572065 278029269 /nfs/dbraw/zinc/02/92/69/278029269.db2.gz QSICJAWXQVNYHO-UHFFFAOYSA-N 1 1 256.349 2.624 50 0 CFAAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCCCC1 ZINC000065615805 278266897 /nfs/dbraw/zinc/26/68/97/278266897.db2.gz NWQOBGHKWLWLEL-ZNMIVQPWSA-N 1 1 295.471 2.985 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636000 278342069 /nfs/dbraw/zinc/34/20/69/278342069.db2.gz BVTLXIGKCFSFJA-ZNMIVQPWSA-N 1 1 280.456 2.652 50 0 CFAAMO C[C@@H](c1ccc(-c2cnsn2)cc1)[NH+]1CCOCC1 ZINC000426490514 278411267 /nfs/dbraw/zinc/41/12/67/278411267.db2.gz PTDJUBBKUQVXAT-NSHDSACASA-N 1 1 275.377 2.598 50 0 CFAAMO CCCCN(C)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095381093 278679661 /nfs/dbraw/zinc/67/96/61/278679661.db2.gz BXHUVMZWHQTWGC-AWEZNQCLSA-N 1 1 266.360 2.687 50 0 CFAAMO Cc1cnc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cn1 ZINC000076089535 279011440 /nfs/dbraw/zinc/01/14/40/279011440.db2.gz SETQRRLEVZAYET-MRXNPFEDSA-N 1 1 275.396 2.709 50 0 CFAAMO C[C@@H]1c2cc(F)ccc2CC[N@@H+]1CCn1cccn1 ZINC000299762577 279131180 /nfs/dbraw/zinc/13/11/80/279131180.db2.gz NVMIAADEWWJNAP-GFCCVEGCSA-N 1 1 259.328 2.642 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190175001 279140779 /nfs/dbraw/zinc/14/07/79/279140779.db2.gz AEHYPEWACMVHSG-CQSZACIVSA-N 1 1 290.407 2.798 50 0 CFAAMO CC(C)C[C@H]1CCCC[N@H+]1CCNC(=O)NC(C)(C)C ZINC000095452731 279207249 /nfs/dbraw/zinc/20/72/49/279207249.db2.gz NVKCELXQVXLEHX-CQSZACIVSA-N 1 1 283.460 2.985 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1CC1 ZINC000043769753 281128094 /nfs/dbraw/zinc/12/80/94/281128094.db2.gz KJALNEGZZLQEGT-GDBMZVCRSA-N 1 1 270.376 2.539 50 0 CFAAMO NC(=O)CSC1=[NH+]C2(CCCCC2)C2=C(CCCC2)N1 ZINC000008782595 295049083 /nfs/dbraw/zinc/04/90/83/295049083.db2.gz WXEXGEOLJPPASF-UHFFFAOYSA-N 1 1 293.436 2.695 50 0 CFAAMO Clc1ccccc1-c1cc(C[NH2+][C@H]2CCOC2)no1 ZINC000534589610 328317539 /nfs/dbraw/zinc/31/75/39/328317539.db2.gz BRIZCZWJXPBYPI-JTQLQIEISA-N 1 1 278.739 2.874 50 0 CFAAMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1CCCC1 ZINC000069623668 327100648 /nfs/dbraw/zinc/10/06/48/327100648.db2.gz DAOSQWPKIULPCB-LBPRGKRZSA-N 1 1 296.436 2.517 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](CCCNc2ccc3ccccc3n2)C1 ZINC000828711239 782103001 /nfs/dbraw/zinc/10/30/01/782103001.db2.gz TXRHCBDFPUQMFW-OAHLLOKOSA-N 1 1 299.418 2.741 50 0 CFAAMO CC1(C)C[C@H](O)CC[N@@H+](CCCc2ccco2)C1 ZINC000828629970 782099781 /nfs/dbraw/zinc/09/97/81/782099781.db2.gz ADUOFALNEDQPLM-CYBMUJFWSA-N 1 1 251.370 2.695 50 0 CFAAMO CC1=C(C[N@@H+]2CCn3nc(CO)cc3C2)C(C)(C)CCC1 ZINC000828839151 782110909 /nfs/dbraw/zinc/11/09/09/782110909.db2.gz SHPZMYWEKVVYAU-UHFFFAOYSA-N 1 1 289.423 2.718 50 0 CFAAMO CC1=C(C[N@H+]2CCn3nc(CO)cc3C2)C(C)(C)CCC1 ZINC000828839151 782110915 /nfs/dbraw/zinc/11/09/15/782110915.db2.gz SHPZMYWEKVVYAU-UHFFFAOYSA-N 1 1 289.423 2.718 50 0 CFAAMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc(C2CC2)n1 ZINC000096407641 534002158 /nfs/dbraw/zinc/00/21/58/534002158.db2.gz UUDYFMYWVPSFCC-ZIAGYGMSSA-N 1 1 272.396 2.701 50 0 CFAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338625661 519438898 /nfs/dbraw/zinc/43/88/98/519438898.db2.gz JHUWDHNJNAPYEH-MRXNPFEDSA-N 1 1 265.372 2.791 50 0 CFAAMO CCC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccn1 ZINC000225807778 527981252 /nfs/dbraw/zinc/98/12/52/527981252.db2.gz IXHZDLVPTWYMTB-CABCVRRESA-N 1 1 289.423 2.566 50 0 CFAAMO CC(C)c1[nH+]ccn1Cc1nc(-c2ccoc2)no1 ZINC000096500024 528373856 /nfs/dbraw/zinc/37/38/56/528373856.db2.gz ORLMAGJKLQHOMP-UHFFFAOYSA-N 1 1 258.281 2.698 50 0 CFAAMO CCCO[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000097805539 528606055 /nfs/dbraw/zinc/60/60/55/528606055.db2.gz ADKZXAHKMKIPRY-CYBMUJFWSA-N 1 1 273.380 2.954 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000097805539 528606061 /nfs/dbraw/zinc/60/60/61/528606061.db2.gz ADKZXAHKMKIPRY-CYBMUJFWSA-N 1 1 273.380 2.954 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096439511 528816599 /nfs/dbraw/zinc/81/65/99/528816599.db2.gz KDGLQLXXOFLQOL-IYBDPMFKSA-N 1 1 293.455 2.714 50 0 CFAAMO C[NH+]1CCC(N[C@H]2CCCOc3ccccc32)CC1 ZINC000098020455 545572133 /nfs/dbraw/zinc/57/21/33/545572133.db2.gz SFKPDBAQGVQXRS-HNNXBMFYSA-N 1 1 260.381 2.584 50 0 CFAAMO Cc1cc2c(cc1C[N@@H+](C)CCc1ccncc1)OCCO2 ZINC000216072010 570304889 /nfs/dbraw/zinc/30/48/89/570304889.db2.gz NLQPJJVSFJMIPH-UHFFFAOYSA-N 1 1 298.386 2.836 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cncn2C2CCCCC2)C[C@]1(C)O ZINC000091476375 618110812 /nfs/dbraw/zinc/11/08/12/618110812.db2.gz HPDPUELSCAGLSZ-CJNGLKHVSA-N 1 1 277.412 2.591 50 0 CFAAMO Cc1cc(NC(=O)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000000190513 618968048 /nfs/dbraw/zinc/96/80/48/618968048.db2.gz TTWPAGGXQPTFDM-UHFFFAOYSA-N 1 1 283.375 2.968 50 0 CFAAMO O=C(NC[C@H]1CCC[N@H+](CCCC(F)(F)F)C1)C1CC1 ZINC000952967670 626114582 /nfs/dbraw/zinc/11/45/82/626114582.db2.gz CGBVNNHNRBAJFH-LLVKDONJSA-N 1 1 292.345 2.567 50 0 CFAAMO O[C@@H]1CN(CC2CCCCC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000011772276 626186287 /nfs/dbraw/zinc/18/62/87/626186287.db2.gz DDJMVGJILXXBHL-QZTJIDSGSA-N 1 1 294.483 2.878 50 0 CFAAMO CC[C@H](OC)C(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000952971452 650790883 /nfs/dbraw/zinc/79/08/83/650790883.db2.gz SIGUGUMTUNFLLG-HNNXBMFYSA-N 1 1 287.363 2.603 50 0 CFAAMO COc1cccc(C[C@@H]2C[N@H+](C3CCCC3)CCO2)c1 ZINC000019339818 651289224 /nfs/dbraw/zinc/28/92/24/651289224.db2.gz OIMIAQXGTASMIN-QGZVFWFLSA-N 1 1 275.392 2.881 50 0 CFAAMO COc1cccc2c(C)cc(N3CCC[N@@H+](C)CC3)nc12 ZINC000023633907 775529589 /nfs/dbraw/zinc/52/95/89/775529589.db2.gz PEVWMKZIBKGNOF-UHFFFAOYSA-N 1 1 285.391 2.694 50 0 CFAAMO O=C1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)N1 ZINC000675016256 775983350 /nfs/dbraw/zinc/98/33/50/775983350.db2.gz BOEOVPGRPVBBET-CQSZACIVSA-N 1 1 298.308 2.560 50 0 CFAAMO C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)o2)[C@@H](C)C[N@@H+]1C ZINC000585135643 776870809 /nfs/dbraw/zinc/87/08/09/776870809.db2.gz ULGOSXJNQVVMQY-OLZOCXBDSA-N 1 1 299.374 2.506 50 0 CFAAMO C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)o2)[C@@H](C)C[N@H+]1C ZINC000585135643 776870816 /nfs/dbraw/zinc/87/08/16/776870816.db2.gz ULGOSXJNQVVMQY-OLZOCXBDSA-N 1 1 299.374 2.506 50 0 CFAAMO C[C@@H](c1ccc(-c2cnccn2)cc1)[NH+]1CCOCC1 ZINC000032587384 779071759 /nfs/dbraw/zinc/07/17/59/779071759.db2.gz UOKGBAMJBXUZNV-ZDUSSCGKSA-N 1 1 269.348 2.537 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000096455386 230377000 /nfs/dbraw/zinc/37/70/00/230377000.db2.gz IHYYLCVHKBDKFA-AWEZNQCLSA-N 1 1 291.395 2.523 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000096455386 230377001 /nfs/dbraw/zinc/37/70/01/230377001.db2.gz IHYYLCVHKBDKFA-AWEZNQCLSA-N 1 1 291.395 2.523 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCc2ncccc2C1 ZINC000095521629 185003143 /nfs/dbraw/zinc/00/31/43/185003143.db2.gz BSMFCMRYCLOUOF-ZDUSSCGKSA-N 1 1 298.390 2.547 50 0 CFAAMO Cc1[nH+]ccn1CCCN1C(=O)OC[C@@H]1c1ccccc1 ZINC000095530337 185005266 /nfs/dbraw/zinc/00/52/66/185005266.db2.gz IRMPNSWPWFSZSS-OAHLLOKOSA-N 1 1 285.347 2.775 50 0 CFAAMO CC(C)CO[C@@H]1C[C@@H]([N@@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009224 185064261 /nfs/dbraw/zinc/06/42/61/185064261.db2.gz QEYALEIOZVTYGS-HUUCEWRRSA-N 1 1 296.455 2.556 50 0 CFAAMO C[C@H](O)c1cccc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000096141901 185106375 /nfs/dbraw/zinc/10/63/75/185106375.db2.gz HLFHKXNXHPEHQK-AWEZNQCLSA-N 1 1 298.386 2.634 50 0 CFAAMO CC(=O)Nc1ccc(C)c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000097034029 185157670 /nfs/dbraw/zinc/15/76/70/185157670.db2.gz MRBWVQCCSNIABF-SWLSCSKDSA-N 1 1 287.407 2.991 50 0 CFAAMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000069871591 346902008 /nfs/dbraw/zinc/90/20/08/346902008.db2.gz LPOAFEQVQDGDGF-LBPRGKRZSA-N 1 1 284.306 2.711 50 0 CFAAMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000069871591 346902012 /nfs/dbraw/zinc/90/20/12/346902012.db2.gz LPOAFEQVQDGDGF-LBPRGKRZSA-N 1 1 284.306 2.711 50 0 CFAAMO CCn1ccnc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000220650815 529567758 /nfs/dbraw/zinc/56/77/58/529567758.db2.gz NIBZRMCLIYJGHU-QGZVFWFLSA-N 1 1 298.434 2.609 50 0 CFAAMO C[C@H](c1ccncc1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072277651 346925113 /nfs/dbraw/zinc/92/51/13/346925113.db2.gz QHJVVSCIOFLWDT-OCCSQVGLSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072277651 346925118 /nfs/dbraw/zinc/92/51/18/346925118.db2.gz QHJVVSCIOFLWDT-OCCSQVGLSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1ccncc1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072277651 346925121 /nfs/dbraw/zinc/92/51/21/346925121.db2.gz QHJVVSCIOFLWDT-OCCSQVGLSA-N 1 1 256.353 2.745 50 0 CFAAMO Cc1nn(C)c(C)c1C[N@H+]1CCCc2occc2C1 ZINC000288986818 282259631 /nfs/dbraw/zinc/25/96/31/282259631.db2.gz ZSAYQMGYUJQVSZ-UHFFFAOYSA-N 1 1 259.353 2.578 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069328483 539373189 /nfs/dbraw/zinc/37/31/89/539373189.db2.gz GJKZOCFGUZQGQU-SJORKVTESA-N 1 1 272.392 2.662 50 0 CFAAMO c1csc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000662064481 539373802 /nfs/dbraw/zinc/37/38/02/539373802.db2.gz RRAQFNWLDOWETL-CYBMUJFWSA-N 1 1 260.362 2.796 50 0 CFAAMO c1csc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000662064481 539373806 /nfs/dbraw/zinc/37/38/06/539373806.db2.gz RRAQFNWLDOWETL-CYBMUJFWSA-N 1 1 260.362 2.796 50 0 CFAAMO C[N@@H+](C[C@@H]1CCCCO1)[C@@H](CCO)c1ccccc1 ZINC000096441583 529945891 /nfs/dbraw/zinc/94/58/91/529945891.db2.gz GFANMBXRTJCASX-HOTGVXAUSA-N 1 1 263.381 2.611 50 0 CFAAMO Cc1ccccc1O[C@@H](C)CC[C@@H](C)[N@@H+](C)CCO ZINC000022064884 346247335 /nfs/dbraw/zinc/24/73/35/346247335.db2.gz CCWAVEMRPJAESV-CABCVRRESA-N 1 1 265.397 2.855 50 0 CFAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078347 346248173 /nfs/dbraw/zinc/24/81/73/346248173.db2.gz DTUDASASKRVRRY-CMPLNLGQSA-N 1 1 299.212 2.711 50 0 CFAAMO C[C@@H](Cc1ccccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023279937 346252480 /nfs/dbraw/zinc/25/24/80/346252480.db2.gz RWXSTOGCNVPKTD-RWMBFGLXSA-N 1 1 251.345 2.866 50 0 CFAAMO Cc1ccc(O)c(C2=CC(c3ccco3)=[NH+]CCN2)c1 ZINC000032104999 346299654 /nfs/dbraw/zinc/29/96/54/346299654.db2.gz WXEUTKYRQCCVFS-UHFFFAOYSA-N 1 1 268.316 2.727 50 0 CFAAMO CCCCc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000048533503 346474801 /nfs/dbraw/zinc/47/48/01/346474801.db2.gz QXULWYZOVBIFKA-UHFFFAOYSA-N 1 1 275.396 2.809 50 0 CFAAMO c1coc(C[NH+]2CCC(c3nc(C4CC4)n[nH]3)CC2)c1 ZINC000065287301 346732905 /nfs/dbraw/zinc/73/29/05/346732905.db2.gz DFNNMTMKDQDIAC-UHFFFAOYSA-N 1 1 272.352 2.655 50 0 CFAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071441 347117792 /nfs/dbraw/zinc/11/77/92/347117792.db2.gz MNXXRKRFBYKUSJ-QWHCGFSZSA-N 1 1 286.485 2.897 50 0 CFAAMO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000076146570 347125368 /nfs/dbraw/zinc/12/53/68/347125368.db2.gz WMCDHBDLVPTUKR-QWRGUYRKSA-N 1 1 269.414 2.909 50 0 CFAAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000076146570 347125372 /nfs/dbraw/zinc/12/53/72/347125372.db2.gz WMCDHBDLVPTUKR-QWRGUYRKSA-N 1 1 269.414 2.909 50 0 CFAAMO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000076146568 347125391 /nfs/dbraw/zinc/12/53/91/347125391.db2.gz WMCDHBDLVPTUKR-MNOVXSKESA-N 1 1 269.414 2.909 50 0 CFAAMO CS[C@H]1CCC[C@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000076146568 347125395 /nfs/dbraw/zinc/12/53/95/347125395.db2.gz WMCDHBDLVPTUKR-MNOVXSKESA-N 1 1 269.414 2.909 50 0 CFAAMO CS[C@H]1CCC[C@H]1[N@@H+](C)Cc1cnc(C)cn1 ZINC000078947982 347281192 /nfs/dbraw/zinc/28/11/92/347281192.db2.gz VNIICUPKSUMGCH-OLZOCXBDSA-N 1 1 251.399 2.501 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@H](CO)c1ccccc1 ZINC000096027594 347700320 /nfs/dbraw/zinc/70/03/20/347700320.db2.gz DLQNFALCHYKSGE-QGZVFWFLSA-N 1 1 255.361 2.895 50 0 CFAAMO CC[C@@H](C(=O)NC[NH+]1CCCCC1)c1ccccc1 ZINC000096026533 347700604 /nfs/dbraw/zinc/70/06/04/347700604.db2.gz JORYREZKSOUJLR-OAHLLOKOSA-N 1 1 260.381 2.740 50 0 CFAAMO C[NH2+][C@]1(c2cccc(OC)c2Cl)CCCCC1=O ZINC000096027260 347700672 /nfs/dbraw/zinc/70/06/72/347700672.db2.gz SAXUVFITUZDVNJ-AWEZNQCLSA-N 1 1 267.756 2.906 50 0 CFAAMO CC(C)Cn1nccc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000097231967 347707884 /nfs/dbraw/zinc/70/78/84/347707884.db2.gz QRFMJNXCCSCJFW-QWHCGFSZSA-N 1 1 262.401 2.576 50 0 CFAAMO OCCC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372118 347708760 /nfs/dbraw/zinc/70/87/60/347708760.db2.gz RXJMAFCUESBDGA-LBPRGKRZSA-N 1 1 273.298 2.877 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@H+](C)CCCS(C)(=O)=O ZINC000136210162 347909458 /nfs/dbraw/zinc/90/94/58/347909458.db2.gz VHDIKULPBYCCSE-UHFFFAOYSA-N 1 1 289.828 2.515 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@@H+](C)CCCS(C)(=O)=O ZINC000136210162 347909460 /nfs/dbraw/zinc/90/94/60/347909460.db2.gz VHDIKULPBYCCSE-UHFFFAOYSA-N 1 1 289.828 2.515 50 0 CFAAMO CC[C@@H]([NH2+]CCc1nc[nH]n1)c1cccc(Cl)c1F ZINC000161879294 348026943 /nfs/dbraw/zinc/02/69/43/348026943.db2.gz MVUKDHIUUIMIEW-LLVKDONJSA-N 1 1 282.750 2.881 50 0 CFAAMO CCc1nn(C)cc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000170606868 348056186 /nfs/dbraw/zinc/05/61/86/348056186.db2.gz AJJXNVUAHFGBSY-CXAGYDPISA-N 1 1 284.407 2.961 50 0 CFAAMO COc1cccc(CNc2ccc(-n3cc[nH+]c3C)nc2)n1 ZINC000170610373 348056516 /nfs/dbraw/zinc/05/65/16/348056516.db2.gz AAHUIRWPBOKWMR-UHFFFAOYSA-N 1 1 295.346 2.591 50 0 CFAAMO C[N@@H+](Cc1ccccc1-n1cccn1)[C@@H]1CCSC1 ZINC000130487000 539601340 /nfs/dbraw/zinc/60/13/40/539601340.db2.gz PWZQTWIGIHUYQD-CQSZACIVSA-N 1 1 273.405 2.810 50 0 CFAAMO COC[C@@](C)([NH2+]Cc1cccnc1OC)c1ccccc1 ZINC000193522550 348142732 /nfs/dbraw/zinc/14/27/32/348142732.db2.gz ZWVBCRQBJUPIKY-QGZVFWFLSA-N 1 1 286.375 2.742 50 0 CFAAMO COC(C[N@H+]1Cc2ccccc2SC[C@H]1C)OC ZINC000225453430 348177608 /nfs/dbraw/zinc/17/76/08/348177608.db2.gz VFWULGGXMHRALW-LLVKDONJSA-N 1 1 267.394 2.602 50 0 CFAAMO C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229337575 348200887 /nfs/dbraw/zinc/20/08/87/348200887.db2.gz UXUSCXCCMLCGJF-GXTWGEPZSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229337575 348200889 /nfs/dbraw/zinc/20/08/89/348200889.db2.gz UXUSCXCCMLCGJF-GXTWGEPZSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229337575 348200893 /nfs/dbraw/zinc/20/08/93/348200893.db2.gz UXUSCXCCMLCGJF-GXTWGEPZSA-N 1 1 256.353 2.745 50 0 CFAAMO Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000230499241 348206112 /nfs/dbraw/zinc/20/61/12/348206112.db2.gz YBSVWAIBNMQNHA-INIZCTEOSA-N 1 1 298.386 2.952 50 0 CFAAMO Cc1csc([C@@H](C)[N@@H+](C)C[C@H]2CC[C@H](O)CC2)n1 ZINC000244633184 348250479 /nfs/dbraw/zinc/25/04/79/348250479.db2.gz FYQJTPICKHHAMJ-JHJVBQTASA-N 1 1 268.426 2.995 50 0 CFAAMO CN1CCC([NH2+][C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000584890071 348728385 /nfs/dbraw/zinc/72/83/85/348728385.db2.gz VNEFGHJJTOVWOO-GOSISDBHSA-N 1 1 299.393 2.994 50 0 CFAAMO COc1cccc(C)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000585140355 348736347 /nfs/dbraw/zinc/73/63/47/348736347.db2.gz CPKLXLUPVDUKCP-ZIAGYGMSSA-N 1 1 262.397 2.576 50 0 CFAAMO COc1cccc(C)c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000585140355 348736350 /nfs/dbraw/zinc/73/63/50/348736350.db2.gz CPKLXLUPVDUKCP-ZIAGYGMSSA-N 1 1 262.397 2.576 50 0 CFAAMO CC(C)[N@H+]1CCN(Cc2ccccc2Cl)C[C@H]1CCO ZINC000104467916 186007972 /nfs/dbraw/zinc/00/79/72/186007972.db2.gz RPLVKGYENHHYSA-OAHLLOKOSA-N 1 1 296.842 2.617 50 0 CFAAMO COc1ccc2c(c1)OC[C@H](Cc1ccc(N(C)C)[nH+]c1)C2 ZINC000091288650 180122043 /nfs/dbraw/zinc/12/20/43/180122043.db2.gz AAVRYBRUQSYFIR-CQSZACIVSA-N 1 1 298.386 2.950 50 0 CFAAMO c1ccc(CC[N@@H+](Cc2ccncc2)C2CC2)nc1 ZINC000271330448 191077656 /nfs/dbraw/zinc/07/76/56/191077656.db2.gz FKMYLAZQPZJXQD-UHFFFAOYSA-N 1 1 253.349 2.684 50 0 CFAAMO CCCCc1ncc(C[N@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)[nH]1 ZINC000091952184 180291845 /nfs/dbraw/zinc/29/18/45/180291845.db2.gz SPZGHOGMUCCGOB-DYVFJYSZSA-N 1 1 291.439 2.735 50 0 CFAAMO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)c[nH]1 ZINC000091952184 180291846 /nfs/dbraw/zinc/29/18/46/180291846.db2.gz SPZGHOGMUCCGOB-DYVFJYSZSA-N 1 1 291.439 2.735 50 0 CFAAMO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)c[nH]1 ZINC000091952184 180291847 /nfs/dbraw/zinc/29/18/47/180291847.db2.gz SPZGHOGMUCCGOB-DYVFJYSZSA-N 1 1 291.439 2.735 50 0 CFAAMO COCCC[C@@]1(CO)CCC[N@H+](C2CCCCC2)C1 ZINC000091908036 180284188 /nfs/dbraw/zinc/28/41/88/180284188.db2.gz USDFXODTIRKSRD-INIZCTEOSA-N 1 1 269.429 2.820 50 0 CFAAMO CCCn1ccnc1CNc1nc(C)[nH+]c(C)c1C ZINC000092081226 180319378 /nfs/dbraw/zinc/31/93/78/180319378.db2.gz BSOBBROKZMSRCM-UHFFFAOYSA-N 1 1 259.357 2.620 50 0 CFAAMO C[N@H+](Cc1ncnn1-c1ccccc1)C1CCCC1 ZINC000092081233 180319559 /nfs/dbraw/zinc/31/95/59/180319559.db2.gz AEABXZJUUSSFMU-UHFFFAOYSA-N 1 1 256.353 2.642 50 0 CFAAMO C[N@@H+](Cc1ncnn1-c1ccccc1)C1CCCC1 ZINC000092081233 180319560 /nfs/dbraw/zinc/31/95/60/180319560.db2.gz AEABXZJUUSSFMU-UHFFFAOYSA-N 1 1 256.353 2.642 50 0 CFAAMO C[C@H](CNC(=S)NCc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000106067953 186100690 /nfs/dbraw/zinc/10/06/90/186100690.db2.gz TUUOODZZSKLVRS-QWHCGFSZSA-N 1 1 295.452 2.507 50 0 CFAAMO CCN(C(C)=O)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106132168 186103834 /nfs/dbraw/zinc/10/38/34/186103834.db2.gz AQJCTIIATUSJFQ-CJNGLKHVSA-N 1 1 260.381 2.690 50 0 CFAAMO OCC[N@@H+](C[C@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000106853637 186142285 /nfs/dbraw/zinc/14/22/85/186142285.db2.gz BWDKFUHKEYTHNR-OALUTQOASA-N 1 1 297.398 2.702 50 0 CFAAMO CS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000107145124 186160230 /nfs/dbraw/zinc/16/02/30/186160230.db2.gz OSWISLHGYOIZBU-ZNMIVQPWSA-N 1 1 265.422 2.936 50 0 CFAAMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cnccn1 ZINC000108328640 186212029 /nfs/dbraw/zinc/21/20/29/186212029.db2.gz FIHYEKZTAVKWCH-HUUCEWRRSA-N 1 1 276.428 2.638 50 0 CFAAMO Cc1cc(CNC(=O)[C@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000222226424 539990177 /nfs/dbraw/zinc/99/01/77/539990177.db2.gz ITQKCFWSTZNKJD-KRWDZBQOSA-N 1 1 297.402 2.618 50 0 CFAAMO Cc1nn(C)c(C)c1C[C@H](C)Nc1cccc(C)[nH+]1 ZINC000157720440 188334399 /nfs/dbraw/zinc/33/43/99/188334399.db2.gz IPIOFXQKAHWYBT-NSHDSACASA-N 1 1 258.369 2.783 50 0 CFAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)cc1C ZINC000247944858 540422037 /nfs/dbraw/zinc/42/20/37/540422037.db2.gz WDDAKVWJJVGPSO-ZBFHGGJFSA-N 1 1 274.408 2.672 50 0 CFAAMO CC[N@@H+]1Cc2cccc(NC(=O)c3cncc(C)c3)c2C1 ZINC000096011064 540726767 /nfs/dbraw/zinc/72/67/67/540726767.db2.gz ILCMAERBTJCWDS-UHFFFAOYSA-N 1 1 281.359 2.978 50 0 CFAAMO CC[N@H+]1Cc2cccc(NC(=O)c3cncc(C)c3)c2C1 ZINC000096011064 540726768 /nfs/dbraw/zinc/72/67/68/540726768.db2.gz ILCMAERBTJCWDS-UHFFFAOYSA-N 1 1 281.359 2.978 50 0 CFAAMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCc3sccc3C2)C1 ZINC000089840156 540719861 /nfs/dbraw/zinc/71/98/61/540719861.db2.gz AMXQNGVRUCIKAZ-AWEZNQCLSA-N 1 1 292.448 2.611 50 0 CFAAMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1c(F)cccc1F ZINC000093739051 540723368 /nfs/dbraw/zinc/72/33/68/540723368.db2.gz MNSSCZZZQKMDIF-GHMZBOCLSA-N 1 1 255.308 2.558 50 0 CFAAMO Cc1ccncc1[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000585087137 540937434 /nfs/dbraw/zinc/93/74/34/540937434.db2.gz CGANIWKJQVYLBK-AWEZNQCLSA-N 1 1 299.422 2.726 50 0 CFAAMO Cc1ccncc1[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000585087137 540937438 /nfs/dbraw/zinc/93/74/38/540937438.db2.gz CGANIWKJQVYLBK-AWEZNQCLSA-N 1 1 299.422 2.726 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000180081693 189236310 /nfs/dbraw/zinc/23/63/10/189236310.db2.gz QHPXORZWURKRJS-HNNXBMFYSA-N 1 1 274.343 2.563 50 0 CFAAMO CC[N@H+]1CCC[C@@H](c2ncnn2C2Cc3ccccc3C2)C1 ZINC000670441748 540996358 /nfs/dbraw/zinc/99/63/58/540996358.db2.gz NOYUPGPTBOLNPO-MRXNPFEDSA-N 1 1 296.418 2.817 50 0 CFAAMO Cc1nncn1CC[N@H+](C)C[C@]1(c2ccccc2)CC1(C)C ZINC000670443608 540996506 /nfs/dbraw/zinc/99/65/06/540996506.db2.gz ZMONLTJTTAMZII-SFHVURJKSA-N 1 1 298.434 2.886 50 0 CFAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1ccc3c(c1)CCC3)C2 ZINC000670443530 540996532 /nfs/dbraw/zinc/99/65/32/540996532.db2.gz TVTIGFYLAXNOCJ-KSSFIOAISA-N 1 1 298.430 2.732 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN(c2ncc(Cl)cn2)C1 ZINC000670446610 540997347 /nfs/dbraw/zinc/99/73/47/540997347.db2.gz SAIWNQVDNSFWOV-GFCCVEGCSA-N 1 1 291.786 2.552 50 0 CFAAMO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](O)CC2)c(OC)c1 ZINC000670445970 540997493 /nfs/dbraw/zinc/99/74/93/540997493.db2.gz QVNDJRFUODKEHN-LLVKDONJSA-N 1 1 299.798 2.704 50 0 CFAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](O)CC2)c(OC)c1 ZINC000670445970 540997496 /nfs/dbraw/zinc/99/74/96/540997496.db2.gz QVNDJRFUODKEHN-LLVKDONJSA-N 1 1 299.798 2.704 50 0 CFAAMO CNC(=O)CC[C@@H]1CCC[N@@H+](CCC=C(C)C)C1 ZINC000670447255 540997809 /nfs/dbraw/zinc/99/78/09/540997809.db2.gz ZWMPQSVQBYHABJ-AWEZNQCLSA-N 1 1 252.402 2.581 50 0 CFAAMO CNC(=O)C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000670456234 541001734 /nfs/dbraw/zinc/00/17/34/541001734.db2.gz WELNYJDGKWPGDK-LBPRGKRZSA-N 1 1 288.416 2.859 50 0 CFAAMO Clc1cccc(OC2C[NH+](CC[C@H]3CCOC3)C2)c1 ZINC000670457208 541001826 /nfs/dbraw/zinc/00/18/26/541001826.db2.gz JMEOLMNVSDOZAB-LBPRGKRZSA-N 1 1 281.783 2.830 50 0 CFAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCCC(CO)(CO)C1 ZINC000670463850 541005491 /nfs/dbraw/zinc/00/54/91/541005491.db2.gz DXZOCEBEVTWLGE-LZYBPNLTSA-N 1 1 281.440 2.746 50 0 CFAAMO CC[C@H](C)Cc1nc(CN2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000670465098 541005813 /nfs/dbraw/zinc/00/58/13/541005813.db2.gz JMSSKMDTFRYAAY-AWEZNQCLSA-N 1 1 299.422 2.847 50 0 CFAAMO Cc1nc2ccc(C[NH2+][C@H](C)CN3CCCCC3)cc2[nH]1 ZINC000670468730 541007782 /nfs/dbraw/zinc/00/77/82/541007782.db2.gz IYMSXVNLEGHVPG-CYBMUJFWSA-N 1 1 286.423 2.835 50 0 CFAAMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000670469733 541008174 /nfs/dbraw/zinc/00/81/74/541008174.db2.gz RYUAAYGSHNLITG-CYBMUJFWSA-N 1 1 258.365 2.761 50 0 CFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000229385418 189798408 /nfs/dbraw/zinc/79/84/08/189798408.db2.gz VFIWHWWVHRJLBL-KGLIPLIRSA-N 1 1 278.421 2.722 50 0 CFAAMO CSC1=[NH+]CCN1CC(=O)c1ccc(Cl)cc1 ZINC000000166991 371546521 /nfs/dbraw/zinc/54/65/21/371546521.db2.gz UKOMEMFJSPOCAV-UHFFFAOYSA-N 1 1 268.769 2.557 50 0 CFAAMO O[C@@H](COCc1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000000448474 371616137 /nfs/dbraw/zinc/61/61/37/371616137.db2.gz WPJZTIVXTMTTDV-LJQANCHMSA-N 1 1 297.398 2.622 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000000236969 371564524 /nfs/dbraw/zinc/56/45/24/371564524.db2.gz HLMFFJLTLCAFPU-HNNXBMFYSA-N 1 1 292.398 2.906 50 0 CFAAMO CC[NH+]1CCN(C(=S)c2ccc(Cl)cc2)CC1 ZINC000000462738 371621059 /nfs/dbraw/zinc/62/10/59/371621059.db2.gz QIRQGNZQWCVFAG-UHFFFAOYSA-N 1 1 268.813 2.653 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000000757228 371647602 /nfs/dbraw/zinc/64/76/02/371647602.db2.gz GYCFFGIRUFLMHF-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000000757228 371647605 /nfs/dbraw/zinc/64/76/05/371647605.db2.gz GYCFFGIRUFLMHF-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000000757428 371649227 /nfs/dbraw/zinc/64/92/27/371649227.db2.gz VZLOINUBTSQDNP-SNVBAGLBSA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000000757428 371649232 /nfs/dbraw/zinc/64/92/32/371649232.db2.gz VZLOINUBTSQDNP-SNVBAGLBSA-N 1 1 287.190 2.691 50 0 CFAAMO CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C ZINC000001062418 371660641 /nfs/dbraw/zinc/66/06/41/371660641.db2.gz ALOKFFPSHUUZOQ-UHFFFAOYSA-N 1 1 286.379 2.518 50 0 CFAAMO C[N@@H+](CCOC(=O)/C=C/c1ccco1)Cc1ccccc1 ZINC000002180619 371718155 /nfs/dbraw/zinc/71/81/55/371718155.db2.gz JUAZECOXJLFJHX-MDZDMXLPSA-N 1 1 285.343 2.968 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000002760608 371751401 /nfs/dbraw/zinc/75/14/01/371751401.db2.gz ZCGAGODWJGQSCO-UHFFFAOYSA-N 1 1 252.333 2.886 50 0 CFAAMO CSc1ccc(/C=C/C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000003356567 371795250 /nfs/dbraw/zinc/79/52/50/371795250.db2.gz YDJZWUINKIPRDL-RMKNXTFCSA-N 1 1 290.432 2.586 50 0 CFAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000003564643 371810756 /nfs/dbraw/zinc/81/07/56/371810756.db2.gz OADYZQLRFVTJNE-ZDUSSCGKSA-N 1 1 260.381 2.974 50 0 CFAAMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCCCC1 ZINC000003582656 371810903 /nfs/dbraw/zinc/81/09/03/371810903.db2.gz JZBGIHSCQTWHPQ-UHFFFAOYSA-N 1 1 282.771 2.773 50 0 CFAAMO COc1cccc(C(=O)O[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000003901928 371824525 /nfs/dbraw/zinc/82/45/25/371824525.db2.gz GZVRRJMREYBBIV-TYNCELHUSA-N 1 1 277.364 2.581 50 0 CFAAMO Cc1cccc(C)c1-n1nnnc1[C@@H](CC(C)C)[NH+](C)C ZINC000004016417 371827701 /nfs/dbraw/zinc/82/77/01/371827701.db2.gz ZKZFVZHSVUUKKF-CQSZACIVSA-N 1 1 287.411 2.928 50 0 CFAAMO C[N@@H+](CCOC(=O)COc1ccc(Cl)cc1)C(C)(C)C ZINC000004679716 371872092 /nfs/dbraw/zinc/87/20/92/371872092.db2.gz PYQIQTRQLZDGDB-UHFFFAOYSA-N 1 1 299.798 2.992 50 0 CFAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](C)C1 ZINC000012003420 371940086 /nfs/dbraw/zinc/94/00/86/371940086.db2.gz QIUWVFYPCZAVEC-QGZVFWFLSA-N 1 1 291.391 2.731 50 0 CFAAMO O=c1sc2ccccc2n1C[NH2+]C1CCCCC1 ZINC000005740023 371887321 /nfs/dbraw/zinc/88/73/21/371887321.db2.gz WXKDCBXVCWOPBS-UHFFFAOYSA-N 1 1 262.378 2.943 50 0 CFAAMO Cc1c2ccccc2oc1C(=O)N1CCC[N@H+](C)CC1 ZINC000006730765 371890238 /nfs/dbraw/zinc/89/02/38/371890238.db2.gz WHECDOQOWGXNLR-UHFFFAOYSA-N 1 1 272.348 2.519 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007444962 371895429 /nfs/dbraw/zinc/89/54/29/371895429.db2.gz VQIIURZTILVKCQ-ZBFHGGJFSA-N 1 1 274.408 2.813 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007444962 371895440 /nfs/dbraw/zinc/89/54/40/371895440.db2.gz VQIIURZTILVKCQ-ZBFHGGJFSA-N 1 1 274.408 2.813 50 0 CFAAMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000011774876 371930176 /nfs/dbraw/zinc/93/01/76/371930176.db2.gz VTDCJYIVWDJSRB-MRXNPFEDSA-N 1 1 298.390 2.685 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COCc1ccccc1F ZINC000012540813 371972494 /nfs/dbraw/zinc/97/24/94/371972494.db2.gz AXBWTBDQEIFRII-IJEWVQPXSA-N 1 1 295.398 2.966 50 0 CFAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000012909162 371997599 /nfs/dbraw/zinc/99/75/99/371997599.db2.gz WPEAODXWXHZRRT-HNNXBMFYSA-N 1 1 298.361 2.830 50 0 CFAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC2)cc1 ZINC000012917870 371999844 /nfs/dbraw/zinc/99/98/44/371999844.db2.gz XWBOTYSMOHZKPL-MRXNPFEDSA-N 1 1 288.391 2.501 50 0 CFAAMO COc1ccccc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000013216204 372020096 /nfs/dbraw/zinc/02/00/96/372020096.db2.gz PKYQXJSCPUVPKI-UHFFFAOYSA-N 1 1 267.332 2.861 50 0 CFAAMO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccco1 ZINC000014162883 372060386 /nfs/dbraw/zinc/06/03/86/372060386.db2.gz RNQJPMFIUYAAQB-UHFFFAOYSA-N 1 1 258.321 2.740 50 0 CFAAMO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000016342738 372105254 /nfs/dbraw/zinc/10/52/54/372105254.db2.gz NQECGJBXCHRGIP-HNNXBMFYSA-N 1 1 260.381 2.520 50 0 CFAAMO Cc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000016578869 372110019 /nfs/dbraw/zinc/11/00/19/372110019.db2.gz AXOOJLOJCMLUJF-DOTOQJQBSA-N 1 1 277.408 2.604 50 0 CFAAMO CCC[N@H+]1CCc2nc(Nc3ccc(OC)cc3)ncc2C1 ZINC000015778891 372091186 /nfs/dbraw/zinc/09/11/86/372091186.db2.gz FNKJCKDRUJTXQC-UHFFFAOYSA-N 1 1 298.390 2.997 50 0 CFAAMO C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000016333988 372103351 /nfs/dbraw/zinc/10/33/51/372103351.db2.gz OFIKXGZTXUSCPZ-ZDUSSCGKSA-N 1 1 288.416 2.885 50 0 CFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000016293439 372103399 /nfs/dbraw/zinc/10/33/99/372103399.db2.gz FKEMVPGJVAQWRR-UHFFFAOYSA-N 1 1 295.386 2.866 50 0 CFAAMO Cc1cc(C)n(Cc2ccc(C[N@H+]3CCCOCC3)cc2)n1 ZINC000019146618 372149068 /nfs/dbraw/zinc/14/90/68/372149068.db2.gz XURJYFBFJHQYPI-UHFFFAOYSA-N 1 1 299.418 2.771 50 0 CFAAMO CCOC(=O)N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000019633252 372178967 /nfs/dbraw/zinc/17/89/67/372178967.db2.gz WDLHXAGDPXEJLP-UHFFFAOYSA-N 1 1 276.380 2.578 50 0 CFAAMO Brc1ccc(CNCC[NH+]2CCCC2)cc1 ZINC000019823600 372192501 /nfs/dbraw/zinc/19/25/01/372192501.db2.gz WAAMOLDHPXBZBY-UHFFFAOYSA-N 1 1 283.213 2.635 50 0 CFAAMO CCN1CCN(C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000019888978 372203981 /nfs/dbraw/zinc/20/39/81/372203981.db2.gz YILRBLMNNNHMEW-AEFFLSMTSA-N 1 1 293.499 2.667 50 0 CFAAMO Cc1ccccc1[C@@H](c1ccccc1)[NH+]1CCNCC1 ZINC000022122414 372244863 /nfs/dbraw/zinc/24/48/63/372244863.db2.gz IZNRYBFUKJNNLH-GOSISDBHSA-N 1 1 266.388 2.990 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000022936411 372248961 /nfs/dbraw/zinc/24/89/61/372248961.db2.gz YMAOBAZBJHENAS-OAHLLOKOSA-N 1 1 292.423 2.668 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1OC ZINC000022936411 372248970 /nfs/dbraw/zinc/24/89/70/372248970.db2.gz YMAOBAZBJHENAS-OAHLLOKOSA-N 1 1 292.423 2.668 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)no1 ZINC000025439998 372300539 /nfs/dbraw/zinc/30/05/39/372300539.db2.gz BBQUUEIHSVLQPA-OAHLLOKOSA-N 1 1 299.374 2.629 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)no1 ZINC000025439998 372300546 /nfs/dbraw/zinc/30/05/46/372300546.db2.gz BBQUUEIHSVLQPA-OAHLLOKOSA-N 1 1 299.374 2.629 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@H](O)C2)c2ccccc12 ZINC000023282021 372255652 /nfs/dbraw/zinc/25/56/52/372255652.db2.gz IUVMYLWLZSPKMT-AWEZNQCLSA-N 1 1 271.360 2.805 50 0 CFAAMO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)c1 ZINC000023471801 372260334 /nfs/dbraw/zinc/26/03/34/372260334.db2.gz YGQZJYWNJRYUID-RDJZCZTQSA-N 1 1 258.409 2.972 50 0 CFAAMO CC(C)[C@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000026672052 372328028 /nfs/dbraw/zinc/32/80/28/372328028.db2.gz RVHKEXWWQVSKAI-LBPRGKRZSA-N 1 1 260.381 2.794 50 0 CFAAMO CC(C)c1cc(NC(=O)C[N@H+](C(C)C)C2CC2)on1 ZINC000026942613 372332777 /nfs/dbraw/zinc/33/27/77/372332777.db2.gz OLWVULDXLRWXJW-UHFFFAOYSA-N 1 1 265.357 2.609 50 0 CFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccsc1 ZINC000027334821 372338855 /nfs/dbraw/zinc/33/88/55/372338855.db2.gz PZQPAOVJGTWLCW-CYBMUJFWSA-N 1 1 290.388 2.908 50 0 CFAAMO COc1ccc(C)cc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000027367606 372341730 /nfs/dbraw/zinc/34/17/30/372341730.db2.gz BKOKFFXMPANAKR-UHFFFAOYSA-N 1 1 298.386 2.735 50 0 CFAAMO C[N@@H+](CCCNC(=O)/C=C/c1ccco1)Cc1ccccc1 ZINC000032902648 372473263 /nfs/dbraw/zinc/47/32/63/372473263.db2.gz NIXJNYDXBLYEKD-ZHACJKMWSA-N 1 1 298.386 2.931 50 0 CFAAMO COCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000032917448 372476573 /nfs/dbraw/zinc/47/65/73/372476573.db2.gz SNEAWWZXTLDJDF-UHFFFAOYSA-N 1 1 258.159 2.527 50 0 CFAAMO C[N@H+]1CC[C@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000032500608 372441391 /nfs/dbraw/zinc/44/13/91/372441391.db2.gz PNABFEJJPYBPHV-AWEZNQCLSA-N 1 1 271.364 2.664 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000032870880 372470161 /nfs/dbraw/zinc/47/01/61/372470161.db2.gz GWMHXVCEYOXNMH-CQSZACIVSA-N 1 1 283.375 2.894 50 0 CFAAMO C[C@]12CC3CC([C@H](O)C[NH+]4CCOCC4)(C1)C[C@@](C)(C3)C2 ZINC000034065342 372504751 /nfs/dbraw/zinc/50/47/51/372504751.db2.gz YPJDTIFSLVJTDN-MFJUZZNBSA-N 1 1 293.451 2.676 50 0 CFAAMO Cn1cccc1C(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035018925 372528848 /nfs/dbraw/zinc/52/88/48/372528848.db2.gz NFNNGSVLJPULFU-UONOGXRCSA-N 1 1 260.381 2.720 50 0 CFAAMO CCC[N@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036100220 372559321 /nfs/dbraw/zinc/55/93/21/372559321.db2.gz WFEIAIDBWKHTIF-MRXNPFEDSA-N 1 1 295.423 2.693 50 0 CFAAMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000036907736 372610052 /nfs/dbraw/zinc/61/00/52/372610052.db2.gz WFPZAPNLWPQIOM-WWGRRREGSA-N 1 1 264.388 2.687 50 0 CFAAMO CC[N@H+]1CC[C@@H](CNCc2cc3cccc(OC)c3o2)C1 ZINC000037644470 372681258 /nfs/dbraw/zinc/68/12/58/372681258.db2.gz HLWWWELPILXENL-ZDUSSCGKSA-N 1 1 288.391 2.873 50 0 CFAAMO CC[C@H]1CCC[N@@H+](CCn2c3ccccc3oc2=O)C1 ZINC000042145742 372878435 /nfs/dbraw/zinc/87/84/35/372878435.db2.gz OXBASCVPQQSIIY-ZDUSSCGKSA-N 1 1 274.364 2.717 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000046878889 373065830 /nfs/dbraw/zinc/06/58/30/373065830.db2.gz AVQOSYPKWBCQLL-LLVKDONJSA-N 1 1 298.789 2.941 50 0 CFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000048275299 373158550 /nfs/dbraw/zinc/15/85/50/373158550.db2.gz GMIUUGBXDSNFRF-AWEZNQCLSA-N 1 1 298.430 2.780 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC000048354047 373169352 /nfs/dbraw/zinc/16/93/52/373169352.db2.gz RECPFWMOMRCLQH-LLVKDONJSA-N 1 1 284.762 2.693 50 0 CFAAMO COC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000048054543 373141684 /nfs/dbraw/zinc/14/16/84/373141684.db2.gz UPMSJPMKHGTBGS-UHFFFAOYSA-N 1 1 287.363 2.656 50 0 CFAAMO CC(C)N1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000049825178 373319303 /nfs/dbraw/zinc/31/93/03/373319303.db2.gz CBYLFRIKKWQABO-UHFFFAOYSA-N 1 1 276.424 2.918 50 0 CFAAMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)Cn1cccn1 ZINC000051876693 373414671 /nfs/dbraw/zinc/41/46/71/373414671.db2.gz ILXBEWDZUNQOCC-QAPCUYQASA-N 1 1 299.418 2.545 50 0 CFAAMO Cn1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1=O ZINC000052161774 373439449 /nfs/dbraw/zinc/43/94/49/373439449.db2.gz OBDVXKAKLYCERN-UHFFFAOYSA-N 1 1 286.350 2.689 50 0 CFAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)on1 ZINC000054225368 373506374 /nfs/dbraw/zinc/50/63/74/373506374.db2.gz HKBDFWLQPHQUKP-ZFWWWQNUSA-N 1 1 299.374 2.548 50 0 CFAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cccnc2)c1 ZINC000055357627 373549705 /nfs/dbraw/zinc/54/97/05/373549705.db2.gz DTETYWWFJNLILE-CQSZACIVSA-N 1 1 255.365 2.848 50 0 CFAAMO Cc1ncc(C[NH+]2CCC(c3ccn[nH]3)CC2)s1 ZINC000058267246 373638539 /nfs/dbraw/zinc/63/85/39/373638539.db2.gz UNLDXFONKXBHOG-UHFFFAOYSA-N 1 1 262.382 2.554 50 0 CFAAMO CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058282536 373641165 /nfs/dbraw/zinc/64/11/65/373641165.db2.gz SHOVJMYDSPCPJM-OAHLLOKOSA-N 1 1 260.381 2.567 50 0 CFAAMO COc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000058323807 373644791 /nfs/dbraw/zinc/64/47/91/373644791.db2.gz ZKQHIMXQARRQSK-ZDUSSCGKSA-N 1 1 291.395 2.547 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1cccnc1 ZINC000058323033 373644958 /nfs/dbraw/zinc/64/49/58/373644958.db2.gz SPVVTEKNQDRFPB-AWEZNQCLSA-N 1 1 287.388 2.919 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1cccnc1 ZINC000058323033 373644960 /nfs/dbraw/zinc/64/49/60/373644960.db2.gz SPVVTEKNQDRFPB-AWEZNQCLSA-N 1 1 287.388 2.919 50 0 CFAAMO Cc1nc2ccccc2n1C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063883109 373817562 /nfs/dbraw/zinc/81/75/62/373817562.db2.gz VFAXYMRWSAAODX-QZTJIDSGSA-N 1 1 299.418 2.724 50 0 CFAAMO Cc1[nH+]ccn1Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000064551243 373829025 /nfs/dbraw/zinc/82/90/25/373829025.db2.gz GRWSVAHGRINNBZ-UHFFFAOYSA-N 1 1 274.711 2.943 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000065497382 373879193 /nfs/dbraw/zinc/87/91/93/373879193.db2.gz XWIBCLLRUOHOSS-GUYCJALGSA-N 1 1 251.395 2.526 50 0 CFAAMO CCN(Cc1ccc(C(C)=O)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000065375407 373861987 /nfs/dbraw/zinc/86/19/87/373861987.db2.gz QTEHUXFSJCASEI-MRXNPFEDSA-N 1 1 274.408 2.663 50 0 CFAAMO C[C@H](c1ccon1)[N@H+](C)CCC(=O)NC1CCCCCC1 ZINC000065375459 373862126 /nfs/dbraw/zinc/86/21/26/373862126.db2.gz WKPVDYBPISYPHQ-CYBMUJFWSA-N 1 1 293.411 2.897 50 0 CFAAMO C[C@H](c1ccon1)[N@@H+](C)CCC(=O)NC1CCCCCC1 ZINC000065375459 373862133 /nfs/dbraw/zinc/86/21/33/373862133.db2.gz WKPVDYBPISYPHQ-CYBMUJFWSA-N 1 1 293.411 2.897 50 0 CFAAMO C[N@@H+]1CC=C(CCNC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000065386260 373863733 /nfs/dbraw/zinc/86/37/33/373863733.db2.gz ZPKDMOIZZSPVGM-UHFFFAOYSA-N 1 1 294.786 2.509 50 0 CFAAMO Cc1nc[nH]c1C[N@H+](C)Cc1ccccc1-n1cccn1 ZINC000065396570 373865754 /nfs/dbraw/zinc/86/57/54/373865754.db2.gz AZGRGGOXSTWGTB-UHFFFAOYSA-N 1 1 281.363 2.536 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065453327 373873553 /nfs/dbraw/zinc/87/35/53/373873553.db2.gz MRHJOPLICFPIJJ-INIZCTEOSA-N 1 1 286.419 2.910 50 0 CFAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1sccc1C ZINC000066137741 373915071 /nfs/dbraw/zinc/91/50/71/373915071.db2.gz BOQLLPAEKDRJSX-NSHDSACASA-N 1 1 254.399 2.517 50 0 CFAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cnn2cccnc12 ZINC000067868122 374010925 /nfs/dbraw/zinc/01/09/25/374010925.db2.gz AYWGWJVQSMZISL-NSHDSACASA-N 1 1 272.377 2.984 50 0 CFAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CC3CC3)C2)cc1 ZINC000067869286 374013476 /nfs/dbraw/zinc/01/34/76/374013476.db2.gz FSMFOWGININOGH-KRWDZBQOSA-N 1 1 286.419 2.733 50 0 CFAAMO Cc1cccc(-c2ncc(C[N@H+](C)CC3(CO)CC3)cn2)c1 ZINC000067895253 374014046 /nfs/dbraw/zinc/01/40/46/374014046.db2.gz HBEURWKWPUSBDD-UHFFFAOYSA-N 1 1 297.402 2.656 50 0 CFAAMO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000067458973 373978079 /nfs/dbraw/zinc/97/80/79/373978079.db2.gz LMDQXJSAZWYPAX-LLVKDONJSA-N 1 1 278.425 2.511 50 0 CFAAMO COc1cncc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000067642452 373988213 /nfs/dbraw/zinc/98/82/13/373988213.db2.gz OLHKDFWHODFMTE-UHFFFAOYSA-N 1 1 284.359 2.589 50 0 CFAAMO CN1CCC[C@@]2(CC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1=O ZINC000067678310 373992296 /nfs/dbraw/zinc/99/22/96/373992296.db2.gz PTUIDDDQMZLBDC-SFHVURJKSA-N 1 1 297.402 2.612 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCc2cccs2)n1 ZINC000069600283 374079136 /nfs/dbraw/zinc/07/91/36/374079136.db2.gz JHQQXWRIJKCKPP-CQSZACIVSA-N 1 1 290.436 2.664 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCc2cccs2)n1 ZINC000069600281 374079249 /nfs/dbraw/zinc/07/92/49/374079249.db2.gz JHQQXWRIJKCKPP-AWEZNQCLSA-N 1 1 290.436 2.664 50 0 CFAAMO CC(C)C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000068334827 374028135 /nfs/dbraw/zinc/02/81/35/374028135.db2.gz GNOOCJVMEQNCRO-GFCCVEGCSA-N 1 1 282.815 2.933 50 0 CFAAMO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1 ZINC000068692912 374036382 /nfs/dbraw/zinc/03/63/82/374036382.db2.gz HNMXPIBGDPNBHL-QGZVFWFLSA-N 1 1 260.425 2.939 50 0 CFAAMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1 ZINC000068692912 374036389 /nfs/dbraw/zinc/03/63/89/374036389.db2.gz HNMXPIBGDPNBHL-QGZVFWFLSA-N 1 1 260.425 2.939 50 0 CFAAMO CCc1noc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000069414471 374059940 /nfs/dbraw/zinc/05/99/40/374059940.db2.gz SSUJEFGYZHVLSH-CQSZACIVSA-N 1 1 271.364 2.839 50 0 CFAAMO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069654896 374082550 /nfs/dbraw/zinc/08/25/50/374082550.db2.gz RJOTVPACHXASPL-WBVHZDCISA-N 1 1 286.419 2.877 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cccs1 ZINC000069490777 374068016 /nfs/dbraw/zinc/06/80/16/374068016.db2.gz VKCZSOYHFAWKHT-GJZGRUSLSA-N 1 1 292.448 2.766 50 0 CFAAMO Cc1ncc2c(n1)C[N@H+](CCO[C@@H]1CCCC[C@@H]1C)CC2 ZINC000069520639 374069509 /nfs/dbraw/zinc/06/95/09/374069509.db2.gz OKMNXOKRHKNCBJ-SUMWQHHRSA-N 1 1 289.423 2.738 50 0 CFAAMO Cc1ncc2c(n1)C[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)CC2 ZINC000069520639 374069516 /nfs/dbraw/zinc/06/95/16/374069516.db2.gz OKMNXOKRHKNCBJ-SUMWQHHRSA-N 1 1 289.423 2.738 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000069518034 374069802 /nfs/dbraw/zinc/06/98/02/374069802.db2.gz ABJHTZWHILESBO-SJORKVTESA-N 1 1 286.419 2.704 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1 ZINC000069569004 374074166 /nfs/dbraw/zinc/07/41/66/374074166.db2.gz XBYPFVSHKRWVLM-AWEZNQCLSA-N 1 1 281.444 2.739 50 0 CFAAMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069569564 374074387 /nfs/dbraw/zinc/07/43/87/374074387.db2.gz JQVZWPFQFLTYMJ-HIFRSBDPSA-N 1 1 274.408 2.779 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC2CCCC2)n1 ZINC000069582785 374076942 /nfs/dbraw/zinc/07/69/42/374076942.db2.gz MBEBWBSZRFLVLJ-OAHLLOKOSA-N 1 1 262.401 2.550 50 0 CFAAMO c1cnn(CC[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000069926783 374109535 /nfs/dbraw/zinc/10/95/35/374109535.db2.gz LVJOQUSJWCNGFJ-UHFFFAOYSA-N 1 1 290.417 2.858 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000069949413 374111764 /nfs/dbraw/zinc/11/17/64/374111764.db2.gz VIQGEPDFWXWTDW-HNNXBMFYSA-N 1 1 289.354 2.695 50 0 CFAAMO C[C@H]([C@H](C)[NH2+]Cc1ncc(C(C)(C)C)o1)n1cccn1 ZINC000069979359 374114035 /nfs/dbraw/zinc/11/40/35/374114035.db2.gz XNOIGMKQNVQWFY-NWDGAFQWSA-N 1 1 276.384 2.908 50 0 CFAAMO CCOCC[N@H+]1CCN(C/C=C/c2ccccc2)C[C@@H]1C ZINC000069707002 374087382 /nfs/dbraw/zinc/08/73/82/374087382.db2.gz QGSPMAVROBEOBD-JEJOPICUSA-N 1 1 288.435 2.742 50 0 CFAAMO CC(C)CCc1noc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)n1 ZINC000069779488 374095781 /nfs/dbraw/zinc/09/57/81/374095781.db2.gz IJONRLAGXQETTO-QWHCGFSZSA-N 1 1 291.399 2.594 50 0 CFAAMO CCOCCN1CC[N@@H+](CC2CCCCC2)C[C@@H]1C ZINC000069840588 374102121 /nfs/dbraw/zinc/10/21/21/374102121.db2.gz XCJITTMHMVXRTN-HNNXBMFYSA-N 1 1 268.445 2.609 50 0 CFAAMO c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2c[nH]cn2)n1 ZINC000071775940 374223490 /nfs/dbraw/zinc/22/34/90/374223490.db2.gz GOLHPWNBNUGNQL-OAHLLOKOSA-N 1 1 293.374 2.720 50 0 CFAAMO CN(C[C@H]1CCC[N@H+]1C)c1nccc(C2CCCC2)n1 ZINC000071776486 374223739 /nfs/dbraw/zinc/22/37/39/374223739.db2.gz AHGVSCDZNROZPA-CQSZACIVSA-N 1 1 274.412 2.665 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000071792382 374225905 /nfs/dbraw/zinc/22/59/05/374225905.db2.gz FIYIDQPTORBSOZ-CYBMUJFWSA-N 1 1 256.353 2.635 50 0 CFAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875808 374228214 /nfs/dbraw/zinc/22/82/14/374228214.db2.gz PGDHPIMOZYMZKP-INIZCTEOSA-N 1 1 295.390 2.504 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)c3ccncc3)C2)no1 ZINC000072277654 374239817 /nfs/dbraw/zinc/23/98/17/374239817.db2.gz BTCSETGEUFDXNL-SMDDNHRTSA-N 1 1 272.352 2.714 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000072293068 374241623 /nfs/dbraw/zinc/24/16/23/374241623.db2.gz GCQVDCAGBDVYGC-NSHDSACASA-N 1 1 250.317 2.557 50 0 CFAAMO Cc1cc(C[N@H+]2CCCC[C@@H]2Cn2nc(C)cc2C)on1 ZINC000075131851 374459422 /nfs/dbraw/zinc/45/94/22/374459422.db2.gz HEXCVGDFXHTBAO-OAHLLOKOSA-N 1 1 288.395 2.851 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000075131865 374459738 /nfs/dbraw/zinc/45/97/38/374459738.db2.gz YOUSWEFISQGCST-KRWDZBQOSA-N 1 1 284.407 2.950 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@@H+]2CCc2cccs2)no1 ZINC000075573128 374493201 /nfs/dbraw/zinc/49/32/01/374493201.db2.gz BGKPHVLVLKDQPI-LBPRGKRZSA-N 1 1 263.366 2.819 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+]2CCc2cccs2)no1 ZINC000075573128 374493208 /nfs/dbraw/zinc/49/32/08/374493208.db2.gz BGKPHVLVLKDQPI-LBPRGKRZSA-N 1 1 263.366 2.819 50 0 CFAAMO C[N@H+](Cc1cn2ccccc2n1)[C@@H](CCO)c1ccccc1 ZINC000075897593 374511026 /nfs/dbraw/zinc/51/10/26/374511026.db2.gz UGCAEXUXJZMCGX-KRWDZBQOSA-N 1 1 295.386 2.890 50 0 CFAAMO C[N@@H+](Cc1cn2ccccc2n1)[C@@H](CCO)c1ccccc1 ZINC000075897593 374511030 /nfs/dbraw/zinc/51/10/30/374511030.db2.gz UGCAEXUXJZMCGX-KRWDZBQOSA-N 1 1 295.386 2.890 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000079014057 374582567 /nfs/dbraw/zinc/58/25/67/374582567.db2.gz JTJDXFQCZAQEEV-LBPRGKRZSA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(Br)c1 ZINC000079014057 374582572 /nfs/dbraw/zinc/58/25/72/374582572.db2.gz JTJDXFQCZAQEEV-LBPRGKRZSA-N 1 1 288.160 2.545 50 0 CFAAMO Cc1ccc[nH+]c1NCc1ccc2c(c1)OCCO2 ZINC000083415525 374742617 /nfs/dbraw/zinc/74/26/17/374742617.db2.gz LVGFAXKYWNPBPY-UHFFFAOYSA-N 1 1 256.305 2.773 50 0 CFAAMO CCCN1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000087709189 374828242 /nfs/dbraw/zinc/82/82/42/374828242.db2.gz GPACHYKNZQBJDA-HZPDHXFCSA-N 1 1 280.456 2.798 50 0 CFAAMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cc[nH]n2)cc1 ZINC000084290993 374774827 /nfs/dbraw/zinc/77/48/27/374774827.db2.gz JRRREOAIFDLXTR-LBPRGKRZSA-N 1 1 281.363 2.755 50 0 CFAAMO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1nnc2n1CCCC2 ZINC000084668005 374787580 /nfs/dbraw/zinc/78/75/80/374787580.db2.gz XYXCALWSNJGFKH-LBPRGKRZSA-N 1 1 295.390 2.947 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)C2CCC(CO)CC2)s1 ZINC000089924287 374969025 /nfs/dbraw/zinc/96/90/25/374969025.db2.gz NJTDYDHFPZHDOD-UHFFFAOYSA-N 1 1 297.420 2.518 50 0 CFAAMO COCCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000089929749 374970023 /nfs/dbraw/zinc/97/00/23/374970023.db2.gz IOICSJXRRNJGTG-HNNXBMFYSA-N 1 1 296.455 2.526 50 0 CFAAMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N1C1CC1 ZINC000089834916 374959100 /nfs/dbraw/zinc/95/91/00/374959100.db2.gz SCEBQEXKOXURIY-NVXWUHKLSA-N 1 1 284.403 2.662 50 0 CFAAMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000089942808 374975123 /nfs/dbraw/zinc/97/51/23/374975123.db2.gz ODHMIEBZJPOPHE-GDBMZVCRSA-N 1 1 287.407 2.768 50 0 CFAAMO CCCc1csc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000089960467 374976383 /nfs/dbraw/zinc/97/63/83/374976383.db2.gz SAWBXOOBAGSBFA-NEPJUHHUSA-N 1 1 252.383 2.631 50 0 CFAAMO CCCC[C@H](C(N)=O)[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000089950129 374976901 /nfs/dbraw/zinc/97/69/01/374976901.db2.gz YVJQWVJXBLMPAS-OAHLLOKOSA-N 1 1 291.395 2.506 50 0 CFAAMO Cc1ccc(C)c([C@H](O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000089937497 374972575 /nfs/dbraw/zinc/97/25/75/374972575.db2.gz KUQNDSSCFWRYIV-UKRRQHHQSA-N 1 1 265.422 2.774 50 0 CFAAMO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c[nH]1 ZINC000093453520 375244138 /nfs/dbraw/zinc/24/41/38/375244138.db2.gz KOASQCOPODFFSG-MRXNPFEDSA-N 1 1 299.374 2.842 50 0 CFAAMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c[nH]1 ZINC000093315996 375210259 /nfs/dbraw/zinc/21/02/59/375210259.db2.gz KPNJTXLKOCUDMF-NSHDSACASA-N 1 1 288.347 2.700 50 0 CFAAMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093814069 375314146 /nfs/dbraw/zinc/31/41/46/375314146.db2.gz FXSIQDBZUMNEMX-MRXNPFEDSA-N 1 1 272.348 2.553 50 0 CFAAMO COc1ccccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093866168 375322817 /nfs/dbraw/zinc/32/28/17/375322817.db2.gz CEOLONMVQCHNFA-MRXNPFEDSA-N 1 1 284.359 2.744 50 0 CFAAMO Clc1cnccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000094266985 375349337 /nfs/dbraw/zinc/34/93/37/375349337.db2.gz STLKZQAMSGBZTP-GHMZBOCLSA-N 1 1 251.761 2.774 50 0 CFAAMO Cc1nccn1CC[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095496705 375461253 /nfs/dbraw/zinc/46/12/53/375461253.db2.gz HLDQBCQMZYJBRH-INIZCTEOSA-N 1 1 299.418 2.765 50 0 CFAAMO CSc1nc(-c2cccc([C@@H](C)[NH+](C)C)c2)n[nH]1 ZINC000096152737 375470133 /nfs/dbraw/zinc/47/01/33/375470133.db2.gz WDYZKHLLYIVFQZ-SECBINFHSA-N 1 1 262.382 2.816 50 0 CFAAMO Cc1cnc(NCC[C@H]2CCCC[N@@H+]2C(C)C)nc1 ZINC000095371956 375423527 /nfs/dbraw/zinc/42/35/27/375423527.db2.gz ICIXXUGKBXNYLE-CQSZACIVSA-N 1 1 262.401 2.850 50 0 CFAAMO CCCCn1ccnc1[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000095384971 375427006 /nfs/dbraw/zinc/42/70/06/375427006.db2.gz NMEIPKZVWCUFHN-CQSZACIVSA-N 1 1 265.401 2.509 50 0 CFAAMO COc1ccc2c(c1)CC[N@@H+](Cc1nnc(C3CC3)o1)CC2 ZINC000095390389 375429085 /nfs/dbraw/zinc/42/90/85/375429085.db2.gz DOZLSNCGUBMLBQ-UHFFFAOYSA-N 1 1 299.374 2.556 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](Cc1nnc(C3CC3)o1)CC2 ZINC000095390389 375429087 /nfs/dbraw/zinc/42/90/87/375429087.db2.gz DOZLSNCGUBMLBQ-UHFFFAOYSA-N 1 1 299.374 2.556 50 0 CFAAMO CCc1cc(=O)[nH]c(C[NH2+]C2(c3ccccc3)CCC2)n1 ZINC000095412377 375435805 /nfs/dbraw/zinc/43/58/05/375435805.db2.gz CXURNSUWDHAHJJ-UHFFFAOYSA-N 1 1 283.375 2.501 50 0 CFAAMO CCNC(=O)C[NH2+][C@H](CC)c1ccccc1Br ZINC000095419406 375439299 /nfs/dbraw/zinc/43/92/99/375439299.db2.gz PKIWQITWDGRNJZ-GFCCVEGCSA-N 1 1 299.212 2.626 50 0 CFAAMO CC[N@H+](Cc1ccncc1)Cc1cccc2c1OCCO2 ZINC000095430666 375445236 /nfs/dbraw/zinc/44/52/36/375445236.db2.gz IWNFKSMIIBXWRA-UHFFFAOYSA-N 1 1 284.359 2.875 50 0 CFAAMO CC[N@@H+](Cc1ccncc1)Cc1cccc2c1OCCO2 ZINC000095430666 375445240 /nfs/dbraw/zinc/44/52/40/375445240.db2.gz IWNFKSMIIBXWRA-UHFFFAOYSA-N 1 1 284.359 2.875 50 0 CFAAMO C[NH+](C)CC(=O)Nc1ccc(NCC(C)(C)C)cc1 ZINC000095429095 375445792 /nfs/dbraw/zinc/44/57/92/375445792.db2.gz HGMSKXOQUYDAGI-UHFFFAOYSA-N 1 1 263.385 2.645 50 0 CFAAMO CS[C@@H]1CCCC[N@@H+](CCc2ccncc2)C1 ZINC000095432364 375446612 /nfs/dbraw/zinc/44/66/12/375446612.db2.gz YWYVHWKCDXTVCY-CQSZACIVSA-N 1 1 250.411 2.842 50 0 CFAAMO Cc1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)no1 ZINC000095437979 375449522 /nfs/dbraw/zinc/44/95/22/375449522.db2.gz HDRCMDLBDOCLCQ-KRWDZBQOSA-N 1 1 286.375 2.756 50 0 CFAAMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)no1 ZINC000095437979 375449527 /nfs/dbraw/zinc/44/95/27/375449527.db2.gz HDRCMDLBDOCLCQ-KRWDZBQOSA-N 1 1 286.375 2.756 50 0 CFAAMO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cn2ccsc2n1 ZINC000097160102 375534294 /nfs/dbraw/zinc/53/42/94/375534294.db2.gz SXPAVYOVSKSSLJ-UHFFFAOYSA-N 1 1 289.408 2.706 50 0 CFAAMO COc1ccc(CNc2cccc(C)[nH+]2)cc1NC(C)=O ZINC000097163278 375535521 /nfs/dbraw/zinc/53/55/21/375535521.db2.gz XAXXYSVBPMHNQO-UHFFFAOYSA-N 1 1 285.347 2.969 50 0 CFAAMO CC(C)c1[nH+]ccn1CC(=O)NCCC(C)(C)C ZINC000097053412 375505639 /nfs/dbraw/zinc/50/56/39/375505639.db2.gz JOBAMLXLYNUPLH-UHFFFAOYSA-N 1 1 251.374 2.559 50 0 CFAAMO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000097056741 375505991 /nfs/dbraw/zinc/50/59/91/375505991.db2.gz CPKHVTCONKBGEF-LBPRGKRZSA-N 1 1 280.387 2.951 50 0 CFAAMO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000097056741 375505996 /nfs/dbraw/zinc/50/59/96/375505996.db2.gz CPKHVTCONKBGEF-LBPRGKRZSA-N 1 1 280.387 2.951 50 0 CFAAMO Cc1cn2c(C[N@@H+](C)CCC(C)(C)O)c(C)nc2s1 ZINC000097086156 375513393 /nfs/dbraw/zinc/51/33/93/375513393.db2.gz SUMHCSIFYDBZAI-UHFFFAOYSA-N 1 1 281.425 2.605 50 0 CFAAMO COc1cccc([C@H]2CCC[N@H+]2CCC2OCCO2)c1 ZINC000097094922 375515277 /nfs/dbraw/zinc/51/52/77/375515277.db2.gz SYZZEQDJQWOFRO-OAHLLOKOSA-N 1 1 277.364 2.595 50 0 CFAAMO Cc1cccc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[nH+]1 ZINC000097096701 375516749 /nfs/dbraw/zinc/51/67/49/375516749.db2.gz SAHLEZIJYZRYLJ-AWEZNQCLSA-N 1 1 289.423 2.769 50 0 CFAAMO CCCn1nc(C)c(C[N@H+]2CCCSCC2)c1C ZINC000097113632 375524311 /nfs/dbraw/zinc/52/43/11/375524311.db2.gz KHQGZMRQUBKRBG-UHFFFAOYSA-N 1 1 267.442 2.849 50 0 CFAAMO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139136 375527389 /nfs/dbraw/zinc/52/73/89/375527389.db2.gz RSAMZGGDQUVMAY-GXTWGEPZSA-N 1 1 277.364 2.742 50 0 CFAAMO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139136 375527394 /nfs/dbraw/zinc/52/73/94/375527394.db2.gz RSAMZGGDQUVMAY-GXTWGEPZSA-N 1 1 277.364 2.742 50 0 CFAAMO COc1ccccc1/C=C/C[N@@H+]1CCCC2(C1)OCCO2 ZINC000097376988 375555418 /nfs/dbraw/zinc/55/54/18/375555418.db2.gz RIXOHTXCLXQIDQ-QPJJXVBHSA-N 1 1 289.375 2.547 50 0 CFAAMO COc1ccccc1/C=C/C[N@H+]1CCCC2(C1)OCCO2 ZINC000097376988 375555429 /nfs/dbraw/zinc/55/54/29/375555429.db2.gz RIXOHTXCLXQIDQ-QPJJXVBHSA-N 1 1 289.375 2.547 50 0 CFAAMO CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C1CC1 ZINC000097478320 375566392 /nfs/dbraw/zinc/56/63/92/375566392.db2.gz WHCLRRDOIYUSTN-UHFFFAOYSA-N 1 1 280.334 2.518 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCc1ccc(Cl)cc1 ZINC000097579018 375570169 /nfs/dbraw/zinc/57/01/69/375570169.db2.gz GMUBBWICKDROBV-OAHLLOKOSA-N 1 1 294.826 2.873 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000102476391 375677461 /nfs/dbraw/zinc/67/74/61/375677461.db2.gz KYLSLCBHYHRWSX-CHWSQXEVSA-N 1 1 288.391 2.948 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000102476391 375677467 /nfs/dbraw/zinc/67/74/67/375677467.db2.gz KYLSLCBHYHRWSX-CHWSQXEVSA-N 1 1 288.391 2.948 50 0 CFAAMO CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(CN(C)C)cs1)C2 ZINC000102521313 375678359 /nfs/dbraw/zinc/67/83/59/375678359.db2.gz SGSNAPCGBQJNJW-FOLVSLTJSA-N 1 1 294.464 2.667 50 0 CFAAMO CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(CN(C)C)cs1)C2 ZINC000102521313 375678365 /nfs/dbraw/zinc/67/83/65/375678365.db2.gz SGSNAPCGBQJNJW-FOLVSLTJSA-N 1 1 294.464 2.667 50 0 CFAAMO CCCCc1noc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000132533281 377850312 /nfs/dbraw/zinc/85/03/12/377850312.db2.gz RTMFGIZBKFXPPM-LLVKDONJSA-N 1 1 281.400 2.848 50 0 CFAAMO C[C@H](CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499340 194013043 /nfs/dbraw/zinc/01/30/43/194013043.db2.gz NGHNZZFELNBHNY-ZBFHGGJFSA-N 1 1 295.448 2.689 50 0 CFAAMO C[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000162336043 378906806 /nfs/dbraw/zinc/90/68/06/378906806.db2.gz LLKJWTTWVDYEQH-AAEUAGOBSA-N 1 1 279.384 2.632 50 0 CFAAMO CCCc1noc(C[N@H+]2CCCC[C@@H](CCOC)C2)n1 ZINC000170597104 379125106 /nfs/dbraw/zinc/12/51/06/379125106.db2.gz MQXXOFWUESQEJA-ZDUSSCGKSA-N 1 1 281.400 2.661 50 0 CFAAMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)CCOC(C)C ZINC000170606431 379126401 /nfs/dbraw/zinc/12/64/01/379126401.db2.gz VZECPGIGXOOZLN-LSDHHAIUSA-N 1 1 257.418 2.817 50 0 CFAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N(C)C ZINC000170607730 379127667 /nfs/dbraw/zinc/12/76/67/379127667.db2.gz RJWPONFYQFTBAG-LBPRGKRZSA-N 1 1 266.410 2.536 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc3sccc3[nH]2)C1 ZINC000170610234 379128680 /nfs/dbraw/zinc/12/86/80/379128680.db2.gz JDVVGROPTUTCIK-NSHDSACASA-N 1 1 291.420 2.691 50 0 CFAAMO C[C@@H](c1nccc(N)n1)[N@@H+](C)CCCc1ccccc1 ZINC000408523347 380940311 /nfs/dbraw/zinc/94/03/11/380940311.db2.gz IXBKJDARMRNZDS-ZDUSSCGKSA-N 1 1 270.380 2.515 50 0 CFAAMO Cc1nccn1C[C@H]1CCC[N@H+]1CCC(=O)c1ccccc1 ZINC000182404994 381083836 /nfs/dbraw/zinc/08/38/36/381083836.db2.gz VRIKBHQGLZJQFN-QGZVFWFLSA-N 1 1 297.402 2.929 50 0 CFAAMO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000371412949 381619167 /nfs/dbraw/zinc/61/91/67/381619167.db2.gz ZIUWVDXMJSXPTK-UHFFFAOYSA-N 1 1 290.388 2.689 50 0 CFAAMO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000371412949 381619175 /nfs/dbraw/zinc/61/91/75/381619175.db2.gz ZIUWVDXMJSXPTK-UHFFFAOYSA-N 1 1 290.388 2.689 50 0 CFAAMO O=C(c1ccco1)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000371422791 381623523 /nfs/dbraw/zinc/62/35/23/381623523.db2.gz OQEWFHMAZZHADX-UHFFFAOYSA-N 1 1 290.388 2.689 50 0 CFAAMO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000371422791 381623531 /nfs/dbraw/zinc/62/35/31/381623531.db2.gz OQEWFHMAZZHADX-UHFFFAOYSA-N 1 1 290.388 2.689 50 0 CFAAMO CCC[C@]1(CO)CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000344228022 382214595 /nfs/dbraw/zinc/21/45/95/382214595.db2.gz BASDVMNFSCBISJ-KRWDZBQOSA-N 1 1 293.407 2.559 50 0 CFAAMO COC(=O)CCCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000328597179 382551613 /nfs/dbraw/zinc/55/16/13/382551613.db2.gz FHBUVBMGEZCIKM-JSGCOSHPSA-N 1 1 297.420 2.853 50 0 CFAAMO COC(=O)CCCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000328597179 382551618 /nfs/dbraw/zinc/55/16/18/382551618.db2.gz FHBUVBMGEZCIKM-JSGCOSHPSA-N 1 1 297.420 2.853 50 0 CFAAMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000191175165 382694451 /nfs/dbraw/zinc/69/44/51/382694451.db2.gz CUSXYZKLIMFNIR-GFCCVEGCSA-N 1 1 292.810 2.863 50 0 CFAAMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C)n1 ZINC000575607177 382775226 /nfs/dbraw/zinc/77/52/26/382775226.db2.gz WJOHZPCXFONQKS-FUNVUKJBSA-N 1 1 252.383 2.593 50 0 CFAAMO CSc1cccc(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000215055235 382777362 /nfs/dbraw/zinc/77/73/62/382777362.db2.gz DFTWTWNPGUHLNH-CQSZACIVSA-N 1 1 262.422 2.689 50 0 CFAAMO Cc1ccc(F)c(CNC(=O)C[C@H]2CCCC[N@@H+]2C)c1F ZINC000215351680 382778397 /nfs/dbraw/zinc/77/83/97/382778397.db2.gz MPRONOBXSSSBSL-GFCCVEGCSA-N 1 1 296.361 2.764 50 0 CFAAMO COc1cc2c(cc1C[N@@H+](C)CCc1cnn(C)c1)CCC2 ZINC000215395265 382778563 /nfs/dbraw/zinc/77/85/63/382778563.db2.gz CIQYZNXPZOYZPD-UHFFFAOYSA-N 1 1 299.418 2.592 50 0 CFAAMO OCC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000215472381 382779292 /nfs/dbraw/zinc/77/92/92/382779292.db2.gz HXHZGTPTGKIIMJ-HNNXBMFYSA-N 1 1 258.365 2.905 50 0 CFAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779810 /nfs/dbraw/zinc/77/98/10/382779810.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 1 1 294.414 2.534 50 0 CFAAMO COCCN1CC[C@H](C[N@H+](C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779817 /nfs/dbraw/zinc/77/98/17/382779817.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 1 1 294.414 2.534 50 0 CFAAMO COCCN1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779819 /nfs/dbraw/zinc/77/98/19/382779819.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 1 1 294.414 2.534 50 0 CFAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779917 /nfs/dbraw/zinc/77/99/17/382779917.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 1 1 294.414 2.534 50 0 CFAAMO COCCN1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779927 /nfs/dbraw/zinc/77/99/27/382779927.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 1 1 294.414 2.534 50 0 CFAAMO COCCN1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779929 /nfs/dbraw/zinc/77/99/29/382779929.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 1 1 294.414 2.534 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1coc(-c3ccccc3)n1)C2 ZINC000215726811 382780481 /nfs/dbraw/zinc/78/04/81/382780481.db2.gz GBEJEMGRXNXPFC-WMLDXEAASA-N 1 1 297.402 2.868 50 0 CFAAMO CN(C)c1ccc(C[N@@H+](C)CCC[C@H]2CCCO2)cn1 ZINC000215837343 382780677 /nfs/dbraw/zinc/78/06/77/382780677.db2.gz ARWXPSHLTJQOMA-HNNXBMFYSA-N 1 1 277.412 2.539 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2ccc3cccc(OC)c3n2)C1 ZINC000215957551 382781342 /nfs/dbraw/zinc/78/13/42/382781342.db2.gz DFZMJJJXTMTPDO-CYBMUJFWSA-N 1 1 286.375 2.712 50 0 CFAAMO CCCCSc1ncc(C[N@@H+]2CCC[C@@H](OC)C2)cn1 ZINC000215999782 382781382 /nfs/dbraw/zinc/78/13/82/382781382.db2.gz UFZSKIRCWLOUHR-CQSZACIVSA-N 1 1 295.452 2.980 50 0 CFAAMO CCCCSc1ncc(C[N@H+]2CCC[C@@H](OC)C2)cn1 ZINC000215999782 382781383 /nfs/dbraw/zinc/78/13/83/382781383.db2.gz UFZSKIRCWLOUHR-CQSZACIVSA-N 1 1 295.452 2.980 50 0 CFAAMO COCCC[C@@H]1CCC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000216251490 382782650 /nfs/dbraw/zinc/78/26/50/382782650.db2.gz LYOYIVQKANSBSY-AWEZNQCLSA-N 1 1 265.401 2.665 50 0 CFAAMO Cc1cc(C[N@@H+](C)CC[C@H](O)c2ccccc2)on1 ZINC000216375701 382782918 /nfs/dbraw/zinc/78/29/18/382782918.db2.gz HSGZSSURWLHSFZ-HNNXBMFYSA-N 1 1 260.337 2.539 50 0 CFAAMO CCOC[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(COC)c1 ZINC000216347700 382783058 /nfs/dbraw/zinc/78/30/58/382783058.db2.gz SAEGMGKKSLABER-INIZCTEOSA-N 1 1 293.407 2.843 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2CCCO)c(F)c1 ZINC000216347878 382783212 /nfs/dbraw/zinc/78/32/12/382783212.db2.gz KDSVAEGMLLHKOO-CQSZACIVSA-N 1 1 281.371 2.961 50 0 CFAAMO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000216483338 382783639 /nfs/dbraw/zinc/78/36/39/382783639.db2.gz OFIPQNYHNIFBQZ-UHFFFAOYSA-N 1 1 266.348 2.898 50 0 CFAAMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000216483338 382783641 /nfs/dbraw/zinc/78/36/41/382783641.db2.gz OFIPQNYHNIFBQZ-UHFFFAOYSA-N 1 1 266.348 2.898 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2cccc3cccnc32)[C@@H](C)CO1 ZINC000225220031 382813429 /nfs/dbraw/zinc/81/34/29/382813429.db2.gz KJJQPHAQWNARPC-STQMWFEESA-N 1 1 256.349 2.844 50 0 CFAAMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000225395426 382815329 /nfs/dbraw/zinc/81/53/29/382815329.db2.gz WPJMRVUKIFGGLF-VHSXEESVSA-N 1 1 288.185 2.635 50 0 CFAAMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000225395426 382815330 /nfs/dbraw/zinc/81/53/30/382815330.db2.gz WPJMRVUKIFGGLF-VHSXEESVSA-N 1 1 288.185 2.635 50 0 CFAAMO COCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225455257 382816435 /nfs/dbraw/zinc/81/64/35/382816435.db2.gz TYBPNFXATZZAPD-CYBMUJFWSA-N 1 1 287.762 2.716 50 0 CFAAMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225455257 382816437 /nfs/dbraw/zinc/81/64/37/382816437.db2.gz TYBPNFXATZZAPD-CYBMUJFWSA-N 1 1 287.762 2.716 50 0 CFAAMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(F)c1 ZINC000225495700 382817217 /nfs/dbraw/zinc/81/72/17/382817217.db2.gz ZHVWFTUANXTCLZ-HNNXBMFYSA-N 1 1 276.355 2.572 50 0 CFAAMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cccn1 ZINC000229244781 382850948 /nfs/dbraw/zinc/85/09/48/382850948.db2.gz ILXBEWDZUNQOCC-MAUKXSAKSA-N 1 1 299.418 2.545 50 0 CFAAMO CNC(=O)[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000225638784 382819204 /nfs/dbraw/zinc/81/92/04/382819204.db2.gz SALUMISWDIVABF-OAHLLOKOSA-N 1 1 266.429 2.805 50 0 CFAAMO FC(F)Cn1ncnc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000225614149 382819245 /nfs/dbraw/zinc/81/92/45/382819245.db2.gz FRUIYOVYNJFQKA-CYBMUJFWSA-N 1 1 292.333 2.533 50 0 CFAAMO FC(F)Cn1ncnc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000225614149 382819248 /nfs/dbraw/zinc/81/92/48/382819248.db2.gz FRUIYOVYNJFQKA-CYBMUJFWSA-N 1 1 292.333 2.533 50 0 CFAAMO NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229209818 382851075 /nfs/dbraw/zinc/85/10/75/382851075.db2.gz JWRYWZCCLVWTRM-IAGOWNOFSA-N 1 1 280.371 2.703 50 0 CFAAMO CCCC[N@H+]1CCN(C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000229376874 382851088 /nfs/dbraw/zinc/85/10/88/382851088.db2.gz ANXDHFAREHYFSO-DOTOQJQBSA-N 1 1 276.424 2.526 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000225786361 382821561 /nfs/dbraw/zinc/82/15/61/382821561.db2.gz IQEQWZWTWDZLSJ-UHFFFAOYSA-N 1 1 287.469 2.647 50 0 CFAAMO C[N@H+]1C[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751615 382831049 /nfs/dbraw/zinc/83/10/49/382831049.db2.gz ZUTKUMRHLZENHR-SJORKVTESA-N 1 1 280.371 2.971 50 0 CFAAMO O=c1cc(C[N@H+]2C[C@H]3CCCCC[C@H]32)nc2sccn21 ZINC000230173280 382857106 /nfs/dbraw/zinc/85/71/06/382857106.db2.gz WANMWISPJBPVNA-DGCLKSJQSA-N 1 1 289.404 2.521 50 0 CFAAMO COCc1cccc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)c1 ZINC000242339306 382986034 /nfs/dbraw/zinc/98/60/34/382986034.db2.gz ZGRSCPDOJLDMJB-PBHICJAKSA-N 1 1 277.408 2.816 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(CCCc2cccnc2)C1 ZINC000243885600 382987177 /nfs/dbraw/zinc/98/71/77/382987177.db2.gz AATLNKPWDJNZCC-OAHLLOKOSA-N 1 1 273.424 2.573 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@H+](C3CCSCC3)C2)n1 ZINC000244633481 382989474 /nfs/dbraw/zinc/98/94/74/382989474.db2.gz GDRRUAXHDZFXIR-CQSZACIVSA-N 1 1 265.426 2.642 50 0 CFAAMO CC(C)c1nnsc1C[N@H+](C)CCC1(O)CCCC1 ZINC000244734597 382991599 /nfs/dbraw/zinc/99/15/99/382991599.db2.gz NINDPLDPGKQIMI-UHFFFAOYSA-N 1 1 283.441 2.789 50 0 CFAAMO CC(C)c1nnsc1C[N@@H+](C)CCC1(O)CCCC1 ZINC000244734597 382991605 /nfs/dbraw/zinc/99/16/05/382991605.db2.gz NINDPLDPGKQIMI-UHFFFAOYSA-N 1 1 283.441 2.789 50 0 CFAAMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cncn1C1CC1 ZINC000244724122 382991876 /nfs/dbraw/zinc/99/18/76/382991876.db2.gz MNYOIISHCBVMAI-QGZVFWFLSA-N 1 1 285.391 2.774 50 0 CFAAMO CCc1nc(CN(C)[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000244796124 382992301 /nfs/dbraw/zinc/99/23/01/382992301.db2.gz RTITVFLYBTZPRU-CQSZACIVSA-N 1 1 270.380 2.877 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](CCc2ccccc2)[C@H](C)[C@@H]1C ZINC000245257284 382996964 /nfs/dbraw/zinc/99/69/64/382996964.db2.gz YNNDIBSJMPQCKB-JJRVBVJISA-N 1 1 275.392 2.891 50 0 CFAAMO C[N@@H+]1CC[C@@H](Nc2ncccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339501 382997929 /nfs/dbraw/zinc/99/79/29/382997929.db2.gz TZWOLQHQEQDWJJ-ZIAGYGMSSA-N 1 1 290.317 2.612 50 0 CFAAMO C[N@H+]1CC[C@@H](Nc2ncccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339501 382997932 /nfs/dbraw/zinc/99/79/32/382997932.db2.gz TZWOLQHQEQDWJJ-ZIAGYGMSSA-N 1 1 290.317 2.612 50 0 CFAAMO c1cnn(C[C@H]2C[N@H+]([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000247068089 383139133 /nfs/dbraw/zinc/13/91/33/383139133.db2.gz GIAPJSAHAOPKTH-AEFFLSMTSA-N 1 1 297.402 2.662 50 0 CFAAMO C[C@@H](NCc1ccns1)[C@H](c1ccccc1)[NH+](C)C ZINC000585117775 383115209 /nfs/dbraw/zinc/11/52/09/383115209.db2.gz WJNMCDGBJXWADE-IUODEOHRSA-N 1 1 275.421 2.924 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000248127627 383212242 /nfs/dbraw/zinc/21/22/42/383212242.db2.gz MHFLVTBMBZGDNI-DLBZAZTESA-N 1 1 290.451 2.898 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC1CCCC1 ZINC000248133742 383213196 /nfs/dbraw/zinc/21/31/96/383213196.db2.gz NXHJCRHOEQIQJR-HUUCEWRRSA-N 1 1 264.413 2.652 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC)C[C@H]2C)C12CCC2 ZINC000247950018 383202273 /nfs/dbraw/zinc/20/22/73/383202273.db2.gz DXSRRUVTCJPAEB-FXUDXRNXSA-N 1 1 280.456 2.654 50 0 CFAAMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000247257754 383157489 /nfs/dbraw/zinc/15/74/89/383157489.db2.gz YXDYIKCNSOZOSZ-KBXCAEBGSA-N 1 1 285.387 2.989 50 0 CFAAMO C[NH2+]C[C@@H]1CCCN([C@H](C)c2cccc(OC)c2)C1 ZINC000251557512 383390256 /nfs/dbraw/zinc/39/02/56/383390256.db2.gz RRFBGSKHALYDPT-KGLIPLIRSA-N 1 1 262.397 2.688 50 0 CFAAMO Cc1cccc2nc(CN(C)C[C@H](C)[NH+]3CCCC3)[nH]c21 ZINC000252502233 383415319 /nfs/dbraw/zinc/41/53/19/383415319.db2.gz UNXQWQAKHQFWJX-AWEZNQCLSA-N 1 1 286.423 2.787 50 0 CFAAMO Cc1nnc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)s1 ZINC000426634345 383407511 /nfs/dbraw/zinc/40/75/11/383407511.db2.gz UQZLQJBQPSVEJO-LLVKDONJSA-N 1 1 289.404 2.907 50 0 CFAAMO CCC1=NO[C@@H](C[N@@H+](C)Cc2ccccc2-n2cccn2)C1 ZINC000252481674 383411313 /nfs/dbraw/zinc/41/13/13/383411313.db2.gz CQFIKXHXZKDGDL-MRXNPFEDSA-N 1 1 298.390 2.859 50 0 CFAAMO CC[C@@H]1C[N@@H+](CCSC(C)(C)C)C[C@]2(CCOC2)O1 ZINC000252489600 383412975 /nfs/dbraw/zinc/41/29/75/383412975.db2.gz JUQMONLPBJRHHO-HIFRSBDPSA-N 1 1 287.469 2.788 50 0 CFAAMO CC(C)c1nsc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250477574 383376110 /nfs/dbraw/zinc/37/61/10/383376110.db2.gz ZNHSISAHWMEXAN-MNOVXSKESA-N 1 1 266.414 2.700 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)[C@@H](C)c2ccccn2)c(C)c1=O ZINC000253536737 383461843 /nfs/dbraw/zinc/46/18/43/383461843.db2.gz MNIWBAFSWSXXOB-ZDUSSCGKSA-N 1 1 271.364 2.992 50 0 CFAAMO Cc1c[nH]c(C[N@H+](C)[C@@H](C)c2ccccn2)c(C)c1=O ZINC000253536737 383461848 /nfs/dbraw/zinc/46/18/48/383461848.db2.gz MNIWBAFSWSXXOB-ZDUSSCGKSA-N 1 1 271.364 2.992 50 0 CFAAMO COC(=O)[C@H]1CC[N@@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000252537378 383418104 /nfs/dbraw/zinc/41/81/04/383418104.db2.gz KZZJTMLMGYGYIT-HOTGVXAUSA-N 1 1 275.392 2.921 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2C)CC[N@@H+](C)[C@H]1C ZINC000255963356 383488189 /nfs/dbraw/zinc/48/81/89/383488189.db2.gz AVJHHMSHPYWQSR-XJKSGUPXSA-N 1 1 261.365 2.868 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)C3CCC3)C2)n1C(C)C ZINC000257180510 383491166 /nfs/dbraw/zinc/49/11/66/383491166.db2.gz KWBLIVZZXITMRY-AWEZNQCLSA-N 1 1 289.423 2.964 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cn1 ZINC000636440574 383817896 /nfs/dbraw/zinc/81/78/96/383817896.db2.gz QTDLVSDKKXDXHK-IAGOWNOFSA-N 1 1 298.386 2.788 50 0 CFAAMO O[C@@H](C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000008132648 285302281 /nfs/dbraw/zinc/30/22/81/285302281.db2.gz HMDFHKCUQNUSEN-STQMWFEESA-N 1 1 273.298 2.994 50 0 CFAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1C ZINC000020560853 542642850 /nfs/dbraw/zinc/64/28/50/542642850.db2.gz XYJWJMNIRLYLTQ-AWEZNQCLSA-N 1 1 287.411 2.623 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NC1CCCCC1 ZINC000006007646 393462447 /nfs/dbraw/zinc/46/24/47/393462447.db2.gz INQCLXMFWNEMJW-BETUJISGSA-N 1 1 252.402 2.698 50 0 CFAAMO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058208502 393623171 /nfs/dbraw/zinc/62/31/71/393623171.db2.gz MABBZRZGQRRTLF-JTQLQIEISA-N 1 1 287.367 2.611 50 0 CFAAMO Fc1ccc(OCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193997155 393670548 /nfs/dbraw/zinc/67/05/48/393670548.db2.gz ZDCLKVAMYGYFAS-ZDUSSCGKSA-N 1 1 289.354 2.807 50 0 CFAAMO CC1CC(C(=O)N2CC[N@H+](C)Cc3ccccc32)C1 ZINC000089920157 393771939 /nfs/dbraw/zinc/77/19/39/393771939.db2.gz NSJMANQJMCLBGT-UHFFFAOYSA-N 1 1 258.365 2.511 50 0 CFAAMO CC1CC(C(=O)N2CC[N@@H+](C)Cc3ccccc32)C1 ZINC000089920157 393771944 /nfs/dbraw/zinc/77/19/44/393771944.db2.gz NSJMANQJMCLBGT-UHFFFAOYSA-N 1 1 258.365 2.511 50 0 CFAAMO Cc1nc(C)c(C[N@H+](C)C[C@H]2COc3ccccc3O2)o1 ZINC000239782381 393797957 /nfs/dbraw/zinc/79/79/57/393797957.db2.gz COBXOPBCUMDIJX-ZDUSSCGKSA-N 1 1 288.347 2.563 50 0 CFAAMO Cc1nc(C)c(C[N@@H+](C)C[C@H]2COc3ccccc3O2)o1 ZINC000239782381 393797961 /nfs/dbraw/zinc/79/79/61/393797961.db2.gz COBXOPBCUMDIJX-ZDUSSCGKSA-N 1 1 288.347 2.563 50 0 CFAAMO Cc1ccnc(N[C@@H](C)C[N@H+]2CCc3ccccc3C2)n1 ZINC000095356161 393811796 /nfs/dbraw/zinc/81/17/96/393811796.db2.gz LMACWBDWOIPXQF-AWEZNQCLSA-N 1 1 282.391 2.644 50 0 CFAAMO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000096404195 393821846 /nfs/dbraw/zinc/82/18/46/393821846.db2.gz ZXEOXGDTQPGSPR-CHWSQXEVSA-N 1 1 295.452 2.711 50 0 CFAAMO NC(=O)CC[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000096410324 393823855 /nfs/dbraw/zinc/82/38/55/393823855.db2.gz LEOBCSSXBSUDQX-AWEZNQCLSA-N 1 1 292.448 2.756 50 0 CFAAMO Cc1cccc(NC2CC[NH+]([C@@H]3C[C@@H](C)OC3=O)CC2)c1 ZINC000096421215 393828151 /nfs/dbraw/zinc/82/81/51/393828151.db2.gz FYKLYBZWWIUIEZ-CZUORRHYSA-N 1 1 288.391 2.575 50 0 CFAAMO Cc1ccc2ncccc2c1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000097334262 393841030 /nfs/dbraw/zinc/84/10/30/393841030.db2.gz ZIMNBVNASPGQEL-AWEZNQCLSA-N 1 1 297.402 2.773 50 0 CFAAMO Cc1cnn(C)c1C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000290487794 394229809 /nfs/dbraw/zinc/22/98/09/394229809.db2.gz VSNWHQYDCTXERN-CYBMUJFWSA-N 1 1 271.364 2.512 50 0 CFAAMO Cc1cnn(C)c1C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000290487794 394229814 /nfs/dbraw/zinc/22/98/14/394229814.db2.gz VSNWHQYDCTXERN-CYBMUJFWSA-N 1 1 271.364 2.512 50 0 CFAAMO c1ccc(CC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)nc1 ZINC000170052745 394371223 /nfs/dbraw/zinc/37/12/23/394371223.db2.gz SDVBMTWDSIFQKD-LJQANCHMSA-N 1 1 294.398 2.798 50 0 CFAAMO CN(C[C@H]1CCC[N@H+]1C)c1nccc2ccccc21 ZINC000528037653 394441427 /nfs/dbraw/zinc/44/14/27/394441427.db2.gz KLFQGCJMIRNQMQ-CQSZACIVSA-N 1 1 255.365 2.765 50 0 CFAAMO O=c1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)nc2ccccn12 ZINC000026880242 542988781 /nfs/dbraw/zinc/98/87/81/542988781.db2.gz OZEMTDMKEMZKEZ-HUUCEWRRSA-N 1 1 297.402 2.707 50 0 CFAAMO Cc1nnc(C[N@@H+](C)[C@@H](C)Cc2ccsc2)o1 ZINC000176450844 542995293 /nfs/dbraw/zinc/99/52/93/542995293.db2.gz PHPJCVZCFJOCEH-VIFPVBQESA-N 1 1 251.355 2.503 50 0 CFAAMO Cc1nnc(C[N@H+](C)[C@@H](C)Cc2ccsc2)o1 ZINC000176450844 542995296 /nfs/dbraw/zinc/99/52/96/542995296.db2.gz PHPJCVZCFJOCEH-VIFPVBQESA-N 1 1 251.355 2.503 50 0 CFAAMO Cc1cc(NCc2nnc(C3CC3)n2C2CC2)nc(C)[nH+]1 ZINC000186490745 543052414 /nfs/dbraw/zinc/05/24/14/543052414.db2.gz HHHLBWQMNCXHDF-UHFFFAOYSA-N 1 1 284.367 2.509 50 0 CFAAMO CN(Cc1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000408514036 397564900 /nfs/dbraw/zinc/56/49/00/397564900.db2.gz GCCAIPKVTOMVMV-UHFFFAOYSA-N 1 1 269.392 2.775 50 0 CFAAMO O=c1oc2ccccc2n1CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000044977889 397571044 /nfs/dbraw/zinc/57/10/44/397571044.db2.gz WRMMAWBAGZHMEH-CQSZACIVSA-N 1 1 297.358 2.760 50 0 CFAAMO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007811619 397537098 /nfs/dbraw/zinc/53/70/98/397537098.db2.gz ZGDBLSGTBLBMDU-BETUJISGSA-N 1 1 276.380 2.612 50 0 CFAAMO CC(C)C(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012058377 397538412 /nfs/dbraw/zinc/53/84/12/397538412.db2.gz QABVNSSMKYPCMR-AWEZNQCLSA-N 1 1 266.429 2.946 50 0 CFAAMO Cn1ncnc1C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000328587064 397646899 /nfs/dbraw/zinc/64/68/99/397646899.db2.gz MCCLBAGVMHKAAD-CYBMUJFWSA-N 1 1 288.370 2.724 50 0 CFAAMO Cn1ncnc1C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000328587064 397646902 /nfs/dbraw/zinc/64/69/02/397646902.db2.gz MCCLBAGVMHKAAD-CYBMUJFWSA-N 1 1 288.370 2.724 50 0 CFAAMO CCN(C(=O)C[N@H+](C)[C@@H](C)c1ccccc1OC)C1CC1 ZINC000047886972 397588083 /nfs/dbraw/zinc/58/80/83/397588083.db2.gz SZXSUPQFWAXQAX-ZDUSSCGKSA-N 1 1 290.407 2.699 50 0 CFAAMO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1OC)C1CC1 ZINC000047886972 397588086 /nfs/dbraw/zinc/58/80/86/397588086.db2.gz SZXSUPQFWAXQAX-ZDUSSCGKSA-N 1 1 290.407 2.699 50 0 CFAAMO C[C@@H](C1CC1)[N@H+](Cc1nnnn1C1CC1)Cc1ccccc1 ZINC000047828571 397588227 /nfs/dbraw/zinc/58/82/27/397588227.db2.gz GIYXKXBVKDKOMH-ZDUSSCGKSA-N 1 1 297.406 2.809 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](Cc1nnnn1C1CC1)Cc1ccccc1 ZINC000047828571 397588228 /nfs/dbraw/zinc/58/82/28/397588228.db2.gz GIYXKXBVKDKOMH-ZDUSSCGKSA-N 1 1 297.406 2.809 50 0 CFAAMO CCO[C@H]1CCC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000108480412 397598527 /nfs/dbraw/zinc/59/85/27/397598527.db2.gz MCKRJUYAQPOCRF-OCCSQVGLSA-N 1 1 263.385 2.655 50 0 CFAAMO Clc1cncc(Cl)c1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000215090734 397619210 /nfs/dbraw/zinc/61/92/10/397619210.db2.gz WMBRRHIOLKZKDG-UHFFFAOYSA-N 1 1 283.162 2.670 50 0 CFAAMO Clc1cncc(Cl)c1C[N@H+]1CCc2n[nH]cc2C1 ZINC000215090734 397619212 /nfs/dbraw/zinc/61/92/12/397619212.db2.gz WMBRRHIOLKZKDG-UHFFFAOYSA-N 1 1 283.162 2.670 50 0 CFAAMO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@H](COC)C2)[nH]1 ZINC000215278958 397619280 /nfs/dbraw/zinc/61/92/80/397619280.db2.gz UFJASRSQFBDELI-LLVKDONJSA-N 1 1 285.819 2.874 50 0 CFAAMO CCCCc1nc(Cl)c(C[N@H+]2CC[C@@H](COC)C2)[nH]1 ZINC000215278958 397619282 /nfs/dbraw/zinc/61/92/82/397619282.db2.gz UFJASRSQFBDELI-LLVKDONJSA-N 1 1 285.819 2.874 50 0 CFAAMO Cc1ocnc1C(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000825286758 782007522 /nfs/dbraw/zinc/00/75/22/782007522.db2.gz SHBRTWRDVMUVRA-UHFFFAOYSA-N 1 1 296.330 2.789 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1CCC1 ZINC000004597870 292369585 /nfs/dbraw/zinc/36/95/85/292369585.db2.gz AMXKHKZYEPHIKK-WBVHZDCISA-N 1 1 284.403 2.929 50 0 CFAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000004867882 170033488 /nfs/dbraw/zinc/03/34/88/170033488.db2.gz DTYLIISEVDGUQM-INIZCTEOSA-N 1 1 277.408 2.999 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000004986329 170049693 /nfs/dbraw/zinc/04/96/93/170049693.db2.gz BWRHLVGKMYKFLO-LLVKDONJSA-N 1 1 259.271 2.662 50 0 CFAAMO CC(C)[N@@H+](CC(N)=O)Cc1cccc2ccccc21 ZINC000006647988 170222043 /nfs/dbraw/zinc/22/20/43/170222043.db2.gz DLZOMJMGXHMGMR-UHFFFAOYSA-N 1 1 256.349 2.536 50 0 CFAAMO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCCC1 ZINC000006742119 170237859 /nfs/dbraw/zinc/23/78/59/170237859.db2.gz VYRWLWNDAPWTJL-UHFFFAOYSA-N 1 1 252.745 2.683 50 0 CFAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000008118983 170319521 /nfs/dbraw/zinc/31/95/21/170319521.db2.gz MQZZVQFXSMJJMP-JTQLQIEISA-N 1 1 268.307 2.778 50 0 CFAAMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000008745230 170353810 /nfs/dbraw/zinc/35/38/10/170353810.db2.gz VUFDWMHLJOXADP-GDBMZVCRSA-N 1 1 272.392 2.798 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)C1CCCCC1)c1ccco1 ZINC000010328373 170404400 /nfs/dbraw/zinc/40/44/00/170404400.db2.gz GIRAAYICRHIDMI-CYBMUJFWSA-N 1 1 264.369 2.579 50 0 CFAAMO O=C(C1=CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012597310 170499745 /nfs/dbraw/zinc/49/97/45/170499745.db2.gz UMJISUVBADSPCL-SFHVURJKSA-N 1 1 288.435 2.821 50 0 CFAAMO Cc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000016580465 170703317 /nfs/dbraw/zinc/70/33/17/170703317.db2.gz OSRSQCYULHVXTR-UHFFFAOYSA-N 1 1 274.408 2.685 50 0 CFAAMO CC[C@@H](C)Oc1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000020652659 171268704 /nfs/dbraw/zinc/26/87/04/171268704.db2.gz JROVYETUTVLBOS-OAHLLOKOSA-N 1 1 293.407 2.965 50 0 CFAAMO CC(C)Oc1cccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020652973 171268845 /nfs/dbraw/zinc/26/88/45/171268845.db2.gz VITBNTOTHBSZCC-GJZGRUSLSA-N 1 1 293.407 2.962 50 0 CFAAMO CC(=O)c1cccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020639225 171269157 /nfs/dbraw/zinc/26/91/57/171269157.db2.gz BOTQWJXDDAYMGN-ZIAGYGMSSA-N 1 1 291.391 2.767 50 0 CFAAMO O[C@H](c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020791750 171272488 /nfs/dbraw/zinc/27/24/88/171272488.db2.gz MLWIPELGYZQEMS-RTBURBONSA-N 1 1 297.398 2.836 50 0 CFAAMO CO[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000020867931 171276666 /nfs/dbraw/zinc/27/66/66/171276666.db2.gz DFNLEDKRPDALNQ-AWEZNQCLSA-N 1 1 269.772 2.830 50 0 CFAAMO c1cc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)n[nH]1 ZINC000020911886 171279334 /nfs/dbraw/zinc/27/93/34/171279334.db2.gz KWRMFERPKASORF-MRXNPFEDSA-N 1 1 270.380 2.792 50 0 CFAAMO C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)C1CCOCC1 ZINC000020999095 171284189 /nfs/dbraw/zinc/28/41/89/171284189.db2.gz ASJUVXRLRBZZPC-UHFFFAOYSA-N 1 1 262.328 2.918 50 0 CFAAMO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000022113701 171353152 /nfs/dbraw/zinc/35/31/52/171353152.db2.gz CFWSKJOGTKJXPT-CQSZACIVSA-N 1 1 292.379 2.577 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000022936408 171404717 /nfs/dbraw/zinc/40/47/17/171404717.db2.gz YMAOBAZBJHENAS-HNNXBMFYSA-N 1 1 292.423 2.668 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000022936408 171404718 /nfs/dbraw/zinc/40/47/18/171404718.db2.gz YMAOBAZBJHENAS-HNNXBMFYSA-N 1 1 292.423 2.668 50 0 CFAAMO COC(=O)[C@H]([NH3+])Cc1ccc(-c2cccc(C(C)=O)c2)cc1 ZINC000038518570 174143785 /nfs/dbraw/zinc/14/37/85/174143785.db2.gz IQBUXRJXWYVDFW-QGZVFWFLSA-N 1 1 297.354 2.599 50 0 CFAAMO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000039478876 174168464 /nfs/dbraw/zinc/16/84/64/174168464.db2.gz QQVXALIFXBMDAN-HNNXBMFYSA-N 1 1 297.358 2.907 50 0 CFAAMO C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000039478876 174168466 /nfs/dbraw/zinc/16/84/66/174168466.db2.gz QQVXALIFXBMDAN-HNNXBMFYSA-N 1 1 297.358 2.907 50 0 CFAAMO c1ccc(C[N@H+]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000039565649 174170178 /nfs/dbraw/zinc/17/01/78/174170178.db2.gz KMOQMXILLUBOJL-QGZVFWFLSA-N 1 1 252.361 2.833 50 0 CFAAMO c1ccc(CN2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000039565649 174170180 /nfs/dbraw/zinc/17/01/80/174170180.db2.gz KMOQMXILLUBOJL-QGZVFWFLSA-N 1 1 252.361 2.833 50 0 CFAAMO CC(C)CCNC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000040049896 174184940 /nfs/dbraw/zinc/18/49/40/174184940.db2.gz YTHKHUJLAHMHPE-INIZCTEOSA-N 1 1 274.408 2.768 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1ccc(F)cc1 ZINC000040107544 174192086 /nfs/dbraw/zinc/19/20/86/174192086.db2.gz LYJJHBBDTQTUJO-DNGMOHDESA-N 1 1 290.382 2.830 50 0 CFAAMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040433903 174261024 /nfs/dbraw/zinc/26/10/24/174261024.db2.gz JYKKEFNKRYSTNF-CQSZACIVSA-N 1 1 261.365 2.850 50 0 CFAAMO C[C@@H]1CCCC[C@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000097108475 287306591 /nfs/dbraw/zinc/30/65/91/287306591.db2.gz ZFILPGGGRGTZSI-YFTKNLTDSA-N 1 1 257.443 2.656 50 0 CFAAMO CC(C)[C@H]1C[N@@H+](C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071730392 176255969 /nfs/dbraw/zinc/25/59/69/176255969.db2.gz WCFZYNMLTVHPMB-OAHLLOKOSA-N 1 1 278.371 2.514 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)cn1 ZINC000071797315 176264794 /nfs/dbraw/zinc/26/47/94/176264794.db2.gz SJUJTWYQLHBOAE-AWEZNQCLSA-N 1 1 282.347 2.898 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)cn1 ZINC000071797315 176264795 /nfs/dbraw/zinc/26/47/95/176264795.db2.gz SJUJTWYQLHBOAE-AWEZNQCLSA-N 1 1 282.347 2.898 50 0 CFAAMO C[N@@H+]1CCN(C(=O)CCc2ccco2)[C@@H](c2ccccc2)C1 ZINC000071858591 176279563 /nfs/dbraw/zinc/27/95/63/176279563.db2.gz HVNMLNLPKDKSFF-QGZVFWFLSA-N 1 1 298.386 2.728 50 0 CFAAMO C[N@H+]1CCN(C(=O)CCc2ccco2)[C@@H](c2ccccc2)C1 ZINC000071858591 176279564 /nfs/dbraw/zinc/27/95/64/176279564.db2.gz HVNMLNLPKDKSFF-QGZVFWFLSA-N 1 1 298.386 2.728 50 0 CFAAMO CSCC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000071870842 176283619 /nfs/dbraw/zinc/28/36/19/176283619.db2.gz LVSFMIBRHLSORY-LBPRGKRZSA-N 1 1 281.425 2.533 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000071870702 176283796 /nfs/dbraw/zinc/28/37/96/176283796.db2.gz LMRAAHMLZFXBKZ-GJZGRUSLSA-N 1 1 287.407 2.965 50 0 CFAAMO Cn1ccnc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000071897268 176292814 /nfs/dbraw/zinc/29/28/14/176292814.db2.gz BXCMNLHIYZRGFL-UHFFFAOYSA-N 1 1 299.418 2.849 50 0 CFAAMO CCS[C@@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC000071899660 176293564 /nfs/dbraw/zinc/29/35/64/176293564.db2.gz RRJZJEGVYAVJIH-GFCCVEGCSA-N 1 1 253.415 2.528 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC=CCC1 ZINC000072143864 176324439 /nfs/dbraw/zinc/32/44/39/176324439.db2.gz WNCUMNULTAPNMU-ZDUSSCGKSA-N 1 1 283.375 2.711 50 0 CFAAMO c1cc(C[N@H+]2CCCN(Cc3ccncc3)CC2)cs1 ZINC000072145432 176324685 /nfs/dbraw/zinc/32/46/85/176324685.db2.gz PAHAECYOXNWANK-UHFFFAOYSA-N 1 1 287.432 2.851 50 0 CFAAMO c1cc(CN2CCC[N@H+](Cc3ccncc3)CC2)cs1 ZINC000072145432 176324687 /nfs/dbraw/zinc/32/46/87/176324687.db2.gz PAHAECYOXNWANK-UHFFFAOYSA-N 1 1 287.432 2.851 50 0 CFAAMO c1cc(CN2CCC[N@@H+](Cc3ccncc3)CC2)cs1 ZINC000072145432 176324689 /nfs/dbraw/zinc/32/46/89/176324689.db2.gz PAHAECYOXNWANK-UHFFFAOYSA-N 1 1 287.432 2.851 50 0 CFAAMO OCCC[N@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072145033 176325230 /nfs/dbraw/zinc/32/52/30/176325230.db2.gz VYNBPOKKDRISCR-OAHLLOKOSA-N 1 1 265.372 2.853 50 0 CFAAMO CC(C)n1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000072286906 176360401 /nfs/dbraw/zinc/36/04/01/176360401.db2.gz AKIJSNYOTGDZGA-CYBMUJFWSA-N 1 1 273.384 2.567 50 0 CFAAMO CC(C)n1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000072286906 176360402 /nfs/dbraw/zinc/36/04/02/176360402.db2.gz AKIJSNYOTGDZGA-CYBMUJFWSA-N 1 1 273.384 2.567 50 0 CFAAMO Clc1cnccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072300380 176364438 /nfs/dbraw/zinc/36/44/38/176364438.db2.gz NMJBRDCZFGEHDJ-GFCCVEGCSA-N 1 1 276.771 2.838 50 0 CFAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCCOCC2)cc1 ZINC000072407235 176398074 /nfs/dbraw/zinc/39/80/74/176398074.db2.gz QURVDKQEBOUUJG-UHFFFAOYSA-N 1 1 277.408 2.612 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000076409185 177020194 /nfs/dbraw/zinc/02/01/94/177020194.db2.gz LTXRVSUEOPQQGI-OAHLLOKOSA-N 1 1 291.391 2.849 50 0 CFAAMO CC[C@H]1CN(C(=O)c2ccc(O)c(C)c2)CC[N@H+]1C(C)C ZINC000077287992 177249186 /nfs/dbraw/zinc/24/91/86/177249186.db2.gz XUYGVPKRDOUXAF-HNNXBMFYSA-N 1 1 290.407 2.645 50 0 CFAAMO CCCc1cnc(C)nc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077380315 177260756 /nfs/dbraw/zinc/26/07/56/177260756.db2.gz RLOQTAMULTVVMJ-CQSZACIVSA-N 1 1 285.395 2.845 50 0 CFAAMO CCc1nc(C)sc1C[N@H+]1CCOC[C@@H]1CC ZINC000077554051 177280633 /nfs/dbraw/zinc/28/06/33/177280633.db2.gz PHCNCAMAXMETDM-NSHDSACASA-N 1 1 254.399 2.625 50 0 CFAAMO CCc1nc(C)sc1C[N@@H+]1CCOC[C@@H]1CC ZINC000077554051 177280634 /nfs/dbraw/zinc/28/06/34/177280634.db2.gz PHCNCAMAXMETDM-NSHDSACASA-N 1 1 254.399 2.625 50 0 CFAAMO CCNc1ncc(C[N@H+]2CCCC[C@H]2CCCOC)cn1 ZINC000077554016 177280925 /nfs/dbraw/zinc/28/09/25/177280925.db2.gz URZHSTYFUQIUQD-HNNXBMFYSA-N 1 1 292.427 2.690 50 0 CFAAMO C[C@@H]1C[N@H+](CCCCOc2ccc(C=O)cc2)C[C@H](C)O1 ZINC000016489004 260099191 /nfs/dbraw/zinc/09/91/91/260099191.db2.gz YEPWQSPGZBBRCM-GASCZTMLSA-N 1 1 291.391 2.767 50 0 CFAAMO CC(C)(C)CCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000225450049 262372415 /nfs/dbraw/zinc/37/24/15/262372415.db2.gz DFBBERXTNDTUEW-INIZCTEOSA-N 1 1 282.472 2.999 50 0 CFAAMO C[NH+]1CCN(c2nc3c(cccc3Cl)s2)CC1 ZINC000012230028 273900926 /nfs/dbraw/zinc/90/09/26/273900926.db2.gz KVYBNGHOEZBPKO-UHFFFAOYSA-N 1 1 267.785 2.702 50 0 CFAAMO C[C@@H]1C[N@@H+](CCOCCSc2ccccc2)C[C@H](C)O1 ZINC000013152761 274349427 /nfs/dbraw/zinc/34/94/27/274349427.db2.gz PUAYDDVQOHDRIZ-GASCZTMLSA-N 1 1 295.448 2.905 50 0 CFAAMO C[C@@H]1C[N@H+](CCOCCSc2ccccc2)C[C@H](C)O1 ZINC000013152761 274349430 /nfs/dbraw/zinc/34/94/30/274349430.db2.gz PUAYDDVQOHDRIZ-GASCZTMLSA-N 1 1 295.448 2.905 50 0 CFAAMO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nnc2n1CCC2 ZINC000095419882 274882100 /nfs/dbraw/zinc/88/21/00/274882100.db2.gz KSVLQZGQZVHKBQ-CYBMUJFWSA-N 1 1 288.782 2.655 50 0 CFAAMO CCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000006655467 276223560 /nfs/dbraw/zinc/22/35/60/276223560.db2.gz BZYJTNJQADRYCE-ZBFHGGJFSA-N 1 1 272.392 2.929 50 0 CFAAMO CCNc1nc(=S)[nH]c2sc3c(c21)CC[N@@H+](C)C3 ZINC000020432221 276271611 /nfs/dbraw/zinc/27/16/11/276271611.db2.gz SPNHHHSOSSWJSK-UHFFFAOYSA-N 1 1 280.422 2.774 50 0 CFAAMO CCNc1nc(=S)[nH]c2sc3c(c21)CC[N@H+](C)C3 ZINC000020432221 276271613 /nfs/dbraw/zinc/27/16/13/276271613.db2.gz SPNHHHSOSSWJSK-UHFFFAOYSA-N 1 1 280.422 2.774 50 0 CFAAMO C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000244601737 277053130 /nfs/dbraw/zinc/05/31/30/277053130.db2.gz DRDTZVQFUXXXKQ-ZBFHGGJFSA-N 1 1 272.392 2.522 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000014242314 278003971 /nfs/dbraw/zinc/00/39/71/278003971.db2.gz LSWMVNUKILGFOG-JKIFEVAISA-N 1 1 286.419 2.984 50 0 CFAAMO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000065625748 278217591 /nfs/dbraw/zinc/21/75/91/278217591.db2.gz DENPVIYKFHYJRR-ZDUSSCGKSA-N 1 1 268.360 2.659 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000042123229 278218995 /nfs/dbraw/zinc/21/89/95/278218995.db2.gz OBQPGRUDNHVABH-DVOMOZLQSA-N 1 1 278.440 2.944 50 0 CFAAMO C[C@H]([NH2+][C@@H](C)c1ccco1)C(=O)NC1CCCCC1 ZINC000035139202 278268555 /nfs/dbraw/zinc/26/85/55/278268555.db2.gz JMDASRLLPPSZRH-RYUDHWBXSA-N 1 1 264.369 2.768 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000252586190 279241876 /nfs/dbraw/zinc/24/18/76/279241876.db2.gz OBQPGRUDNHVABH-IOASZLSFSA-N 1 1 278.440 2.944 50 0 CFAAMO Cc1ccc2c(c1)ncn(CC[C@H]1CCCC[N@@H+]1C)c2=O ZINC000032587120 281132278 /nfs/dbraw/zinc/13/22/78/281132278.db2.gz YJGRTMGEZDVGDY-CQSZACIVSA-N 1 1 285.391 2.579 50 0 CFAAMO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2cscn2)C1 ZINC000215962148 281378665 /nfs/dbraw/zinc/37/86/65/281378665.db2.gz GXPDYXMQNFHTRF-OAHLLOKOSA-N 1 1 274.389 2.545 50 0 CFAAMO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2cscn2)C1 ZINC000215962148 281378667 /nfs/dbraw/zinc/37/86/67/281378667.db2.gz GXPDYXMQNFHTRF-OAHLLOKOSA-N 1 1 274.389 2.545 50 0 CFAAMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccccc1 ZINC000350670892 290130918 /nfs/dbraw/zinc/13/09/18/290130918.db2.gz UZODWFXRQJPZBJ-CHWSQXEVSA-N 1 1 296.361 2.839 50 0 CFAAMO Cc1nnc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)s1 ZINC000426634346 293812491 /nfs/dbraw/zinc/81/24/91/293812491.db2.gz UQZLQJBQPSVEJO-NSHDSACASA-N 1 1 289.404 2.907 50 0 CFAAMO C[C@H](CN1CCCCCC1)[NH2+]Cc1cccc(CO)c1 ZINC000534576661 328310221 /nfs/dbraw/zinc/31/02/21/328310221.db2.gz GLKAVJGJBFEPSO-OAHLLOKOSA-N 1 1 276.424 2.533 50 0 CFAAMO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1nc(C2CC2)no1 ZINC000132483057 323626058 /nfs/dbraw/zinc/62/60/58/323626058.db2.gz SXOZLSXVZICMGI-KOLCDFICSA-N 1 1 279.384 2.944 50 0 CFAAMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)c1cccnc1 ZINC000069622256 327100335 /nfs/dbraw/zinc/10/03/35/327100335.db2.gz VXUNXHAYTCSGCZ-AWEZNQCLSA-N 1 1 277.412 2.771 50 0 CFAAMO O=C(Cc1ccc(Cl)s1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337810818 330351583 /nfs/dbraw/zinc/35/15/83/330351583.db2.gz LQKZWNRIXLNBQN-WDEREUQCSA-N 1 1 298.839 2.687 50 0 CFAAMO Cc1nc(NCCC[N@H+]2CCC[C@@H](CO)C2)ccc1Cl ZINC000828711218 782103392 /nfs/dbraw/zinc/10/33/92/782103392.db2.gz SEAOFMBZFLKTEI-CYBMUJFWSA-N 1 1 297.830 2.550 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)CCC[C@@H]2CCCO2)n(C)c1 ZINC000215086293 518275567 /nfs/dbraw/zinc/27/55/67/518275567.db2.gz LZJUGFDLRKDZFS-MRXNPFEDSA-N 1 1 278.396 2.619 50 0 CFAAMO C[C@H](CC[N@H+]1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000193766855 524178847 /nfs/dbraw/zinc/17/88/47/524178847.db2.gz TZSPGXPYHXCEHE-AEFFLSMTSA-N 1 1 288.435 2.587 50 0 CFAAMO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)c1 ZINC000338527148 524899845 /nfs/dbraw/zinc/89/98/45/524899845.db2.gz AIJCTVSVALZHDA-MSOLQXFVSA-N 1 1 294.398 2.696 50 0 CFAAMO CC(C)n1cncc1C[N@@H+](C)[C@H]1CCOC(C)(C)C1 ZINC000097743482 528619744 /nfs/dbraw/zinc/61/97/44/528619744.db2.gz AZCZNLFGLIURJT-ZDUSSCGKSA-N 1 1 265.401 2.853 50 0 CFAAMO CCS[C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000096451436 529228561 /nfs/dbraw/zinc/22/85/61/529228561.db2.gz RZVCHSSRZLYOAZ-OLZOCXBDSA-N 1 1 272.458 2.507 50 0 CFAAMO CCOC(=O)[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000094272802 535524872 /nfs/dbraw/zinc/52/48/72/535524872.db2.gz JLGABKPJPQVNIV-SNVBAGLBSA-N 1 1 268.744 2.515 50 0 CFAAMO CC[C@H](C(=O)NC1(c2cc(F)ccc2F)CC1)[N@@H+](C)CC ZINC000952970756 615605512 /nfs/dbraw/zinc/60/55/12/615605512.db2.gz FIYTZJLZJYWCOM-CQSZACIVSA-N 1 1 296.361 2.800 50 0 CFAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078309 617962516 /nfs/dbraw/zinc/96/25/16/617962516.db2.gz CCKDFFOOFQYJFW-ABAIWWIYSA-N 1 1 266.335 2.633 50 0 CFAAMO C=CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000848979116 623786305 /nfs/dbraw/zinc/78/63/05/623786305.db2.gz DHYPPZIQIOECLF-GOSISDBHSA-N 1 1 284.403 2.687 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000104961620 623997048 /nfs/dbraw/zinc/99/70/48/623997048.db2.gz AEEMHSBZPOVDLY-NSHDSACASA-N 1 1 289.297 2.541 50 0 CFAAMO Cc1ccc(-c2noc(C[C@H]3CC[N@H+](C)C3)n2)cc1F ZINC000874435447 624452606 /nfs/dbraw/zinc/45/26/06/624452606.db2.gz SRFGTOLRTIRRAV-LLVKDONJSA-N 1 1 275.327 2.678 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000155122106 624633810 /nfs/dbraw/zinc/63/38/10/624633810.db2.gz OOZUSHYHZBZTJU-CQSZACIVSA-N 1 1 299.374 2.556 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000195514511 650755923 /nfs/dbraw/zinc/75/59/23/650755923.db2.gz USLSOOMDJOKINM-LBPRGKRZSA-N 1 1 297.402 2.696 50 0 CFAAMO CCCn1c(C)c[nH+]c1CCNC(=O)NC1CCCCC1 ZINC000253391401 651052205 /nfs/dbraw/zinc/05/22/05/651052205.db2.gz MLWFCZCULCRUMH-UHFFFAOYSA-N 1 1 292.427 2.776 50 0 CFAAMO OC[C@H]1CCC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000104961616 647687265 /nfs/dbraw/zinc/68/72/65/647687265.db2.gz AEEMHSBZPOVDLY-LLVKDONJSA-N 1 1 289.297 2.541 50 0 CFAAMO CN(C(=O)c1ccc2ccccc2c1O)[C@@H]1CCC[N@@H+](C)C1 ZINC000123392708 647835505 /nfs/dbraw/zinc/83/55/05/647835505.db2.gz BUOIXNHTVJDKIA-CQSZACIVSA-N 1 1 298.386 2.712 50 0 CFAAMO CC(=O)N1CCC([N@@H+]2CCO[C@@H](CCCC(C)C)C2)CC1 ZINC000015072185 651184515 /nfs/dbraw/zinc/18/45/15/651184515.db2.gz ZMNIYEYTHZESNI-KRWDZBQOSA-N 1 1 296.455 2.524 50 0 CFAAMO COc1cccc(C[C@H]2C[N@H+](C3CCCC3)CCO2)c1 ZINC000019339823 651289328 /nfs/dbraw/zinc/28/93/28/651289328.db2.gz OIMIAQXGTASMIN-KRWDZBQOSA-N 1 1 275.392 2.881 50 0 CFAAMO O=C(c1ccc2occc2c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000020109912 651296689 /nfs/dbraw/zinc/29/66/89/651296689.db2.gz VIZYVSNOYLJQDE-HNNXBMFYSA-N 1 1 284.359 2.743 50 0 CFAAMO C[N@H+](Cc1[nH]nc2c1CCCCC2)CC1CCOCC1 ZINC000020149596 651297346 /nfs/dbraw/zinc/29/73/46/651297346.db2.gz SLUXVOYGKINPBV-UHFFFAOYSA-N 1 1 277.412 2.537 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000020560599 651299644 /nfs/dbraw/zinc/29/96/44/651299644.db2.gz YZFACSBAEWCVEX-CQSZACIVSA-N 1 1 262.328 2.918 50 0 CFAAMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000194658315 775202012 /nfs/dbraw/zinc/20/20/12/775202012.db2.gz LWMREIMCXIFTJE-AWEZNQCLSA-N 1 1 299.374 2.556 50 0 CFAAMO CC(C)c1nccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000585651300 776543690 /nfs/dbraw/zinc/54/36/90/776543690.db2.gz CFZZJUACKPQNSQ-FUNVUKJBSA-N 1 1 261.369 2.604 50 0 CFAAMO Cc1ccnc(N[C@@H]2CC[N@H+](C)C[C@@H]2Cc2ccccc2)n1 ZINC000032541034 779028016 /nfs/dbraw/zinc/02/80/16/779028016.db2.gz NWLQXJNDCXEURU-DLBZAZTESA-N 1 1 296.418 2.760 50 0 CFAAMO Cc1nccn1C[C@@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000821751148 781885521 /nfs/dbraw/zinc/88/55/21/781885521.db2.gz JZMHBJPAAZHVBS-MRXNPFEDSA-N 1 1 298.434 2.792 50 0 CFAAMO CC(C)c1nc(CN2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000822279793 781894830 /nfs/dbraw/zinc/89/48/30/781894830.db2.gz PEXZORUOJQLWIT-UHFFFAOYSA-N 1 1 285.395 2.772 50 0 CFAAMO C[C@H]1C[NH+](Cc2nc(N)c3ccccc3n2)C[C@H](C)S1 ZINC000096443508 230373968 /nfs/dbraw/zinc/37/39/68/230373968.db2.gz QXELUBYNZFACHN-QWRGUYRKSA-N 1 1 288.420 2.538 50 0 CFAAMO Cc1cccc(CNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000096500037 230384519 /nfs/dbraw/zinc/38/45/19/230384519.db2.gz IYQFLQHKIKUKCG-UHFFFAOYSA-N 1 1 271.364 2.631 50 0 CFAAMO C[NH+](C)[C@H]1CCCN(Cc2cc(C(C)(C)C)[nH]n2)CC1 ZINC000097831094 230387706 /nfs/dbraw/zinc/38/77/06/230387706.db2.gz HGKKLKALTUHFHG-AWEZNQCLSA-N 1 1 278.444 2.623 50 0 CFAAMO Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000222830229 230398719 /nfs/dbraw/zinc/39/87/19/230398719.db2.gz YBSVWAIBNMQNHA-MRXNPFEDSA-N 1 1 298.386 2.952 50 0 CFAAMO CC[N@H+]1CC=C(c2ccccc2)[C@@H](C(=O)OC(C)C)C1 ZINC000095918270 185030801 /nfs/dbraw/zinc/03/08/01/185030801.db2.gz FBQJAOUCQBHKHA-INIZCTEOSA-N 1 1 273.376 2.973 50 0 CFAAMO OCCCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000095947418 185037996 /nfs/dbraw/zinc/03/79/96/185037996.db2.gz RTPISBJIWLSICH-UHFFFAOYSA-N 1 1 296.842 2.620 50 0 CFAAMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCOC1 ZINC000095977678 185051975 /nfs/dbraw/zinc/05/19/75/185051975.db2.gz WHKKCJXFNYSKOP-NSHDSACASA-N 1 1 257.736 2.947 50 0 CFAAMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCOC1 ZINC000095977679 185052346 /nfs/dbraw/zinc/05/23/46/185052346.db2.gz WHKKCJXFNYSKOP-LLVKDONJSA-N 1 1 257.736 2.947 50 0 CFAAMO C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cccnc1 ZINC000095981761 185053937 /nfs/dbraw/zinc/05/39/37/185053937.db2.gz CTGPDCXSMXTMGM-UHFFFAOYSA-N 1 1 268.360 2.691 50 0 CFAAMO Cc1[nH+]ccn1CCCCOc1ccc2c(c1)OCCO2 ZINC000096002057 185061760 /nfs/dbraw/zinc/06/17/60/185061760.db2.gz VPHUPMDXNXEZFX-UHFFFAOYSA-N 1 1 288.347 2.822 50 0 CFAAMO CC[N@H+](Cc1nc(-c2ccc3c(c2)CCO3)no1)C1CC1 ZINC000096009452 185064538 /nfs/dbraw/zinc/06/45/38/185064538.db2.gz DXYUWWUROXFJLN-UHFFFAOYSA-N 1 1 285.347 2.656 50 0 CFAAMO CC[N@@H+](Cc1nc(-c2ccc3c(c2)CCO3)no1)C1CC1 ZINC000096009452 185064539 /nfs/dbraw/zinc/06/45/39/185064539.db2.gz DXYUWWUROXFJLN-UHFFFAOYSA-N 1 1 285.347 2.656 50 0 CFAAMO COc1ccc(C)nc1-c1ccccc1C[NH+]1CCOCC1 ZINC000096131167 185103672 /nfs/dbraw/zinc/10/36/72/185103672.db2.gz VJKMRANFXQPLFD-UHFFFAOYSA-N 1 1 298.386 2.898 50 0 CFAAMO Cc1ccc(-c2cccc(-n3cccn3)c2)c(N)[nH+]1 ZINC000096149409 185107091 /nfs/dbraw/zinc/10/70/91/185107091.db2.gz GASYFZHROVMIHS-UHFFFAOYSA-N 1 1 250.305 2.825 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@H]1CCC[C@@H]1SC ZINC000097033990 185157745 /nfs/dbraw/zinc/15/77/45/185157745.db2.gz DLQIWNAQSVXMJU-KBPBESRZSA-N 1 1 267.442 2.698 50 0 CFAAMO Cc1ncc([C@@H](C)NC[C@@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC000090854110 282164139 /nfs/dbraw/zinc/16/41/39/282164139.db2.gz XKOGTNTUUIJEJI-CJNGLKHVSA-N 1 1 290.455 2.864 50 0 CFAAMO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(C)C)c(C)n1 ZINC000090854110 282164140 /nfs/dbraw/zinc/16/41/40/282164140.db2.gz XKOGTNTUUIJEJI-CJNGLKHVSA-N 1 1 290.455 2.864 50 0 CFAAMO Cn1ccnc1C[NH2+][C@H]1CCCc2c1cnn2C(C)(C)C ZINC000072274467 346924687 /nfs/dbraw/zinc/92/46/87/346924687.db2.gz ISKCNRDWJXHOHV-ZDUSSCGKSA-N 1 1 287.411 2.539 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2)CC1)c1ccco1 ZINC000003334092 282237067 /nfs/dbraw/zinc/23/70/67/282237067.db2.gz MRVRQRLPLKULNT-OAHLLOKOSA-N 1 1 298.386 2.730 50 0 CFAAMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC3OCCO3)C2)c1 ZINC000126805948 187263339 /nfs/dbraw/zinc/26/33/39/187263339.db2.gz WPKIYEMDDRKFMG-OAHLLOKOSA-N 1 1 275.392 2.856 50 0 CFAAMO C[N@@H+](C[C@H]1CCCCO1)[C@@H](CCO)c1ccccc1 ZINC000096441584 529963452 /nfs/dbraw/zinc/96/34/52/529963452.db2.gz GFANMBXRTJCASX-CVEARBPZSA-N 1 1 263.381 2.611 50 0 CFAAMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000075093164 347054288 /nfs/dbraw/zinc/05/42/88/347054288.db2.gz YTXKYKPTAMTDPF-DOMZBBRYSA-N 1 1 271.364 2.734 50 0 CFAAMO C[N@H+](Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444970 529994863 /nfs/dbraw/zinc/99/48/63/529994863.db2.gz VLILDLFRWPNGNZ-GJZGRUSLSA-N 1 1 299.411 2.613 50 0 CFAAMO C[N@@H+](Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444970 529994864 /nfs/dbraw/zinc/99/48/64/529994864.db2.gz VLILDLFRWPNGNZ-GJZGRUSLSA-N 1 1 299.411 2.613 50 0 CFAAMO COc1ccc(-c2nc3ccccc3[nH+]c2NN)cc1 ZINC000006660440 346214789 /nfs/dbraw/zinc/21/47/89/346214789.db2.gz AAEFREKEVIRPML-UHFFFAOYSA-N 1 1 266.304 2.591 50 0 CFAAMO COc1ccc2[nH]cc([C@@H](O)C[N@H+]3CCC[C@H](C)C3)c2c1 ZINC000005164687 346211201 /nfs/dbraw/zinc/21/12/01/346211201.db2.gz NPLPQYZRGWDEBQ-SJCJKPOMSA-N 1 1 288.391 2.942 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)cc2)on1 ZINC000011248961 346229129 /nfs/dbraw/zinc/22/91/29/346229129.db2.gz QWKGKLNRPXQMGP-ZDUSSCGKSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)cc2)on1 ZINC000011248961 346229130 /nfs/dbraw/zinc/22/91/30/346229130.db2.gz QWKGKLNRPXQMGP-ZDUSSCGKSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1cc(CN2CCC[N@H+](C)CC2)c2ccccc2n1 ZINC000020538465 346245090 /nfs/dbraw/zinc/24/50/90/346245090.db2.gz VESNHBIITGDFJF-UHFFFAOYSA-N 1 1 269.392 2.681 50 0 CFAAMO Cc1cc(C[N@H+]2CCCN(C)CC2)c2ccccc2n1 ZINC000020538465 346245093 /nfs/dbraw/zinc/24/50/93/346245093.db2.gz VESNHBIITGDFJF-UHFFFAOYSA-N 1 1 269.392 2.681 50 0 CFAAMO Cc1cc(C[N@@H+]2CCCN(C)CC2)c2ccccc2n1 ZINC000020538465 346245095 /nfs/dbraw/zinc/24/50/95/346245095.db2.gz VESNHBIITGDFJF-UHFFFAOYSA-N 1 1 269.392 2.681 50 0 CFAAMO Cc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000128405733 187368393 /nfs/dbraw/zinc/36/83/93/187368393.db2.gz AHQIDETWPJPZQR-LBPRGKRZSA-N 1 1 261.394 2.780 50 0 CFAAMO CC[C@H]1[C@H](c2ccc(C)cc2)CC[N@H+]1CCS(C)(=O)=O ZINC000076109597 347120321 /nfs/dbraw/zinc/12/03/21/347120321.db2.gz IWYKNTXKYRUWQT-HOTGVXAUSA-N 1 1 295.448 2.608 50 0 CFAAMO CC(=O)N1CCC([C@@H]2CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000169783913 348052693 /nfs/dbraw/zinc/05/26/93/348052693.db2.gz YAIOOLPJBOULCJ-OAHLLOKOSA-N 1 1 292.448 2.829 50 0 CFAAMO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000170604355 348055815 /nfs/dbraw/zinc/05/58/15/348055815.db2.gz IXDURIQYAZEGOS-XYSPPFBYSA-N 1 1 269.454 2.822 50 0 CFAAMO CC(C)(C)OC(=O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000170639913 348058482 /nfs/dbraw/zinc/05/84/82/348058482.db2.gz JSLNOUQNHWCMSB-UHFFFAOYSA-N 1 1 253.386 2.984 50 0 CFAAMO COc1ccc([C@@H](C)C[N@@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000195550299 348146050 /nfs/dbraw/zinc/14/60/50/348146050.db2.gz IZCODVSQWNHFED-RNODOKPDSA-N 1 1 295.448 2.642 50 0 CFAAMO COc1ccc([C@@H](C)C[N@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000195550299 348146052 /nfs/dbraw/zinc/14/60/52/348146052.db2.gz IZCODVSQWNHFED-RNODOKPDSA-N 1 1 295.448 2.642 50 0 CFAAMO [NH3+]CC(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000220670882 348170607 /nfs/dbraw/zinc/17/06/07/348170607.db2.gz FHXQCPHSXTVXQP-UHFFFAOYSA-N 1 1 260.593 2.804 50 0 CFAAMO CN(Cc1cnc(-c2ccccc2)s1)[C@H]1CC[N@@H+](C)C1 ZINC000230506748 348206049 /nfs/dbraw/zinc/20/60/49/348206049.db2.gz HMWWZBHSSBOAOX-AWEZNQCLSA-N 1 1 287.432 2.946 50 0 CFAAMO CN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C1 ZINC000230506748 348206050 /nfs/dbraw/zinc/20/60/50/348206050.db2.gz HMWWZBHSSBOAOX-AWEZNQCLSA-N 1 1 287.432 2.946 50 0 CFAAMO CN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C1 ZINC000230506748 348206051 /nfs/dbraw/zinc/20/60/51/348206051.db2.gz HMWWZBHSSBOAOX-AWEZNQCLSA-N 1 1 287.432 2.946 50 0 CFAAMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cnn(C)c1 ZINC000255169209 348303034 /nfs/dbraw/zinc/30/30/34/348303034.db2.gz IPQJNMWYLZLLFA-ZROIWOOFSA-N 1 1 255.365 2.955 50 0 CFAAMO Cc1cnc(C2CC2)n1[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000409421096 348600713 /nfs/dbraw/zinc/60/07/13/348600713.db2.gz HIYRTICAPBLHOZ-MRXNPFEDSA-N 1 1 282.391 2.911 50 0 CFAAMO Cc1cnc(C2CC2)n1[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000409421096 348600716 /nfs/dbraw/zinc/60/07/16/348600716.db2.gz HIYRTICAPBLHOZ-MRXNPFEDSA-N 1 1 282.391 2.911 50 0 CFAAMO CN1CCC([NH2+][C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000584890072 348728197 /nfs/dbraw/zinc/72/81/97/348728197.db2.gz VNEFGHJJTOVWOO-SFHVURJKSA-N 1 1 299.393 2.994 50 0 CFAAMO Clc1ccc2nc(CCC[NH2+][C@@H]3CCCOC3)[nH]c2c1 ZINC000584894378 348730460 /nfs/dbraw/zinc/73/04/60/348730460.db2.gz FMZJJSFOKYVUOX-GFCCVEGCSA-N 1 1 293.798 2.918 50 0 CFAAMO Cc1cc(CNC(=O)[C@H](C)[N@@H+](C)C2CCCCC2)ccn1 ZINC000584900932 348732849 /nfs/dbraw/zinc/73/28/49/348732849.db2.gz OHIUAMRZFSITCT-AWEZNQCLSA-N 1 1 289.423 2.659 50 0 CFAAMO CCc1[nH+]ccn1C[C@H](C)N1CC(Oc2ccccc2)C1 ZINC000584901286 348733125 /nfs/dbraw/zinc/73/31/25/348733125.db2.gz MJNWGVWGELQMFD-AWEZNQCLSA-N 1 1 285.391 2.597 50 0 CFAAMO CCCOC1CC[NH+](C[C@@H](N)c2ccccc2)CC1 ZINC000584904633 348733744 /nfs/dbraw/zinc/73/37/44/348733744.db2.gz SWSSDVBQQMTKOS-MRXNPFEDSA-N 1 1 262.397 2.577 50 0 CFAAMO Cc1ccc(C)c2c(=O)cc(C[NH2+]Cc3nccs3)[nH]c12 ZINC000091486861 180167710 /nfs/dbraw/zinc/16/77/10/180167710.db2.gz MINPDRQCGXEXCY-UHFFFAOYSA-N 1 1 299.399 2.891 50 0 CFAAMO CCCc1cncnc1N1C[C@H]2CC[C@H](C[N@@H+]2CCC)C1 ZINC000091562973 180192727 /nfs/dbraw/zinc/19/27/27/180192727.db2.gz FTZXJQZNNLSZAQ-GDBMZVCRSA-N 1 1 288.439 2.740 50 0 CFAAMO CCN1C[C@@H](C[N@@H+](C)C[C@H](C)c2ccccc2)CC1=O ZINC000105112618 186041811 /nfs/dbraw/zinc/04/18/11/186041811.db2.gz LYWFJQXOQYQPTH-LSDHHAIUSA-N 1 1 274.408 2.590 50 0 CFAAMO COCC[C@@]1(CO)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000091625020 180209700 /nfs/dbraw/zinc/20/97/00/180209700.db2.gz YIXCLBXWAJBQMV-SFHVURJKSA-N 1 1 291.435 2.730 50 0 CFAAMO Cc1[nH+]ccn1[C@H](C)c1ncnn1C1Cc2ccccc2C1 ZINC000091643730 180214283 /nfs/dbraw/zinc/21/42/83/180214283.db2.gz MIBWSEJHEFXQCW-GFCCVEGCSA-N 1 1 293.374 2.732 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@H](CNc3ccncn3)C2)cc1 ZINC000091680111 180226252 /nfs/dbraw/zinc/22/62/52/180226252.db2.gz SJEXHLOBZMBODV-MRXNPFEDSA-N 1 1 282.391 2.801 50 0 CFAAMO Cc1nc(C[NH2+]Cc2cc(=O)c3cc(C)ccc3[nH]2)cs1 ZINC000091724305 180242008 /nfs/dbraw/zinc/24/20/08/180242008.db2.gz KAJIRXFNTIKFJI-UHFFFAOYSA-N 1 1 299.399 2.891 50 0 CFAAMO Cc1c[nH+]c(NC[C@H]2COc3ccccc3C2)nc1N(C)C ZINC000091965512 180294192 /nfs/dbraw/zinc/29/41/92/180294192.db2.gz BQDVZEFOAVTIMD-ZDUSSCGKSA-N 1 1 298.390 2.514 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCC(C)CC2)C1 ZINC000092101857 180325721 /nfs/dbraw/zinc/32/57/21/180325721.db2.gz MGOXGWUJKATRED-BCLQGDPASA-N 1 1 266.429 2.613 50 0 CFAAMO C1=CC[C@@H](C[N@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC000106969230 186154760 /nfs/dbraw/zinc/15/47/60/186154760.db2.gz GGTOXXREXJINNM-QGZVFWFLSA-N 1 1 285.435 2.946 50 0 CFAAMO CCc1cc(CN[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH]n1 ZINC000107068707 186159319 /nfs/dbraw/zinc/15/93/19/186159319.db2.gz MUXRBSDRRBQCPV-RHSMWYFYSA-N 1 1 298.434 2.897 50 0 CFAAMO CCc1cc(CN[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH]n1 ZINC000107068707 186159321 /nfs/dbraw/zinc/15/93/21/186159321.db2.gz MUXRBSDRRBQCPV-RHSMWYFYSA-N 1 1 298.434 2.897 50 0 CFAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2)C1 ZINC000110641703 186309295 /nfs/dbraw/zinc/30/92/95/186309295.db2.gz KYGBQECUITXZHO-ZIAGYGMSSA-N 1 1 278.421 2.841 50 0 CFAAMO Cc1[nH+]ccn1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000123528600 187096964 /nfs/dbraw/zinc/09/69/64/187096964.db2.gz DZLCYFJTFJXALQ-UHFFFAOYSA-N 1 1 264.712 2.664 50 0 CFAAMO COc1ccc(OCCC[N@@H+](C)CC2CCOCC2)cc1 ZINC000155810258 188228781 /nfs/dbraw/zinc/22/87/81/188228781.db2.gz BAAAGDNPDQXJOU-UHFFFAOYSA-N 1 1 293.407 2.823 50 0 CFAAMO CSc1nc(C[NH2+][C@H]2CCC[C@H](C)C2)cc(=O)[nH]1 ZINC000685943245 540022462 /nfs/dbraw/zinc/02/24/62/540022462.db2.gz HXJKPUVUMYJXTI-UWVGGRQHSA-N 1 1 267.398 2.572 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC2(C)COC2)c(Cl)c1OC ZINC000628423176 354583576 /nfs/dbraw/zinc/58/35/76/354583576.db2.gz GUXAEPGYIPARTI-UHFFFAOYSA-N 1 1 299.798 2.826 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000078316822 540156469 /nfs/dbraw/zinc/15/64/69/540156469.db2.gz FUSCLSLEFKWWKU-IYBDPMFKSA-N 1 1 295.471 2.938 50 0 CFAAMO C[N@@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)CO ZINC000294738173 199160451 /nfs/dbraw/zinc/16/04/51/199160451.db2.gz GYLFXGTULMOPEN-SNAWJCMRSA-N 1 1 251.345 2.789 50 0 CFAAMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000177741760 189066903 /nfs/dbraw/zinc/06/69/03/189066903.db2.gz VUULXVYUDRWFAC-ZDUSSCGKSA-N 1 1 278.783 2.569 50 0 CFAAMO CC1(C)CN(c2cc[nH+]c3ccsc32)CC[S@@]1=O ZINC000088757031 540715705 /nfs/dbraw/zinc/71/57/05/540715705.db2.gz MNHISQYRQDLKOS-GOSISDBHSA-N 1 1 280.418 2.644 50 0 CFAAMO Cc1cc[nH+]c(N2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178060861 189088823 /nfs/dbraw/zinc/08/88/23/189088823.db2.gz YGGXXUOICOCWSM-LBPRGKRZSA-N 1 1 262.353 2.558 50 0 CFAAMO Fc1ccc(/C=C/C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179468489 189196385 /nfs/dbraw/zinc/19/63/85/189196385.db2.gz DJMLQVGAYZIVRL-VQRJYJFOSA-N 1 1 286.354 2.768 50 0 CFAAMO C[C@H]1CCCN(C(=O)C[NH2+]C2(c3ccccc3F)CC2)C1 ZINC000179655123 189210070 /nfs/dbraw/zinc/21/00/70/189210070.db2.gz HXMMBIFCTNUEFT-ZDUSSCGKSA-N 1 1 290.382 2.663 50 0 CFAAMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cnccc2Cl)C1 ZINC000670444884 540997543 /nfs/dbraw/zinc/99/75/43/540997543.db2.gz XELXTHIUMQIIKG-LBPRGKRZSA-N 1 1 268.788 2.718 50 0 CFAAMO CO[C@H]1CC[N@H+](C2CCN(c3cccc(C)c3C)CC2)C1 ZINC000670452749 541000430 /nfs/dbraw/zinc/00/04/30/541000430.db2.gz WJQFHMKUOHLAKP-KRWDZBQOSA-N 1 1 288.435 2.993 50 0 CFAAMO CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCc2ccccc21 ZINC000670456696 541001690 /nfs/dbraw/zinc/00/16/90/541001690.db2.gz PMVQGRFXXRNPEP-MRXNPFEDSA-N 1 1 297.402 2.682 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(-c2ccccc2)n1 ZINC000670465556 541005810 /nfs/dbraw/zinc/00/58/10/541005810.db2.gz GNDYSNKPTDGTCN-FICVDOATSA-N 1 1 299.374 2.878 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(-c2ccccc2)n1 ZINC000670465556 541005811 /nfs/dbraw/zinc/00/58/11/541005811.db2.gz GNDYSNKPTDGTCN-FICVDOATSA-N 1 1 299.374 2.878 50 0 CFAAMO Cc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465617 541006344 /nfs/dbraw/zinc/00/63/44/541006344.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 1 1 298.434 2.672 50 0 CFAAMO Cc1cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000670465617 541006346 /nfs/dbraw/zinc/00/63/46/541006346.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 1 1 298.434 2.672 50 0 CFAAMO Cc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000670465617 541006348 /nfs/dbraw/zinc/00/63/48/541006348.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 1 1 298.434 2.672 50 0 CFAAMO C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CCOC1 ZINC000182443963 189323890 /nfs/dbraw/zinc/32/38/90/189323890.db2.gz KGRROJASMWHASZ-INIZCTEOSA-N 1 1 263.381 2.562 50 0 CFAAMO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000024515290 283918726 /nfs/dbraw/zinc/91/87/26/283918726.db2.gz KMXHAAODNRQSKS-KRWDZBQOSA-N 1 1 280.371 2.796 50 0 CFAAMO COCC[C@@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000268021988 541667249 /nfs/dbraw/zinc/66/72/49/541667249.db2.gz VZMDESVWMYINJL-OAHLLOKOSA-N 1 1 262.397 2.624 50 0 CFAAMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000331812964 204190084 /nfs/dbraw/zinc/19/00/84/204190084.db2.gz LPFMMVDEJLTEOQ-QWHCGFSZSA-N 1 1 289.383 2.535 50 0 CFAAMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000331812964 204190088 /nfs/dbraw/zinc/19/00/88/204190088.db2.gz LPFMMVDEJLTEOQ-QWHCGFSZSA-N 1 1 289.383 2.535 50 0 CFAAMO COc1cccc(C[N@@H+](C)CCc2ccccn2)c1OC ZINC000000200555 371555886 /nfs/dbraw/zinc/55/58/86/371555886.db2.gz MGYKYUIHCFUAIJ-UHFFFAOYSA-N 1 1 286.375 2.773 50 0 CFAAMO C[N@@H+](CCc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000000213399 371558464 /nfs/dbraw/zinc/55/84/64/371558464.db2.gz FQAPRQPZGXEXHX-QGZVFWFLSA-N 1 1 255.361 2.895 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000000211744 371559707 /nfs/dbraw/zinc/55/97/07/371559707.db2.gz LYEUTTLOUGQRTB-GFCCVEGCSA-N 1 1 284.197 2.796 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000000238330 371564139 /nfs/dbraw/zinc/56/41/39/371564139.db2.gz AMKUTZRLOAXXMQ-ZDUSSCGKSA-N 1 1 265.328 2.601 50 0 CFAAMO c1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000000237196 371565135 /nfs/dbraw/zinc/56/51/35/371565135.db2.gz SHTHGAITDSOQJU-UHFFFAOYSA-N 1 1 267.328 2.974 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000000278617 371576429 /nfs/dbraw/zinc/57/64/29/371576429.db2.gz CLFOEIXTCSWHRB-HNNXBMFYSA-N 1 1 261.365 2.504 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000000294396 371579665 /nfs/dbraw/zinc/57/96/65/371579665.db2.gz NJTNWIURFFHANU-HNNXBMFYSA-N 1 1 261.365 2.770 50 0 CFAAMO C[N@@H+](CCOC(=O)c1ccco1)Cc1ccccc1 ZINC000000315434 371585874 /nfs/dbraw/zinc/58/58/74/371585874.db2.gz GJJQKYCKPLVBRP-UHFFFAOYSA-N 1 1 259.305 2.568 50 0 CFAAMO C[NH+]1CCN(c2ccc(C(=O)c3cccc(F)c3)cc2)CC1 ZINC000000351877 371592415 /nfs/dbraw/zinc/59/24/15/371592415.db2.gz LXIOFNFUQXQVJA-UHFFFAOYSA-N 1 1 298.361 2.809 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)c2cc3ccccc3o2)C1 ZINC000000375708 371598973 /nfs/dbraw/zinc/59/89/73/371598973.db2.gz NDXQYVAHQGOQKS-GFCCVEGCSA-N 1 1 259.305 2.684 50 0 CFAAMO CCC(=O)c1c2c(c(C)[nH+]c1N1CCOCC1)CCCC2 ZINC000000385882 371602079 /nfs/dbraw/zinc/60/20/79/371602079.db2.gz BLEYLUUXNHMGDL-UHFFFAOYSA-N 1 1 288.391 2.698 50 0 CFAAMO Cc1ccc(NC(=O)C[NH2+]Cc2ccco2)cc1Cl ZINC000000411308 371608378 /nfs/dbraw/zinc/60/83/78/371608378.db2.gz RKDWFVDRXCPKRU-UHFFFAOYSA-N 1 1 278.739 2.970 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000001462612 371677380 /nfs/dbraw/zinc/67/73/80/371677380.db2.gz NQORPPOOEJKAEV-UXLLHSPISA-N 1 1 277.408 2.827 50 0 CFAAMO COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC2 ZINC000000895617 371653909 /nfs/dbraw/zinc/65/39/09/371653909.db2.gz BOKVLBSSPUTWLV-MRXNPFEDSA-N 1 1 299.370 2.878 50 0 biogenic,in-vitro CFAAMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000002169559 371718455 /nfs/dbraw/zinc/71/84/55/371718455.db2.gz PHOIDJGLYWEUEK-CQSZACIVSA-N 1 1 276.380 2.786 50 0 CFAAMO O=C(C[NH+]1CCCC1)OCCCC1CCCCC1 ZINC000002476730 371727316 /nfs/dbraw/zinc/72/73/16/371727316.db2.gz YMKCNGIBEDREGD-UHFFFAOYSA-N 1 1 253.386 2.986 50 0 CFAAMO CCOC(=O)CCCC(=O)c1ccccc1C[NH+]1CCC1 ZINC000002515647 371731307 /nfs/dbraw/zinc/73/13/07/371731307.db2.gz PKVKRFCTUZIKLI-UHFFFAOYSA-N 1 1 289.375 2.808 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2)CC1)c1ccco1 ZINC000003334090 371793097 /nfs/dbraw/zinc/79/30/97/371793097.db2.gz MRVRQRLPLKULNT-HNNXBMFYSA-N 1 1 298.386 2.730 50 0 CFAAMO Cc1ccc(-c2csc(NC(=O)C[NH+](C)C)n2)cc1 ZINC000003218404 371780801 /nfs/dbraw/zinc/78/08/01/371780801.db2.gz BCRNGGPFMLUIOY-UHFFFAOYSA-N 1 1 275.377 2.619 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccco1)C(=O)N1c2ccccc2C[C@H]1C ZINC000003440340 371800183 /nfs/dbraw/zinc/80/01/83/371800183.db2.gz BDWQDHSMFPQUBF-CHWSQXEVSA-N 1 1 284.359 2.736 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000003684340 371815925 /nfs/dbraw/zinc/81/59/25/371815925.db2.gz FCQZTMQPGJIPPF-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000003684340 371815935 /nfs/dbraw/zinc/81/59/35/371815935.db2.gz FCQZTMQPGJIPPF-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO CCC(=O)Nc1cccc(Cl)c1N1CC[NH+](CC)CC1 ZINC000005027961 371877434 /nfs/dbraw/zinc/87/74/34/371877434.db2.gz AAWXCDWJQRGIIO-UHFFFAOYSA-N 1 1 295.814 2.830 50 0 CFAAMO CCc1[nH+]ccn1CCCNC(=O)c1cccc(Cl)c1 ZINC000010313962 371905954 /nfs/dbraw/zinc/90/59/54/371905954.db2.gz YGGXVNJCTNLDEL-UHFFFAOYSA-N 1 1 291.782 2.919 50 0 CFAAMO CC(C)[N@H+](CCO)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012589881 371977829 /nfs/dbraw/zinc/97/78/29/371977829.db2.gz DPAUSCHVIBYHCE-UHFFFAOYSA-N 1 1 295.770 2.593 50 0 CFAAMO CC(C)[N@@H+](CCO)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012589881 371977830 /nfs/dbraw/zinc/97/78/30/371977830.db2.gz DPAUSCHVIBYHCE-UHFFFAOYSA-N 1 1 295.770 2.593 50 0 CFAAMO Cn1cc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cn1 ZINC000012708539 371981713 /nfs/dbraw/zinc/98/17/13/371981713.db2.gz OWOCDFIDFLBRSN-INIZCTEOSA-N 1 1 288.370 2.636 50 0 CFAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](C)C1 ZINC000012748084 371984187 /nfs/dbraw/zinc/98/41/87/371984187.db2.gz XIKJMADNYSRCRP-KRWDZBQOSA-N 1 1 291.391 2.513 50 0 CFAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](C)C1 ZINC000012748081 371984345 /nfs/dbraw/zinc/98/43/45/371984345.db2.gz XIKJMADNYSRCRP-QGZVFWFLSA-N 1 1 291.391 2.513 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccco1 ZINC000012935084 372000756 /nfs/dbraw/zinc/00/07/56/372000756.db2.gz CQSOSKIJISVEKM-ZDUSSCGKSA-N 1 1 291.326 2.843 50 0 CFAAMO CCC(C)(C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000016420953 372105175 /nfs/dbraw/zinc/10/51/75/372105175.db2.gz QDKWAEAUKDSGSH-NSHDSACASA-N 1 1 280.437 2.972 50 0 CFAAMO CCC(C)(C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000016420953 372105179 /nfs/dbraw/zinc/10/51/79/372105179.db2.gz QDKWAEAUKDSGSH-NSHDSACASA-N 1 1 280.437 2.972 50 0 CFAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cccs3)sc2C1 ZINC000015880162 372094637 /nfs/dbraw/zinc/09/46/37/372094637.db2.gz ZEFAIZAXONXTHV-UHFFFAOYSA-N 1 1 293.417 2.835 50 0 CFAAMO CC[N@H+]1CCc2nc(NC(=O)c3cccs3)sc2C1 ZINC000015880162 372094647 /nfs/dbraw/zinc/09/46/47/372094647.db2.gz ZEFAIZAXONXTHV-UHFFFAOYSA-N 1 1 293.417 2.835 50 0 CFAAMO Cc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+](C)C)o1 ZINC000015860142 372094660 /nfs/dbraw/zinc/09/46/60/372094660.db2.gz SMSILJHQMZACRG-AWEZNQCLSA-N 1 1 290.338 2.760 50 0 CFAAMO Cc1ccc([C@@H](CNC(=O)c2cccs2)[NH+](C)C)o1 ZINC000015860114 372094870 /nfs/dbraw/zinc/09/48/70/372094870.db2.gz WXIWDFLIQPJALI-LLVKDONJSA-N 1 1 278.377 2.682 50 0 CFAAMO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+](C)C)o1 ZINC000015860143 372094902 /nfs/dbraw/zinc/09/49/02/372094902.db2.gz SMSILJHQMZACRG-CQSZACIVSA-N 1 1 290.338 2.760 50 0 CFAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC(C)C ZINC000016420537 372105069 /nfs/dbraw/zinc/10/50/69/372105069.db2.gz ZDERKOHEJJLPIL-LBPRGKRZSA-N 1 1 266.410 2.582 50 0 CFAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC(C)C ZINC000016420537 372105073 /nfs/dbraw/zinc/10/50/73/372105073.db2.gz ZDERKOHEJJLPIL-LBPRGKRZSA-N 1 1 266.410 2.582 50 0 CFAAMO CO[C@H]1CCCN(CC[N@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228969 372151461 /nfs/dbraw/zinc/15/14/61/372151461.db2.gz FIJPMISJQKYIGK-MSOLQXFVSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@H]1CCC[N@H+](CCN2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228969 372151468 /nfs/dbraw/zinc/15/14/68/372151468.db2.gz FIJPMISJQKYIGK-MSOLQXFVSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@H]1CCC[N@@H+](CCN2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228969 372151475 /nfs/dbraw/zinc/15/14/75/372151475.db2.gz FIJPMISJQKYIGK-MSOLQXFVSA-N 1 1 288.435 2.587 50 0 CFAAMO CCN1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1 ZINC000019634860 372179037 /nfs/dbraw/zinc/17/90/37/372179037.db2.gz QHTSFCUNVHINBX-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO CCCOc1ccc(C[NH2+]CCCN(C)C)cc1 ZINC000020091787 372228529 /nfs/dbraw/zinc/22/85/29/372228529.db2.gz DIKXPCDVWSSNQB-UHFFFAOYSA-N 1 1 250.386 2.517 50 0 CFAAMO Cc1ncccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020536689 372239463 /nfs/dbraw/zinc/23/94/63/372239463.db2.gz QCIMQEXJBAXYCO-UHFFFAOYSA-N 1 1 285.366 2.851 50 0 CFAAMO Cc1cc(OCCC[NH+]2CCOCC2)ccc1Cl ZINC000019770605 372183596 /nfs/dbraw/zinc/18/35/96/372183596.db2.gz SPOGHLFOJSQKMU-UHFFFAOYSA-N 1 1 269.772 2.750 50 0 CFAAMO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)c1 ZINC000019771290 372184238 /nfs/dbraw/zinc/18/42/38/372184238.db2.gz YGQZJYWNJRYUID-DOTOQJQBSA-N 1 1 258.409 2.972 50 0 CFAAMO O=C(/C=C/c1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019790492 372187765 /nfs/dbraw/zinc/18/77/65/372187765.db2.gz PFGPYFNLSLWTKS-CMDGGOBGSA-N 1 1 296.370 2.637 50 0 CFAAMO CN1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1 ZINC000019802467 372190039 /nfs/dbraw/zinc/19/00/39/372190039.db2.gz XLSUKOJZGMOVBW-UHFFFAOYSA-N 1 1 296.414 2.980 50 0 CFAAMO C[N@H+]1CC[C@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000019840086 372197881 /nfs/dbraw/zinc/19/78/81/372197881.db2.gz MJZGTWQPUUIFLH-ZDUSSCGKSA-N 1 1 283.375 2.959 50 0 CFAAMO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000019850515 372200347 /nfs/dbraw/zinc/20/03/47/372200347.db2.gz HRRFJZULVYGVNJ-CYBMUJFWSA-N 1 1 262.353 2.568 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1F)c1ccco1 ZINC000022858464 372246694 /nfs/dbraw/zinc/24/66/94/372246694.db2.gz XCVFROGDCSCQQU-GFCCVEGCSA-N 1 1 294.301 2.591 50 0 CFAAMO CCOc1c(CNC[C@H]2CCC[N@H+]2CC)cccc1OC ZINC000022936396 372248184 /nfs/dbraw/zinc/24/81/84/372248184.db2.gz OBTGMCDGYFCGKH-OAHLLOKOSA-N 1 1 292.423 2.668 50 0 CFAAMO CCOc1c(C[NH2+]C[C@H]2CCCN2CC)cccc1OC ZINC000022936396 372248194 /nfs/dbraw/zinc/24/81/94/372248194.db2.gz OBTGMCDGYFCGKH-OAHLLOKOSA-N 1 1 292.423 2.668 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000023281866 372255958 /nfs/dbraw/zinc/25/59/58/372255958.db2.gz FCOMFRNUTWRVLE-CQSZACIVSA-N 1 1 298.386 2.546 50 0 CFAAMO Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)c(C)c1 ZINC000023471808 372260913 /nfs/dbraw/zinc/26/09/13/372260913.db2.gz RUNNMQWVTBLAMJ-RDJZCZTQSA-N 1 1 258.409 2.972 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1nccs1 ZINC000024686801 372279491 /nfs/dbraw/zinc/27/94/91/372279491.db2.gz RIMJBTWQOJORLW-NSHDSACASA-N 1 1 275.377 2.775 50 0 CFAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000024686801 372279497 /nfs/dbraw/zinc/27/94/97/372279497.db2.gz RIMJBTWQOJORLW-NSHDSACASA-N 1 1 275.377 2.775 50 0 CFAAMO C[N@H+](CC(=O)NC(C)(C)C)Cc1cccc2cccnc21 ZINC000025816895 372307987 /nfs/dbraw/zinc/30/79/87/372307987.db2.gz RKWJXBMIOYLDIM-UHFFFAOYSA-N 1 1 285.391 2.581 50 0 CFAAMO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cccc2cccnc21 ZINC000025816895 372307992 /nfs/dbraw/zinc/30/79/92/372307992.db2.gz RKWJXBMIOYLDIM-UHFFFAOYSA-N 1 1 285.391 2.581 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@H]1c1cccs1)NC1CC1 ZINC000026904159 372331644 /nfs/dbraw/zinc/33/16/44/372331644.db2.gz FQHXKBJGCYUTCV-LBPRGKRZSA-N 1 1 264.394 2.554 50 0 CFAAMO COc1cccc(NC(=O)C[N@@H+](C(C)C)C2CC2)c1 ZINC000026940319 372333704 /nfs/dbraw/zinc/33/37/04/372333704.db2.gz NHTVTQWDWNFNCH-UHFFFAOYSA-N 1 1 262.353 2.507 50 0 CFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccsc1 ZINC000027334823 372339336 /nfs/dbraw/zinc/33/93/36/372339336.db2.gz PZQPAOVJGTWLCW-ZDUSSCGKSA-N 1 1 290.388 2.908 50 0 CFAAMO Cc1ccc(OCC[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000027373630 372341116 /nfs/dbraw/zinc/34/11/16/372341116.db2.gz AZEFZZMXSKYTCH-UHFFFAOYSA-N 1 1 298.386 2.605 50 0 CFAAMO CCC(CC)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000027989919 372355626 /nfs/dbraw/zinc/35/56/26/372355626.db2.gz OJZWSXKNDRWDBA-HNNXBMFYSA-N 1 1 292.423 2.850 50 0 CFAAMO Oc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000029630492 372384884 /nfs/dbraw/zinc/38/48/84/372384884.db2.gz NXHSHURZNFIGGJ-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO Cc1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000029828981 372385840 /nfs/dbraw/zinc/38/58/40/372385840.db2.gz ZZBRVCYLXOZPLC-LBPRGKRZSA-N 1 1 298.346 2.899 50 0 CFAAMO Cc1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000029828981 372385844 /nfs/dbraw/zinc/38/58/44/372385844.db2.gz ZZBRVCYLXOZPLC-LBPRGKRZSA-N 1 1 298.346 2.899 50 0 CFAAMO CC[C@H]1CCC[N@@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000030144177 372391178 /nfs/dbraw/zinc/39/11/78/372391178.db2.gz KHIZTSUFMCBVOT-LBPRGKRZSA-N 1 1 270.380 2.834 50 0 CFAAMO c1csc(-c2n[nH]cc2CNCC[NH+]2CCCCC2)c1 ZINC000030642732 372395265 /nfs/dbraw/zinc/39/52/65/372395265.db2.gz HNEVKEWGQDHYTF-UHFFFAOYSA-N 1 1 290.436 2.714 50 0 CFAAMO CCN(CC)c1ccc(NC(=O)Cn2cc[nH+]c2C)cc1 ZINC000030695752 372395977 /nfs/dbraw/zinc/39/59/77/372395977.db2.gz GTXBUZHXAJYLIS-UHFFFAOYSA-N 1 1 286.379 2.676 50 0 CFAAMO CC(C)=CC[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000032753382 372459873 /nfs/dbraw/zinc/45/98/73/372459873.db2.gz FHXIYEJZHVOOPR-UHFFFAOYSA-N 1 1 272.392 2.977 50 0 CFAAMO FC(F)(F)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264447 372507101 /nfs/dbraw/zinc/50/71/01/372507101.db2.gz GBBWFNQLKOWTGS-CYBMUJFWSA-N 1 1 272.314 2.660 50 0 CFAAMO C[N@@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@H](c2ccccc2)C1 ZINC000034803542 372514283 /nfs/dbraw/zinc/51/42/83/372514283.db2.gz WFOVYQVABSOZLJ-RDJZCZTQSA-N 1 1 284.403 2.858 50 0 CFAAMO C[N@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@H](c2ccccc2)C1 ZINC000034803542 372514285 /nfs/dbraw/zinc/51/42/85/372514285.db2.gz WFOVYQVABSOZLJ-RDJZCZTQSA-N 1 1 284.403 2.858 50 0 CFAAMO CCC[N@H+](Cc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036100218 372557851 /nfs/dbraw/zinc/55/78/51/372557851.db2.gz WFEIAIDBWKHTIF-INIZCTEOSA-N 1 1 295.423 2.693 50 0 CFAAMO CCC[N@H+](Cc1cccs1)C[C@H](O)COCC(C)C ZINC000036096623 372558890 /nfs/dbraw/zinc/55/88/90/372558890.db2.gz FFEJFRAZISOHKW-AWEZNQCLSA-N 1 1 285.453 2.994 50 0 CFAAMO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000036976747 372618769 /nfs/dbraw/zinc/61/87/69/372618769.db2.gz HLAXOLSNYBSZSZ-NSHDSACASA-N 1 1 287.190 2.752 50 0 CFAAMO COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000037089739 372648115 /nfs/dbraw/zinc/64/81/15/372648115.db2.gz PLEAWPZYQXMBFZ-LLVKDONJSA-N 1 1 266.360 2.579 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037140289 372654083 /nfs/dbraw/zinc/65/40/83/372654083.db2.gz RWMNOWIDVTXKHE-LLVKDONJSA-N 1 1 259.353 2.535 50 0 CFAAMO CO[C@@H]1CCCN(CC[N@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000039447834 372779182 /nfs/dbraw/zinc/77/91/82/372779182.db2.gz FIJPMISJQKYIGK-ZWKOTPCHSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@@H]1CCC[N@H+](CCN2CC[C@H](c3ccccc3)C2)C1 ZINC000039447834 372779189 /nfs/dbraw/zinc/77/91/89/372779189.db2.gz FIJPMISJQKYIGK-ZWKOTPCHSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](CCN2CC[C@H](c3ccccc3)C2)C1 ZINC000039447834 372779196 /nfs/dbraw/zinc/77/91/96/372779196.db2.gz FIJPMISJQKYIGK-ZWKOTPCHSA-N 1 1 288.435 2.587 50 0 CFAAMO c1[nH]nc(-c2ccccc2)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229096 372890627 /nfs/dbraw/zinc/89/06/27/372890627.db2.gz GSWMTSBZBQORJB-AWEZNQCLSA-N 1 1 296.418 2.651 50 0 CFAAMO c1[nH]nc(-c2ccccc2)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229096 372890641 /nfs/dbraw/zinc/89/06/41/372890641.db2.gz GSWMTSBZBQORJB-AWEZNQCLSA-N 1 1 296.418 2.651 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccccc2)C1 ZINC000043131014 372977397 /nfs/dbraw/zinc/97/73/97/372977397.db2.gz LEVYGCOGUDBMAU-AWEZNQCLSA-N 1 1 275.396 2.930 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000046995480 373073993 /nfs/dbraw/zinc/07/39/93/373073993.db2.gz ODFPTXGCNGHMSJ-ZIAGYGMSSA-N 1 1 278.783 2.697 50 0 CFAAMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccccc1C ZINC000047321660 373087165 /nfs/dbraw/zinc/08/71/65/373087165.db2.gz RWBJPTVHNGZMMQ-UHFFFAOYSA-N 1 1 272.352 2.712 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)Nc1ccccc1Cl ZINC000049029914 373252077 /nfs/dbraw/zinc/25/20/77/373252077.db2.gz TXFNWEFBPYCPHT-UHFFFAOYSA-N 1 1 278.743 2.667 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000051705850 373406145 /nfs/dbraw/zinc/40/61/45/373406145.db2.gz JMYCNOMQDUXTAC-OAHLLOKOSA-N 1 1 278.327 2.596 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000054226569 373507326 /nfs/dbraw/zinc/50/73/26/373507326.db2.gz MTLOBGZEUWKBSA-YOEHRIQHSA-N 1 1 295.386 2.647 50 0 CFAAMO Cc1cc(C)c(C[NH2+][C@@H](C(N)=O)c2ccccc2)c(C)c1 ZINC000058283127 373640238 /nfs/dbraw/zinc/64/02/38/373640238.db2.gz AGEQJIFYDHHFKR-QGZVFWFLSA-N 1 1 282.387 2.928 50 0 CFAAMO Oc1ccccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000057617070 373604548 /nfs/dbraw/zinc/60/45/48/373604548.db2.gz RMEYSINQQKYKAB-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccncc1)CC2 ZINC000060474118 373697226 /nfs/dbraw/zinc/69/72/26/373697226.db2.gz JMFGFIBMTXJFLH-UHFFFAOYSA-N 1 1 298.386 2.700 50 0 CFAAMO Fc1cccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1F ZINC000065564042 373887756 /nfs/dbraw/zinc/88/77/56/373887756.db2.gz CUJJXLQVUTXTKU-CYBMUJFWSA-N 1 1 266.335 2.635 50 0 CFAAMO C[N@H+]1CCC[C@H]1CNC(=O)CCSc1ccc(F)cc1 ZINC000065590739 373891183 /nfs/dbraw/zinc/89/11/83/373891183.db2.gz ABEFZXUSYRWKLV-ZDUSSCGKSA-N 1 1 296.411 2.518 50 0 CFAAMO CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CC=CCC1 ZINC000065370214 373858578 /nfs/dbraw/zinc/85/85/78/373858578.db2.gz ZJQXGGARVWZOKI-UHFFFAOYSA-N 1 1 272.392 2.687 50 0 CFAAMO CC(C)Cc1nc([C@@H](C)n2cc[nH+]c2C(C)C)n[nH]1 ZINC000065366208 373858749 /nfs/dbraw/zinc/85/87/49/373858749.db2.gz KYXSYNBAHUPTAW-LLVKDONJSA-N 1 1 261.373 2.932 50 0 CFAAMO Cc1cccc(NC(=O)N2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC000065374239 373859092 /nfs/dbraw/zinc/85/90/92/373859092.db2.gz KPLRUKNWRPRZLL-UHFFFAOYSA-N 1 1 287.407 2.945 50 0 CFAAMO Cc1ncc(C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)[nH]1 ZINC000065398706 373866136 /nfs/dbraw/zinc/86/61/36/373866136.db2.gz AMTWMAAKGKAGMN-HNNXBMFYSA-N 1 1 284.407 2.676 50 0 CFAAMO Cc1nc(C[N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)c[nH]1 ZINC000065398706 373866140 /nfs/dbraw/zinc/86/61/40/373866140.db2.gz AMTWMAAKGKAGMN-HNNXBMFYSA-N 1 1 284.407 2.676 50 0 CFAAMO Cc1nc(C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)c[nH]1 ZINC000065398706 373866142 /nfs/dbraw/zinc/86/61/42/373866142.db2.gz AMTWMAAKGKAGMN-HNNXBMFYSA-N 1 1 284.407 2.676 50 0 CFAAMO CCN(C(=O)CC[N@@H+]1CC=CCC1)c1ccccc1C ZINC000065398436 373866275 /nfs/dbraw/zinc/86/62/75/373866275.db2.gz YVKSQSJDZSHKPL-UHFFFAOYSA-N 1 1 272.392 3.000 50 0 CFAAMO Cc1ccsc1C[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000065396854 373867010 /nfs/dbraw/zinc/86/70/10/373867010.db2.gz JMAYEHTUVCKWPP-UHFFFAOYSA-N 1 1 289.404 2.912 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000065434236 373873708 /nfs/dbraw/zinc/87/37/08/373873708.db2.gz VKMJHEUYGVNCSE-TXEJJXNPSA-N 1 1 272.352 2.895 50 0 CFAAMO CC(C)[NH+]1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 ZINC000065474604 373877605 /nfs/dbraw/zinc/87/76/05/373877605.db2.gz VVDSIVRKYADKNU-UHFFFAOYSA-N 1 1 299.374 2.508 50 0 CFAAMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)C1=O ZINC000067727249 373996047 /nfs/dbraw/zinc/99/60/47/373996047.db2.gz PNFAZRIHGYDEIX-SFHVURJKSA-N 1 1 297.402 2.612 50 0 CFAAMO Cc1ccccc1CCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067817529 374005107 /nfs/dbraw/zinc/00/51/07/374005107.db2.gz VWYDHDJKQZQOJJ-INIZCTEOSA-N 1 1 288.435 2.774 50 0 CFAAMO CCCC[C@@H]1C=CC[N@H+]1Cc1c(O)c(C)ncc1CO ZINC000067821172 374005857 /nfs/dbraw/zinc/00/58/57/374005857.db2.gz BGGJJNMSIZAAPX-CQSZACIVSA-N 1 1 276.380 2.519 50 0 CFAAMO CC[N@H+](C)[C@@H](C(=O)Nc1cnccc1OC)c1ccccc1 ZINC000068324884 374028064 /nfs/dbraw/zinc/02/80/64/374028064.db2.gz FYWFMEYHXMKPFD-MRXNPFEDSA-N 1 1 299.374 2.722 50 0 CFAAMO CC[N@@H+](C)[C@@H](C(=O)Nc1cnccc1OC)c1ccccc1 ZINC000068324884 374028067 /nfs/dbraw/zinc/02/80/67/374028067.db2.gz FYWFMEYHXMKPFD-MRXNPFEDSA-N 1 1 299.374 2.722 50 0 CFAAMO CC(C)=CC[NH+]1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000069464683 374065960 /nfs/dbraw/zinc/06/59/60/374065960.db2.gz FBTMRCDSAVMBSY-ZDUSSCGKSA-N 1 1 290.411 2.592 50 0 CFAAMO CCONC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000069509301 374070622 /nfs/dbraw/zinc/07/06/22/374070622.db2.gz WQOJTXRDTKEMRS-UHFFFAOYSA-N 1 1 264.369 2.598 50 0 CFAAMO Fc1cccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000069508399 374070914 /nfs/dbraw/zinc/07/09/14/374070914.db2.gz JYMFIEALGDWDNS-CQSZACIVSA-N 1 1 265.328 2.553 50 0 CFAAMO Fc1cccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000069508399 374070918 /nfs/dbraw/zinc/07/09/18/374070918.db2.gz JYMFIEALGDWDNS-CQSZACIVSA-N 1 1 265.328 2.553 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1csc(C)n1 ZINC000069528802 374072089 /nfs/dbraw/zinc/07/20/89/374072089.db2.gz NFJSSGZFRBMIKB-KGLIPLIRSA-N 1 1 293.436 2.540 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccccc1F ZINC000069571441 374076376 /nfs/dbraw/zinc/07/63/76/374076376.db2.gz SNGIBDXFNZKJDM-CABCVRRESA-N 1 1 276.355 2.525 50 0 CFAAMO Cc1ccsc1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000069665452 374083567 /nfs/dbraw/zinc/08/35/67/374083567.db2.gz HSONAENZRGSKGF-UHFFFAOYSA-N 1 1 280.437 2.860 50 0 CFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000069900969 374109878 /nfs/dbraw/zinc/10/98/78/374109878.db2.gz LVGZRGFSMXZHBH-ZDUSSCGKSA-N 1 1 289.404 2.659 50 0 CFAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)c1 ZINC000070039464 374117707 /nfs/dbraw/zinc/11/77/07/374117707.db2.gz XDNSRZJEMPQUEC-AWEZNQCLSA-N 1 1 296.374 2.997 50 0 CFAAMO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000069668054 374085516 /nfs/dbraw/zinc/08/55/16/374085516.db2.gz UTUTYAYTMYOUSK-QZTJIDSGSA-N 1 1 299.418 2.907 50 0 CFAAMO CCOCCN1CC[N@@H+](CCc2ccccc2)C[C@@H]1CC ZINC000069701357 374087141 /nfs/dbraw/zinc/08/71/41/374087141.db2.gz RLNNCKMUURMASM-SFHVURJKSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@@H+]1CCN(CCc2ccccc2)C[C@@H]1CC ZINC000069701357 374087149 /nfs/dbraw/zinc/08/71/49/374087149.db2.gz RLNNCKMUURMASM-SFHVURJKSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@H+]1CCN(CCc2ccccc2)C[C@@H]1CC ZINC000069701357 374087155 /nfs/dbraw/zinc/08/71/55/374087155.db2.gz RLNNCKMUURMASM-SFHVURJKSA-N 1 1 290.451 2.662 50 0 CFAAMO C(=C/c1ccccc1)\C[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000069741012 374091488 /nfs/dbraw/zinc/09/14/88/374091488.db2.gz WHMMCVBNEORLJZ-NADMHLTPSA-N 1 1 282.391 2.846 50 0 CFAAMO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)ccc1F ZINC000069810855 374100577 /nfs/dbraw/zinc/10/05/77/374100577.db2.gz XHIOEHOJOFSENV-HOTGVXAUSA-N 1 1 290.382 2.833 50 0 CFAAMO Cc1cc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)C2)no1 ZINC000069873574 374105256 /nfs/dbraw/zinc/10/52/56/374105256.db2.gz UZZYRKCJQNHSIR-HNNXBMFYSA-N 1 1 299.374 2.801 50 0 CFAAMO O=C1OCCN1CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000071915033 374232638 /nfs/dbraw/zinc/23/26/38/374232638.db2.gz LBRUVZIIANTLCC-CYBMUJFWSA-N 1 1 278.352 2.649 50 0 CFAAMO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1O ZINC000071930733 374232963 /nfs/dbraw/zinc/23/29/63/374232963.db2.gz ZTIKBALWKAJWMF-UHFFFAOYSA-N 1 1 298.386 2.723 50 0 CFAAMO Fc1ccc([C@@H]2C[N@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804922 374225384 /nfs/dbraw/zinc/22/53/84/374225384.db2.gz FTFPYXJYQOPKPK-KRWDZBQOSA-N 1 1 286.350 2.837 50 0 CFAAMO Fc1ccc([C@@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804922 374225389 /nfs/dbraw/zinc/22/53/89/374225389.db2.gz FTFPYXJYQOPKPK-KRWDZBQOSA-N 1 1 286.350 2.837 50 0 CFAAMO C[N@H+](Cc1cc[nH]n1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072479682 374255421 /nfs/dbraw/zinc/25/54/21/374255421.db2.gz YKGBQPVWUSMBGV-UHFFFAOYSA-N 1 1 287.407 2.745 50 0 CFAAMO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072479682 374255429 /nfs/dbraw/zinc/25/54/29/374255429.db2.gz YKGBQPVWUSMBGV-UHFFFAOYSA-N 1 1 287.407 2.745 50 0 CFAAMO OC[C@H]1COCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072475281 374256151 /nfs/dbraw/zinc/25/61/51/374256151.db2.gz DJQJQZCNWVUUJD-KRWDZBQOSA-N 1 1 297.398 2.794 50 0 CFAAMO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000072555223 374264845 /nfs/dbraw/zinc/26/48/45/374264845.db2.gz RUIJVHAHZJXWEU-KRWDZBQOSA-N 1 1 283.371 2.903 50 0 CFAAMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000072555223 374264847 /nfs/dbraw/zinc/26/48/47/374264847.db2.gz RUIJVHAHZJXWEU-KRWDZBQOSA-N 1 1 283.371 2.903 50 0 CFAAMO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2nc(C)c(C)o2)c1 ZINC000072269883 374238535 /nfs/dbraw/zinc/23/85/35/374238535.db2.gz PCKNLXIJODFYLQ-JQWIXIFHSA-N 1 1 262.357 2.536 50 0 CFAAMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC=C(C)C ZINC000072268707 374238667 /nfs/dbraw/zinc/23/86/67/374238667.db2.gz DZVJMNFDOUSEJV-GJZGRUSLSA-N 1 1 264.413 2.818 50 0 CFAAMO Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000072294910 374241970 /nfs/dbraw/zinc/24/19/70/374241970.db2.gz LJCQJMNXAZJMSS-USXIJHARSA-N 1 1 299.418 2.943 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNc1cc(C(C)C)nc2ccnn21 ZINC000072419217 374249160 /nfs/dbraw/zinc/24/91/60/374249160.db2.gz JQWYVUOJSIZOMY-CYBMUJFWSA-N 1 1 287.411 2.749 50 0 CFAAMO C[C@@H]1C[C@H]([N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181984 374328264 /nfs/dbraw/zinc/32/82/64/374328264.db2.gz QWXTXFFZGWJHRO-BVOGVELGSA-N 1 1 277.408 2.839 50 0 CFAAMO O=C(N1CC[NH+](C2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000074766004 374436769 /nfs/dbraw/zinc/43/67/69/374436769.db2.gz RFGJDNQLOXOKST-UHFFFAOYSA-N 1 1 288.435 2.509 50 0 CFAAMO C[N@@H+]1CCCc2c(c3cc(F)ccc3n2-c2cncnc2)C1 ZINC000075567475 374493790 /nfs/dbraw/zinc/49/37/90/374493790.db2.gz VDXLRJXTIDWKNW-UHFFFAOYSA-N 1 1 296.349 2.938 50 0 CFAAMO C[N@H+]1CCCc2c(c3cc(F)ccc3n2-c2cncnc2)C1 ZINC000075567475 374493796 /nfs/dbraw/zinc/49/37/96/374493796.db2.gz VDXLRJXTIDWKNW-UHFFFAOYSA-N 1 1 296.349 2.938 50 0 CFAAMO CCOc1ccccc1OCCn1c[nH+]c(C)c1C ZINC000075741808 374501055 /nfs/dbraw/zinc/50/10/55/374501055.db2.gz QHDLXOYGBJYAFQ-UHFFFAOYSA-N 1 1 260.337 2.978 50 0 CFAAMO Cc1nc(C)c(C)c(N(C)C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000077439853 374561973 /nfs/dbraw/zinc/56/19/73/374561973.db2.gz WMVWHXLZLOBPKI-MRXNPFEDSA-N 1 1 290.455 2.958 50 0 CFAAMO c1cncc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000078890671 374573016 /nfs/dbraw/zinc/57/30/16/374573016.db2.gz OMPZJUQMMVBJGV-AWEZNQCLSA-N 1 1 284.363 2.722 50 0 CFAAMO Cc1cc(N2CC[C@H](Nc3ccccc3)C2)nc(C)[nH+]1 ZINC000078988131 374580887 /nfs/dbraw/zinc/58/08/87/374580887.db2.gz DOLAZAMNVVATTO-HNNXBMFYSA-N 1 1 268.364 2.784 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2cccs2)no1 ZINC000081574124 374707465 /nfs/dbraw/zinc/70/74/65/374707465.db2.gz JPXRLYFLOQLSNH-JTQLQIEISA-N 1 1 293.392 2.546 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)Cc2cccs2)no1 ZINC000081574124 374707475 /nfs/dbraw/zinc/70/74/75/374707475.db2.gz JPXRLYFLOQLSNH-JTQLQIEISA-N 1 1 293.392 2.546 50 0 CFAAMO COCCC[N@H+]1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082108839 374725624 /nfs/dbraw/zinc/72/56/24/374725624.db2.gz QRXLQZWQGOFOMY-HNNXBMFYSA-N 1 1 277.412 2.509 50 0 CFAAMO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000089689313 374938470 /nfs/dbraw/zinc/93/84/70/374938470.db2.gz QGBWPOXQNBJZAK-HOTGVXAUSA-N 1 1 272.436 3.000 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccccc1 ZINC000089845644 374959174 /nfs/dbraw/zinc/95/91/74/374959174.db2.gz KRPLKLUQTVAUKA-CQSZACIVSA-N 1 1 298.390 2.618 50 0 CFAAMO O=C(CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)Nc1ccccc1 ZINC000089845644 374959180 /nfs/dbraw/zinc/95/91/80/374959180.db2.gz KRPLKLUQTVAUKA-CQSZACIVSA-N 1 1 298.390 2.618 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1)Nc1ccccc1 ZINC000089845644 374959187 /nfs/dbraw/zinc/95/91/87/374959187.db2.gz KRPLKLUQTVAUKA-CQSZACIVSA-N 1 1 298.390 2.618 50 0 CFAAMO O=C(OC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000089834889 374959227 /nfs/dbraw/zinc/95/92/27/374959227.db2.gz MTTRBUKCMMNGSD-INIZCTEOSA-N 1 1 296.370 2.761 50 0 CFAAMO C[N@@H+](Cc1ccc(F)cc1F)C1CCC(CO)CC1 ZINC000089924554 374968513 /nfs/dbraw/zinc/96/85/13/374968513.db2.gz OPGXCUJBLPVEFI-UHFFFAOYSA-N 1 1 269.335 2.948 50 0 CFAAMO C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000089922002 374968562 /nfs/dbraw/zinc/96/85/62/374968562.db2.gz CYKZBLNMJRSHMZ-TZMCWYRMSA-N 1 1 290.432 2.830 50 0 CFAAMO CC[N@@H+](Cc1noc(-c2cccs2)n1)C[C@@H]1CCOC1 ZINC000089969400 374978783 /nfs/dbraw/zinc/97/87/83/374978783.db2.gz VDGOFWPWYUQCOQ-NSHDSACASA-N 1 1 293.392 2.657 50 0 CFAAMO CC[N@H+](Cc1noc(-c2cccs2)n1)C[C@@H]1CCOC1 ZINC000089969400 374978791 /nfs/dbraw/zinc/97/87/91/374978791.db2.gz VDGOFWPWYUQCOQ-NSHDSACASA-N 1 1 293.392 2.657 50 0 CFAAMO COc1ccccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092968127 375170837 /nfs/dbraw/zinc/17/08/37/375170837.db2.gz ADFUINLHXVLYAA-OAHLLOKOSA-N 1 1 271.364 2.729 50 0 CFAAMO C[C@H]1C[C@@H](N(C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643708 375281485 /nfs/dbraw/zinc/28/14/85/375281485.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643708 375281491 /nfs/dbraw/zinc/28/14/91/375281491.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643708 375281495 /nfs/dbraw/zinc/28/14/95/375281495.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 1 1 268.351 2.879 50 0 CFAAMO COc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)c(Cl)c1OC ZINC000093840392 375320908 /nfs/dbraw/zinc/32/09/08/375320908.db2.gz XVXZZGSGJDRYEP-NSHDSACASA-N 1 1 299.798 2.826 50 0 CFAAMO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)CCO1 ZINC000095465780 375458726 /nfs/dbraw/zinc/45/87/26/375458726.db2.gz LEFDNDKZSCZHMX-LSDHHAIUSA-N 1 1 265.401 2.792 50 0 CFAAMO CCCCn1cc[nH+]c1[C@H]1CCCN(c2ncccn2)C1 ZINC000095521015 375460806 /nfs/dbraw/zinc/46/08/06/375460806.db2.gz MFMMMQDZMDBGDG-AWEZNQCLSA-N 1 1 285.395 2.857 50 0 CFAAMO C[C@]1(c2ccccc2)CCCN(c2cc[nH+]c(N)n2)C1 ZINC000095518395 375460836 /nfs/dbraw/zinc/46/08/36/375460836.db2.gz KNFYSUJDUTVKEH-INIZCTEOSA-N 1 1 268.364 2.617 50 0 CFAAMO OCC1CCN(c2[nH+]cccc2NC2CCCC2)CC1 ZINC000095988525 375466094 /nfs/dbraw/zinc/46/60/94/375466094.db2.gz RAGOHPPUJBNJGN-UHFFFAOYSA-N 1 1 275.396 2.645 50 0 CFAAMO C[N@H+]1CC[C@H]2CCN(c3ccc4ccc(F)cc4n3)[C@@H]2C1 ZINC000095994857 375466265 /nfs/dbraw/zinc/46/62/65/375466265.db2.gz BBTOBVZBLRCIPD-XJKSGUPXSA-N 1 1 285.366 2.904 50 0 CFAAMO CNc1ccc(C[C@@H]2COc3c(cccc3OC)C2)c[nH+]1 ZINC000095359622 375419449 /nfs/dbraw/zinc/41/94/49/375419449.db2.gz KZSROVOBOXPXCP-ZDUSSCGKSA-N 1 1 284.359 2.926 50 0 CFAAMO Cc1nc(C)c(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000095362386 375421280 /nfs/dbraw/zinc/42/12/80/375421280.db2.gz BNJFJOOFCCGLES-ZDUSSCGKSA-N 1 1 295.452 2.641 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000095366344 375422124 /nfs/dbraw/zinc/42/21/24/375422124.db2.gz MZBDYGIPUSJTAV-LLVKDONJSA-N 1 1 288.313 2.597 50 0 CFAAMO Cc1cnc(NCC[C@@H]2CCCC[N@@H+]2C(C)C)nc1 ZINC000095371955 375424041 /nfs/dbraw/zinc/42/40/41/375424041.db2.gz ICIXXUGKBXNYLE-AWEZNQCLSA-N 1 1 262.401 2.850 50 0 CFAAMO CCC(CC)NC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095375853 375424834 /nfs/dbraw/zinc/42/48/34/375424834.db2.gz ZICZDTDXIKQUPW-AWEZNQCLSA-N 1 1 266.360 2.733 50 0 CFAAMO Cc1ccccc1[C@@H](C(=O)NCCc1ccco1)[NH+](C)C ZINC000095391402 375429274 /nfs/dbraw/zinc/42/92/74/375429274.db2.gz MLCRGTNRNFLJLZ-INIZCTEOSA-N 1 1 286.375 2.550 50 0 CFAAMO COc1ccc([C@H]2[C@H](CNc3ncccn3)CC[N@H+]2C)cc1 ZINC000095397637 375430112 /nfs/dbraw/zinc/43/01/12/375430112.db2.gz PJPATEZLAMSCFC-HOCLYGCPSA-N 1 1 298.390 2.590 50 0 CFAAMO CCOC(=O)CCCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000095399812 375431434 /nfs/dbraw/zinc/43/14/34/375431434.db2.gz RGYVDJATBTYIOR-CYBMUJFWSA-N 1 1 265.353 2.802 50 0 CFAAMO O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCOC1)c1ccco1 ZINC000095413217 375436599 /nfs/dbraw/zinc/43/65/99/375436599.db2.gz HHSFVANVNJSTHU-HRCADAONSA-N 1 1 293.407 2.984 50 0 CFAAMO COCCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000095432346 375446454 /nfs/dbraw/zinc/44/64/54/375446454.db2.gz DVMSFBNWXFTUGF-UHFFFAOYSA-N 1 1 259.353 2.545 50 0 CFAAMO COCCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000095432346 375446460 /nfs/dbraw/zinc/44/64/60/375446460.db2.gz DVMSFBNWXFTUGF-UHFFFAOYSA-N 1 1 259.353 2.545 50 0 CFAAMO Cc1ccccc1CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000095444433 375452184 /nfs/dbraw/zinc/45/21/84/375452184.db2.gz CKYPWCHWDORJCA-UHFFFAOYSA-N 1 1 285.391 2.674 50 0 CFAAMO CC(C)c1ncc(C[N@@H+](C)CCc2ccncc2)cn1 ZINC000097243899 375545459 /nfs/dbraw/zinc/54/54/59/375545459.db2.gz VJARQXQERGSTAA-UHFFFAOYSA-N 1 1 270.380 2.670 50 0 CFAAMO C[C@](O)(C1CC[NH+](Cc2cncs2)CC1)C(F)(F)F ZINC000097162313 375533451 /nfs/dbraw/zinc/53/34/51/375533451.db2.gz PZKFYUQXSJYXNA-NSHDSACASA-N 1 1 294.342 2.668 50 0 CFAAMO Cc1n[nH]cc1C[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000097159608 375533992 /nfs/dbraw/zinc/53/39/92/375533992.db2.gz NWZCQYGLXDJIRG-UHFFFAOYSA-N 1 1 298.434 2.781 50 0 CFAAMO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202836 375539026 /nfs/dbraw/zinc/53/90/26/375539026.db2.gz UIWHDPWXBSECRH-SNVBAGLBSA-N 1 1 287.367 2.611 50 0 CFAAMO C[C@@H]1C[C@H](C)CC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000097229532 375542310 /nfs/dbraw/zinc/54/23/10/375542310.db2.gz DQHSJIVPVKQOSD-CHWSQXEVSA-N 1 1 270.417 2.879 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1ccccc1 ZINC000096401600 375484993 /nfs/dbraw/zinc/48/49/93/375484993.db2.gz HXCVEZBIHDIILG-JQPIKURYSA-N 1 1 272.392 2.690 50 0 CFAAMO CCNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096435676 375486475 /nfs/dbraw/zinc/48/64/75/375486475.db2.gz FJFHTMQXPUZWKL-INIZCTEOSA-N 1 1 289.423 2.560 50 0 CFAAMO C[C@@H](C(=O)N(C)CCC(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000096486491 375488434 /nfs/dbraw/zinc/48/84/34/375488434.db2.gz HBDFAKOPWKXXOL-AXFHLTTASA-N 1 1 280.334 2.659 50 0 CFAAMO C[N@H+](Cc1cc(Cl)cc2c1OCC2)C[C@@H]1CCOC1 ZINC000097084449 375510440 /nfs/dbraw/zinc/51/04/40/375510440.db2.gz UXMMEAOZDRKYED-NSHDSACASA-N 1 1 281.783 2.743 50 0 CFAAMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095369 375515104 /nfs/dbraw/zinc/51/51/04/375515104.db2.gz PPWORVYBTCTFMN-OLZOCXBDSA-N 1 1 258.365 2.761 50 0 CFAAMO CC1(C)C[C@H]([NH2+]Cc2nc(-c3ccco3)no2)C(C)(C)O1 ZINC000097100414 375516985 /nfs/dbraw/zinc/51/69/85/375516985.db2.gz PLKWHVDKNNFLIS-NSHDSACASA-N 1 1 291.351 2.765 50 0 CFAAMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(Br)o1 ZINC000097105583 375520505 /nfs/dbraw/zinc/52/05/05/375520505.db2.gz MSOISCPTCXZQTQ-JTQLQIEISA-N 1 1 288.185 2.777 50 0 CFAAMO CC[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1c(C)noc1C ZINC000097111099 375521788 /nfs/dbraw/zinc/52/17/88/375521788.db2.gz HQNSUHOJPMFADG-CQSZACIVSA-N 1 1 293.411 2.735 50 0 CFAAMO CC(=O)Nc1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000097113619 375525085 /nfs/dbraw/zinc/52/50/85/375525085.db2.gz WWMDWOILPRRTPC-UHFFFAOYSA-N 1 1 264.394 2.584 50 0 CFAAMO C[C@@H](C[NH+]1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000097307399 375548450 /nfs/dbraw/zinc/54/84/50/375548450.db2.gz DBDNLRXQZHIZNG-ZDUSSCGKSA-N 1 1 270.380 2.788 50 0 CFAAMO Cn1cnnc1C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000097373867 375553817 /nfs/dbraw/zinc/55/38/17/375553817.db2.gz HPCUMKVITRPSCA-AWEZNQCLSA-N 1 1 298.415 2.950 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC=CC1 ZINC000097378878 375557399 /nfs/dbraw/zinc/55/73/99/375557399.db2.gz PPQZYQWXXYHCCV-YOEHRIQHSA-N 1 1 284.403 2.589 50 0 CFAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097546603 375567784 /nfs/dbraw/zinc/56/77/84/375567784.db2.gz REKWXBCQOTZUTI-AWEZNQCLSA-N 1 1 298.789 2.970 50 0 CFAAMO C[N@H+](Cc1nccn1Cc1ccccc1)[C@H]1CCSC1 ZINC000120006976 376525786 /nfs/dbraw/zinc/52/57/86/376525786.db2.gz IPEABQOKXZSLBU-HNNXBMFYSA-N 1 1 287.432 2.869 50 0 CFAAMO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@H]1CCSC1 ZINC000120006976 376525793 /nfs/dbraw/zinc/52/57/93/376525793.db2.gz IPEABQOKXZSLBU-HNNXBMFYSA-N 1 1 287.432 2.869 50 0 CFAAMO CCCCc1noc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)n1 ZINC000132533505 377850215 /nfs/dbraw/zinc/85/02/15/377850215.db2.gz RTMFGIZBKFXPPM-NSHDSACASA-N 1 1 281.400 2.848 50 0 CFAAMO Cc1nnc(C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)n1C ZINC000134261958 377996758 /nfs/dbraw/zinc/99/67/58/377996758.db2.gz RGLKFTWCBJZROP-OAHLLOKOSA-N 1 1 284.407 2.749 50 0 CFAAMO Cc1cccc(N2CCC[C@@H](c3nnc4ccccn43)C2)[nH+]1 ZINC000156966269 378647931 /nfs/dbraw/zinc/64/79/31/378647931.db2.gz YBPTWWPMPQGMMQ-CQSZACIVSA-N 1 1 293.374 2.817 50 0 CFAAMO CC(C)Cc1csc([C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000334343313 379125782 /nfs/dbraw/zinc/12/57/82/379125782.db2.gz LXFMPHCEZLNORT-STQMWFEESA-N 1 1 266.410 2.877 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc3sccc3[nH]2)C1 ZINC000170610233 379128584 /nfs/dbraw/zinc/12/85/84/379128584.db2.gz JDVVGROPTUTCIK-LLVKDONJSA-N 1 1 291.420 2.691 50 0 CFAAMO C[NH+](C)CC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000170613053 379128659 /nfs/dbraw/zinc/12/86/59/379128659.db2.gz GKNTWFOZNQOHEJ-UHFFFAOYSA-N 1 1 265.115 2.633 50 0 CFAAMO CCC1CCC([N@@H+](CCO)Cc2cc(C)on2)CC1 ZINC000170612239 379128858 /nfs/dbraw/zinc/12/88/58/379128858.db2.gz NYXIRCWPMXLUAL-UHFFFAOYSA-N 1 1 266.385 2.746 50 0 CFAAMO Cc1ncsc1CC[N@@H+](C)Cc1nccs1 ZINC000175106481 379997910 /nfs/dbraw/zinc/99/79/10/379997910.db2.gz MVWITGZZHLDWIW-UHFFFAOYSA-N 1 1 253.396 2.583 50 0 CFAAMO Cc1ncsc1CC[N@H+](C)Cc1nccs1 ZINC000175106481 379997914 /nfs/dbraw/zinc/99/79/14/379997914.db2.gz MVWITGZZHLDWIW-UHFFFAOYSA-N 1 1 253.396 2.583 50 0 CFAAMO CCn1ncc(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)n1 ZINC000408520266 380938494 /nfs/dbraw/zinc/93/84/94/380938494.db2.gz MERPZFFIWNEAMD-INIZCTEOSA-N 1 1 288.395 2.794 50 0 CFAAMO CC(C)(C)[N@H+]1CC[C@](F)(c2nc(-c3ccncc3)no2)C1 ZINC000289666346 381092687 /nfs/dbraw/zinc/09/26/87/381092687.db2.gz ACOPMZAULXIWIJ-OAHLLOKOSA-N 1 1 290.342 2.801 50 0 CFAAMO C[N@@H+](Cc1ccncc1)Cc1cc2ccccc2[nH]c1=O ZINC000183748914 381314862 /nfs/dbraw/zinc/31/48/62/381314862.db2.gz BUBCBAICTFVBTL-UHFFFAOYSA-N 1 1 279.343 2.967 50 0 CFAAMO CSCc1noc(C[N@@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)n1 ZINC000299756234 382041000 /nfs/dbraw/zinc/04/10/00/382041000.db2.gz KFMGCASGQPYELK-NEPJUHHUSA-N 1 1 279.409 2.721 50 0 CFAAMO Cc1cc(NCC2(N3CCOCC3)CCCCC2)cc[nH+]1 ZINC000302277416 382234718 /nfs/dbraw/zinc/23/47/18/382234718.db2.gz IFGAZURWHCWQFH-UHFFFAOYSA-N 1 1 289.423 2.837 50 0 CFAAMO c1csc(C[NH+]2CCC(Cc3cccnc3)CC2)n1 ZINC000378415865 382458084 /nfs/dbraw/zinc/45/80/84/382458084.db2.gz JMYOYPJIAIUHKZ-UHFFFAOYSA-N 1 1 273.405 2.993 50 0 CFAAMO FC(F)C(F)(F)COCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000188781346 382476012 /nfs/dbraw/zinc/47/60/12/382476012.db2.gz BHLDTCQWVUTMIX-WDEREUQCSA-N 1 1 299.308 2.547 50 0 CFAAMO FC(F)C(F)(F)COCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000188781346 382476016 /nfs/dbraw/zinc/47/60/16/382476016.db2.gz BHLDTCQWVUTMIX-WDEREUQCSA-N 1 1 299.308 2.547 50 0 CFAAMO Fc1cc(Cl)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000188986989 382517920 /nfs/dbraw/zinc/51/79/20/382517920.db2.gz HNFAKXOMKOVCNQ-UHFFFAOYSA-N 1 1 294.761 2.908 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)CCCc2ccccc2)on1 ZINC000328599946 382552147 /nfs/dbraw/zinc/55/21/47/382552147.db2.gz UUMNWBAZAHXCLY-UHFFFAOYSA-N 1 1 272.348 2.942 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)CCCc2ccccc2)on1 ZINC000328599946 382552152 /nfs/dbraw/zinc/55/21/52/382552152.db2.gz UUMNWBAZAHXCLY-UHFFFAOYSA-N 1 1 272.348 2.942 50 0 CFAAMO C=CC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000390834753 382619438 /nfs/dbraw/zinc/61/94/38/382619438.db2.gz WQOLARILRHZTBA-HOCLYGCPSA-N 1 1 292.329 2.545 50 0 CFAAMO C=CC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000390834753 382619440 /nfs/dbraw/zinc/61/94/40/382619440.db2.gz WQOLARILRHZTBA-HOCLYGCPSA-N 1 1 292.329 2.545 50 0 CFAAMO FC(F)COCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000189533382 382621272 /nfs/dbraw/zinc/62/12/72/382621272.db2.gz DFNTVXLDZGQFEA-WDEREUQCSA-N 1 1 265.369 2.628 50 0 CFAAMO CCC1(CC)CCC[N@@H+](Cc2ncnn2C)CC1 ZINC000190413966 382667066 /nfs/dbraw/zinc/66/70/66/382667066.db2.gz KBXUYKSNUIXSTP-UHFFFAOYSA-N 1 1 250.390 2.607 50 0 CFAAMO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000191119370 382691893 /nfs/dbraw/zinc/69/18/93/382691893.db2.gz QFVUVBKRHQVZGU-BZSNNMDCSA-N 1 1 293.499 2.594 50 0 CFAAMO C[C@@H](C[N@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccc(F)cc1 ZINC000195572865 382769995 /nfs/dbraw/zinc/76/99/95/382769995.db2.gz HOTWVCPWLUFHAV-KBPBESRZSA-N 1 1 292.398 2.907 50 0 CFAAMO CSc1ccccc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000215321694 382778451 /nfs/dbraw/zinc/77/84/51/382778451.db2.gz DLQSWMANKULAKF-ZDUSSCGKSA-N 1 1 288.420 2.906 50 0 CFAAMO CCCn1ncc(C[N@@H+](C)C[C@@H](O)c2ccccc2)c1C ZINC000215703756 382780163 /nfs/dbraw/zinc/78/01/63/382780163.db2.gz PLLHARMIDSTDHI-QGZVFWFLSA-N 1 1 287.407 2.767 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000215789661 382780236 /nfs/dbraw/zinc/78/02/36/382780236.db2.gz OQGHDKBGXZBTQN-KRWDZBQOSA-N 1 1 299.418 2.957 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1CO ZINC000215920476 382781289 /nfs/dbraw/zinc/78/12/89/382781289.db2.gz YFLWAEYSNZNBQP-INIZCTEOSA-N 1 1 293.407 2.579 50 0 CFAAMO Cc1c(F)cccc1C[N@H+](C)CCCCN1CCOCC1 ZINC000216296745 382782997 /nfs/dbraw/zinc/78/29/97/382782997.db2.gz HQIWLRDTGHXDDQ-UHFFFAOYSA-N 1 1 294.414 2.678 50 0 CFAAMO Cc1c(F)cccc1C[N@@H+](C)CCCCN1CCOCC1 ZINC000216296745 382782998 /nfs/dbraw/zinc/78/29/98/382782998.db2.gz HQIWLRDTGHXDDQ-UHFFFAOYSA-N 1 1 294.414 2.678 50 0 CFAAMO COCc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)ccc1OC ZINC000216509012 382783590 /nfs/dbraw/zinc/78/35/90/382783590.db2.gz DWOMIMGFZZRNFR-CVEARBPZSA-N 1 1 293.407 2.577 50 0 CFAAMO CCN1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000222107674 382800799 /nfs/dbraw/zinc/80/07/99/382800799.db2.gz UWGIMAMCYKMEOJ-XJKSGUPXSA-N 1 1 264.388 2.688 50 0 CFAAMO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000222488167 382802141 /nfs/dbraw/zinc/80/21/41/382802141.db2.gz YNHPVKYUSWWEAF-LEOABGAYSA-N 1 1 269.429 2.530 50 0 CFAAMO C[C@H]1c2cccn2CC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000225260280 382813405 /nfs/dbraw/zinc/81/34/05/382813405.db2.gz KVYPFDJVFYUQRY-BLLLJJGKSA-N 1 1 274.339 2.737 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000225260280 382813407 /nfs/dbraw/zinc/81/34/07/382813407.db2.gz KVYPFDJVFYUQRY-BLLLJJGKSA-N 1 1 274.339 2.737 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000225228597 382813623 /nfs/dbraw/zinc/81/36/23/382813623.db2.gz XQDKPUIIDNGSCQ-ZFWWWQNUSA-N 1 1 274.364 2.744 50 0 CFAAMO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000225395505 382815430 /nfs/dbraw/zinc/81/54/30/382815430.db2.gz WPJMRVUKIFGGLF-UWVGGRQHSA-N 1 1 288.185 2.635 50 0 CFAAMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000225395505 382815433 /nfs/dbraw/zinc/81/54/33/382815433.db2.gz WPJMRVUKIFGGLF-UWVGGRQHSA-N 1 1 288.185 2.635 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]12)c1occc1-c1ccccc1 ZINC000229374123 382851266 /nfs/dbraw/zinc/85/12/66/382851266.db2.gz CIMMISOHPHCQOA-CVEARBPZSA-N 1 1 296.370 2.913 50 0 CFAAMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000229733717 382852891 /nfs/dbraw/zinc/85/28/91/382852891.db2.gz QMGQKLUDQDASHZ-CVEARBPZSA-N 1 1 281.371 2.750 50 0 CFAAMO C[N@@H+]1CCN(C(=O)/C=C\c2ccco2)[C@@H](c2ccccc2)C1 ZINC000229767465 382853300 /nfs/dbraw/zinc/85/33/00/382853300.db2.gz QRUMVTVVSGEMER-DOOKAGJSSA-N 1 1 296.370 2.808 50 0 CFAAMO C[N@H+]1CCN(C(=O)/C=C\c2ccco2)[C@@H](c2ccccc2)C1 ZINC000229767465 382853302 /nfs/dbraw/zinc/85/33/02/382853302.db2.gz QRUMVTVVSGEMER-DOOKAGJSSA-N 1 1 296.370 2.808 50 0 CFAAMO Cn1cncc1CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237933675 382974073 /nfs/dbraw/zinc/97/40/73/382974073.db2.gz KBTJMTNQCIPPAQ-QGZVFWFLSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1cncc1CNC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237933675 382974075 /nfs/dbraw/zinc/97/40/75/382974075.db2.gz KBTJMTNQCIPPAQ-QGZVFWFLSA-N 1 1 298.434 2.564 50 0 CFAAMO O[C@H](CN1CCC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000241588398 382983668 /nfs/dbraw/zinc/98/36/68/382983668.db2.gz PCVVMXQGOFVSSV-JKSUJKDBSA-N 1 1 294.826 2.544 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000242156013 382984530 /nfs/dbraw/zinc/98/45/30/382984530.db2.gz WVBLTBAGBRACKT-NWDGAFQWSA-N 1 1 283.334 2.581 50 0 CFAAMO C[N@@H+](CCC[C@H]1CCCO1)CCn1cnc2ccccc21 ZINC000244633553 382989035 /nfs/dbraw/zinc/98/90/35/382989035.db2.gz GEVQCIQMHJEYBP-HNNXBMFYSA-N 1 1 287.407 2.927 50 0 CFAAMO CCn1cncc1C[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000244734661 382990934 /nfs/dbraw/zinc/99/09/34/382990934.db2.gz NJQBJCKHGOCCRQ-CQSZACIVSA-N 1 1 287.407 2.975 50 0 CFAAMO C[N@@H+](Cc1cncn1Cc1ccccc1)C[C@H]1CCCCO1 ZINC000244874190 382994615 /nfs/dbraw/zinc/99/46/15/382994615.db2.gz WWGGSNHNVXYHOU-GOSISDBHSA-N 1 1 299.418 2.932 50 0 CFAAMO C[N@H+](Cc1cncn1Cc1ccccc1)C[C@H]1CCCCO1 ZINC000244874190 382994618 /nfs/dbraw/zinc/99/46/18/382994618.db2.gz WWGGSNHNVXYHOU-GOSISDBHSA-N 1 1 299.418 2.932 50 0 CFAAMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2ccsc2)C(=O)O1 ZINC000247831441 383196822 /nfs/dbraw/zinc/19/68/22/383196822.db2.gz LKUAXKZHHPOXPC-ADEWGFFLSA-N 1 1 251.351 2.589 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccsc2)C(=O)O1 ZINC000247831441 383196825 /nfs/dbraw/zinc/19/68/25/383196825.db2.gz LKUAXKZHHPOXPC-ADEWGFFLSA-N 1 1 251.351 2.589 50 0 CFAAMO C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000248151298 383214111 /nfs/dbraw/zinc/21/41/11/383214111.db2.gz BJSMNHLRNRSLEO-WBVHZDCISA-N 1 1 284.407 2.764 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000248113022 383211712 /nfs/dbraw/zinc/21/17/12/383211712.db2.gz HXCSZFBHJUHVJO-LSDHHAIUSA-N 1 1 294.345 2.664 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000248163009 383217257 /nfs/dbraw/zinc/21/72/57/383217257.db2.gz YMQDHCHTEKPRHO-LSDHHAIUSA-N 1 1 276.355 2.525 50 0 CFAAMO C[C@@H]1C[N@@H+](CCSCc2ccccc2)CC[C@H]1O ZINC000248724688 383285360 /nfs/dbraw/zinc/28/53/60/383285360.db2.gz HSOQKXXJDBRQPB-UKRRQHHQSA-N 1 1 265.422 2.623 50 0 CFAAMO CC1(C)CN(c2cc(N)[nH+]cn2)C[C@H]1c1ccccc1 ZINC000426513706 383403670 /nfs/dbraw/zinc/40/36/70/383403670.db2.gz PTBOJZPLNQLQET-ZDUSSCGKSA-N 1 1 268.364 2.689 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000426544394 383405906 /nfs/dbraw/zinc/40/59/06/383405906.db2.gz NSVUJZYKMCRRDO-CYBMUJFWSA-N 1 1 286.423 2.835 50 0 CFAAMO Clc1ccc2c(c1)ncnc2N1CC[N@H+]2CCC[C@H]2C1 ZINC000252452815 383408107 /nfs/dbraw/zinc/40/81/07/383408107.db2.gz GCQBYOSHPFWXSL-LBPRGKRZSA-N 1 1 288.782 2.568 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCCC1 ZINC000249695529 383356734 /nfs/dbraw/zinc/35/67/34/383356734.db2.gz QWYOTPGLUBJPNG-HUUCEWRRSA-N 1 1 264.413 2.652 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000252499843 383414351 /nfs/dbraw/zinc/41/43/51/383414351.db2.gz SGFOQLNPDFCENT-LLVKDONJSA-N 1 1 268.430 2.516 50 0 CFAAMO C[N@@H+](CCO[C@H]1CCCCO1)[C@@H]1CCCc2cccnc21 ZINC000252532954 383417075 /nfs/dbraw/zinc/41/70/75/383417075.db2.gz FOBPHXPSBSXFRX-CVEARBPZSA-N 1 1 290.407 2.934 50 0 CFAAMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cnc2ncccn12 ZINC000096489703 533003405 /nfs/dbraw/zinc/00/34/05/533003405.db2.gz BSDZUGRTINMTHG-ZDUSSCGKSA-N 1 1 296.374 2.931 50 0 CFAAMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cnc2ncccn12 ZINC000096489703 533003414 /nfs/dbraw/zinc/00/34/14/533003414.db2.gz BSDZUGRTINMTHG-ZDUSSCGKSA-N 1 1 296.374 2.931 50 0 CFAAMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCn1ccnc1 ZINC000289357429 197309974 /nfs/dbraw/zinc/30/99/74/197309974.db2.gz GVKWFWSACJUPDB-MRXNPFEDSA-N 1 1 273.380 2.975 50 0 CFAAMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000639970104 385799018 /nfs/dbraw/zinc/79/90/18/385799018.db2.gz JFMYMEUIHADXOX-UHFFFAOYSA-N 1 1 281.363 2.536 50 0 CFAAMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc2ccccc2n1 ZINC000274452980 385802336 /nfs/dbraw/zinc/80/23/36/385802336.db2.gz IYJLNYMDPJLENP-HNNXBMFYSA-N 1 1 298.434 2.673 50 0 CFAAMO O[C@@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000079353612 285314931 /nfs/dbraw/zinc/31/49/31/285314931.db2.gz KNMCLFCUOZUTCD-LLVKDONJSA-N 1 1 262.740 2.849 50 0 CFAAMO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccc(F)c(F)c1 ZINC000096421062 256760819 /nfs/dbraw/zinc/76/08/19/256760819.db2.gz DRGBEOGUPDAYBY-ZDUSSCGKSA-N 1 1 285.334 2.592 50 0 CFAAMO COCC[C@@H]1C[N@H+](C2CCCCCCC2)CCO1 ZINC000824384105 781991621 /nfs/dbraw/zinc/99/16/21/781991621.db2.gz GHOPTNMULHRCRR-OAHLLOKOSA-N 1 1 255.402 2.837 50 0 CFAAMO Cc1nc(C[N@H+]2CCCCC[C@H]2CCO)cs1 ZINC000342033212 130249297 /nfs/dbraw/zinc/24/92/97/130249297.db2.gz NLXNGKGYSLLHRM-ZDUSSCGKSA-N 1 1 254.399 2.579 50 0 CFAAMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C1CC1 ZINC000065473360 393631367 /nfs/dbraw/zinc/63/13/67/393631367.db2.gz WUKZGNWMPGUTLC-CYBMUJFWSA-N 1 1 278.421 2.678 50 0 CFAAMO Cc1ccc(-c2nc(C[NH2+]CCn3cccn3)cs2)o1 ZINC000072267773 393650504 /nfs/dbraw/zinc/65/05/04/393650504.db2.gz SHAROIKLOXZABJ-UHFFFAOYSA-N 1 1 288.376 2.698 50 0 CFAAMO CCC[C@@]1(COC)CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000194937541 393724337 /nfs/dbraw/zinc/72/43/37/393724337.db2.gz YLOFCJPXQFIVPT-HNNXBMFYSA-N 1 1 279.384 2.728 50 0 CFAAMO CC(C)c1ccc([C@H](C)[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000096501972 393835290 /nfs/dbraw/zinc/83/52/90/393835290.db2.gz NWSNLKFCOBAPNK-AWEZNQCLSA-N 1 1 289.423 2.957 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000239672510 393798058 /nfs/dbraw/zinc/79/80/58/393798058.db2.gz BTNIYVUXEIFSGC-XUWVNRHRSA-N 1 1 295.471 2.985 50 0 CFAAMO CC(C)[C@H]1CCCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000093444166 393799399 /nfs/dbraw/zinc/79/93/99/393799399.db2.gz JFTSNYJVJZHMNO-CYBMUJFWSA-N 1 1 266.410 2.858 50 0 CFAAMO CC(C)c1nnsc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000095376957 393811563 /nfs/dbraw/zinc/81/15/63/393811563.db2.gz ZYYJOUPXMNLLNP-AWEZNQCLSA-N 1 1 281.425 2.664 50 0 CFAAMO OCCCC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000096421785 393828434 /nfs/dbraw/zinc/82/84/34/393828434.db2.gz HEIOFGUURCWJAR-UHFFFAOYSA-N 1 1 297.782 2.806 50 0 CFAAMO CCC[N@@H+](C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000115538136 393904677 /nfs/dbraw/zinc/90/46/77/393904677.db2.gz WMVQAGGYLJQQBY-CQSZACIVSA-N 1 1 264.344 2.663 50 0 CFAAMO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2nccs2)c(C)o1 ZINC000097112021 393840689 /nfs/dbraw/zinc/84/06/89/393840689.db2.gz LGRPZZVKZJQXJH-SECBINFHSA-N 1 1 279.365 2.642 50 0 CFAAMO C[C@H]1CCC[C@H]1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102914676 393853027 /nfs/dbraw/zinc/85/30/27/393853027.db2.gz YNHPVKYUSWWEAF-XFIYOXNOSA-N 1 1 269.429 2.530 50 0 CFAAMO CCC1=NO[C@@H](C[NH+]2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000252497063 393936221 /nfs/dbraw/zinc/93/62/21/393936221.db2.gz PYCNLRQZZAVYBQ-CYBMUJFWSA-N 1 1 284.363 2.517 50 0 CFAAMO C(C[N@@H+]1CCOC[C@@]12CCOC2)SC1CCCCC1 ZINC000253398243 393941590 /nfs/dbraw/zinc/94/15/90/393941590.db2.gz BSNZVJQAJRFWPN-HNNXBMFYSA-N 1 1 285.453 2.544 50 0 CFAAMO C(C[N@H+]1CCOC[C@@]12CCOC2)SC1CCCCC1 ZINC000253398243 393941597 /nfs/dbraw/zinc/94/15/97/393941597.db2.gz BSNZVJQAJRFWPN-HNNXBMFYSA-N 1 1 285.453 2.544 50 0 CFAAMO CCOC1CC2(C1)CC[N@@H+](CCc1ccncc1)C2 ZINC000285504913 394144218 /nfs/dbraw/zinc/14/42/18/394144218.db2.gz NMOJVZOTVVWIIB-UHFFFAOYSA-N 1 1 260.381 2.515 50 0 CFAAMO Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000036394369 134819917 /nfs/dbraw/zinc/81/99/17/134819917.db2.gz UJEIJCKTXAQCAR-OAHLLOKOSA-N 1 1 287.338 2.810 50 0 CFAAMO c1ccc(CC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc1 ZINC000170052747 394371307 /nfs/dbraw/zinc/37/13/07/394371307.db2.gz SDVBMTWDSIFQKD-IBGZPJMESA-N 1 1 294.398 2.798 50 0 CFAAMO CCc1[nH+]c(N2CCC[C@](CC)(CO)C2)ccc1C ZINC000091876675 135073803 /nfs/dbraw/zinc/07/38/03/135073803.db2.gz GKFJNIGOUZIDCZ-INIZCTEOSA-N 1 1 262.397 2.941 50 0 CFAAMO O=C1C[C@H](CNc2[nH+]ccc3ccccc32)CN1C1CC1 ZINC000527951952 394431019 /nfs/dbraw/zinc/43/10/19/394431019.db2.gz HCJFZBBPAIKJLX-GFCCVEGCSA-N 1 1 281.359 2.658 50 0 CFAAMO CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2nncn2CC1 ZINC000011870996 397538461 /nfs/dbraw/zinc/53/84/61/397538461.db2.gz KLIMHZJCOYNFPG-CQSZACIVSA-N 1 1 262.401 2.519 50 0 CFAAMO C[C@H](C1CC1)[N@H+](Cc1nnnn1C1CC1)Cc1ccccc1 ZINC000047828574 397588169 /nfs/dbraw/zinc/58/81/69/397588169.db2.gz GIYXKXBVKDKOMH-CYBMUJFWSA-N 1 1 297.406 2.809 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](Cc1nnnn1C1CC1)Cc1ccccc1 ZINC000047828574 397588171 /nfs/dbraw/zinc/58/81/71/397588171.db2.gz GIYXKXBVKDKOMH-CYBMUJFWSA-N 1 1 297.406 2.809 50 0 CFAAMO CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC)C[C@@H]2C)C1 ZINC000108324462 397598063 /nfs/dbraw/zinc/59/80/63/397598063.db2.gz PCPAWUNGKCLTJV-BYNSBNAKSA-N 1 1 270.486 2.981 50 0 CFAAMO Cc1cc(C)n(CCC[N@H+](C)Cc2cccc3nonc32)n1 ZINC000215113067 397619189 /nfs/dbraw/zinc/61/91/89/397619189.db2.gz ZCCFVGGQOWYMFK-UHFFFAOYSA-N 1 1 299.378 2.558 50 0 CFAAMO CCOCCC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000229694943 286059915 /nfs/dbraw/zinc/05/99/15/286059915.db2.gz KHKHBMOJXSMUPN-GJZGRUSLSA-N 1 1 298.471 2.676 50 0 CFAAMO Cc1ccc2nc(C[N@H+]([C@H](C)C3CC3)C3CC3)cc(=O)n2c1 ZINC000031654327 292389913 /nfs/dbraw/zinc/38/99/13/292389913.db2.gz MSUHECUYRBXXHQ-CYBMUJFWSA-N 1 1 297.402 2.766 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000004744654 170010641 /nfs/dbraw/zinc/01/06/41/170010641.db2.gz YXPRWBPEDVSELI-GFCCVEGCSA-N 1 1 264.344 2.886 50 0 CFAAMO C[C@@H]1CC[C@H](COC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000004898713 170038157 /nfs/dbraw/zinc/03/81/57/170038157.db2.gz TUWFNZHZUSMXEP-MGPQQGTHSA-N 1 1 253.386 2.698 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000004977959 170048033 /nfs/dbraw/zinc/04/80/33/170048033.db2.gz HOPDZGGGOSHAEP-HNNXBMFYSA-N 1 1 261.365 2.913 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC000004977959 170048035 /nfs/dbraw/zinc/04/80/35/170048035.db2.gz HOPDZGGGOSHAEP-HNNXBMFYSA-N 1 1 261.365 2.913 50 0 CFAAMO Cc1cccc2cc(C[NH2+]Cc3ccco3)c(=O)[nH]c12 ZINC000004993222 170051143 /nfs/dbraw/zinc/05/11/43/170051143.db2.gz GMJGHJAIHHKBOW-UHFFFAOYSA-N 1 1 268.316 2.719 50 0 CFAAMO CCOc1ccccc1NC(=O)C[NH+]1CCCCC1 ZINC000006699312 170228226 /nfs/dbraw/zinc/22/82/26/170228226.db2.gz RUNOSNWBOIFQKN-UHFFFAOYSA-N 1 1 262.353 2.510 50 0 CFAAMO C[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006699689 170228484 /nfs/dbraw/zinc/22/84/84/170228484.db2.gz YZBLIULHHWRASU-UHFFFAOYSA-N 1 1 288.178 2.773 50 0 CFAAMO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCCC1 ZINC000006701243 170229304 /nfs/dbraw/zinc/22/93/04/170229304.db2.gz OODLAXLYWFKADU-UHFFFAOYSA-N 1 1 252.745 2.683 50 0 CFAAMO CCCSc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000006701467 170229597 /nfs/dbraw/zinc/22/95/97/170229597.db2.gz LYCVEOAXTSLQBL-UHFFFAOYSA-N 1 1 278.421 2.576 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000006703846 170230597 /nfs/dbraw/zinc/23/05/97/170230597.db2.gz KQDZOGXZCXAFJI-OAHLLOKOSA-N 1 1 291.391 2.731 50 0 CFAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007444969 170285541 /nfs/dbraw/zinc/28/55/41/170285541.db2.gz VQIIURZTILVKCQ-GDBMZVCRSA-N 1 1 274.408 2.813 50 0 CFAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007444969 170285544 /nfs/dbraw/zinc/28/55/44/170285544.db2.gz VQIIURZTILVKCQ-GDBMZVCRSA-N 1 1 274.408 2.813 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3ccccc3)nc12 ZINC000010030520 170396424 /nfs/dbraw/zinc/39/64/24/170396424.db2.gz SUJUCZOPMYOIFF-UHFFFAOYSA-N 1 1 293.370 2.635 50 0 CFAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000010109466 170397797 /nfs/dbraw/zinc/39/77/97/170397797.db2.gz CVOSUNYEUOHGKA-UHFFFAOYSA-N 1 1 293.370 2.717 50 0 CFAAMO CCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020457742 171208743 /nfs/dbraw/zinc/20/87/43/171208743.db2.gz MVFSSBZNXRLHGM-CYBMUJFWSA-N 1 1 260.381 2.668 50 0 CFAAMO CCN1CC[NH+](Cc2csc3c2CCCC3)CC1 ZINC000020514328 171231746 /nfs/dbraw/zinc/23/17/46/171231746.db2.gz OSLZDXYCRDIBLZ-UHFFFAOYSA-N 1 1 264.438 2.764 50 0 CFAAMO C[C@H]1C[NH+](CCOc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000020653444 171269240 /nfs/dbraw/zinc/26/92/40/171269240.db2.gz GMACMQQFZYBZSG-KBPBESRZSA-N 1 1 275.392 2.663 50 0 CFAAMO CCCOc1ccccc1OCCC[NH+]1CCOCC1 ZINC000020653510 171269527 /nfs/dbraw/zinc/26/95/27/171269527.db2.gz VHKLLVUODQBPOW-UHFFFAOYSA-N 1 1 279.380 2.577 50 0 CFAAMO C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@@H]1CCCO1 ZINC000020915340 171280166 /nfs/dbraw/zinc/28/01/66/171280166.db2.gz WPLWMFFKZBPJOW-HNNXBMFYSA-N 1 1 271.364 2.688 50 0 CFAAMO C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@@H]1CCCO1 ZINC000020915340 171280167 /nfs/dbraw/zinc/28/01/67/171280167.db2.gz WPLWMFFKZBPJOW-HNNXBMFYSA-N 1 1 271.364 2.688 50 0 CFAAMO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@@H]1CCCO1 ZINC000020915340 171280168 /nfs/dbraw/zinc/28/01/68/171280168.db2.gz WPLWMFFKZBPJOW-HNNXBMFYSA-N 1 1 271.364 2.688 50 0 CFAAMO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@@H]1CCCO1 ZINC000020915340 171280169 /nfs/dbraw/zinc/28/01/69/171280169.db2.gz WPLWMFFKZBPJOW-HNNXBMFYSA-N 1 1 271.364 2.688 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000020941402 171281809 /nfs/dbraw/zinc/28/18/09/171281809.db2.gz FXYCUEQJLXNJLV-ZDUSSCGKSA-N 1 1 292.766 2.952 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000020941402 171281810 /nfs/dbraw/zinc/28/18/10/171281810.db2.gz FXYCUEQJLXNJLV-ZDUSSCGKSA-N 1 1 292.766 2.952 50 0 CFAAMO COc1cccc(C[C@@H]2C[N@@H+](CCCSC)CCO2)c1 ZINC000020997427 171284334 /nfs/dbraw/zinc/28/43/34/171284334.db2.gz BWLJRYJURHRPLJ-MRXNPFEDSA-N 1 1 295.448 2.692 50 0 CFAAMO C[NH+](C)CCNCc1ccccc1OCc1ccccc1 ZINC000022075006 171351882 /nfs/dbraw/zinc/35/18/82/171351882.db2.gz VCLYULLKXZMVCW-UHFFFAOYSA-N 1 1 284.403 2.917 50 0 CFAAMO C[C@@H](NC(=O)CC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000022198964 171372002 /nfs/dbraw/zinc/37/20/02/171372002.db2.gz PDAYHIHZZQGBMR-CQSZACIVSA-N 1 1 286.375 2.979 50 0 CFAAMO CCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000022454266 171388401 /nfs/dbraw/zinc/38/84/01/171388401.db2.gz TYUHWYRAPCQNEW-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COC2CCCCC2)C1 ZINC000035360290 172151780 /nfs/dbraw/zinc/15/17/80/172151780.db2.gz KDIJQKVDTOMHMR-ZNMIVQPWSA-N 1 1 269.429 2.675 50 0 CFAAMO CC[C@H](C)[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000035532315 172243824 /nfs/dbraw/zinc/24/38/24/172243824.db2.gz JASTXYIDBLQRNL-UFBFGSQYSA-N 1 1 275.308 2.511 50 0 CFAAMO N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037246951 173060199 /nfs/dbraw/zinc/06/01/99/173060199.db2.gz WXBOUFZFJFRVCW-DLBZAZTESA-N 1 1 252.361 2.613 50 0 CFAAMO N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037246951 173060200 /nfs/dbraw/zinc/06/02/00/173060200.db2.gz WXBOUFZFJFRVCW-DLBZAZTESA-N 1 1 252.361 2.613 50 0 CFAAMO c1ccc(C[C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000038478225 174142034 /nfs/dbraw/zinc/14/20/34/174142034.db2.gz AJNDRRBUHVZNKU-SFHVURJKSA-N 1 1 266.388 2.703 50 0 CFAAMO c1ccc(C[C@H]2C[N@@H+](Cc3ccccc3)CCN2)cc1 ZINC000038478225 174142037 /nfs/dbraw/zinc/14/20/37/174142037.db2.gz AJNDRRBUHVZNKU-SFHVURJKSA-N 1 1 266.388 2.703 50 0 CFAAMO Fc1cccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000040153607 174195004 /nfs/dbraw/zinc/19/50/04/174195004.db2.gz BLOYDQPNXRMDOQ-JKSUJKDBSA-N 1 1 279.355 2.848 50 0 CFAAMO NC(=O)[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000040481458 174285334 /nfs/dbraw/zinc/28/53/34/174285334.db2.gz NRPJPMNBBGEDPK-AWEZNQCLSA-N 1 1 274.751 2.656 50 0 CFAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC=CCC3)sc2C1 ZINC000040489353 174290933 /nfs/dbraw/zinc/29/09/33/174290933.db2.gz XJWIADMEPHPJBQ-LLVKDONJSA-N 1 1 291.420 2.816 50 0 CFAAMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CC=CCC3)sc2C1 ZINC000040489353 174290934 /nfs/dbraw/zinc/29/09/34/174290934.db2.gz XJWIADMEPHPJBQ-LLVKDONJSA-N 1 1 291.420 2.816 50 0 CFAAMO C[C@H]1CCC[C@](C[NH2+]Cc2ccncc2)(N(C)C)C1 ZINC000040668183 174367480 /nfs/dbraw/zinc/36/74/80/174367480.db2.gz RZICBPDAFBPELA-HOCLYGCPSA-N 1 1 261.413 2.682 50 0 CFAAMO OCC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000043677519 175088369 /nfs/dbraw/zinc/08/83/69/175088369.db2.gz BXPXSWYOOBGGCO-UHFFFAOYSA-N 1 1 290.226 2.715 50 0 CFAAMO Cc1cc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)on1 ZINC000044890656 175272773 /nfs/dbraw/zinc/27/27/73/175272773.db2.gz AVGWDQQSWKDKOA-UHFFFAOYSA-N 1 1 285.391 2.609 50 0 CFAAMO COc1c(C)c[nH+]c(Cn2c(CO)nc3ccccc32)c1C ZINC000044944386 175282723 /nfs/dbraw/zinc/28/27/23/175282723.db2.gz AWBLYVGPGSNVQU-UHFFFAOYSA-N 1 1 297.358 2.597 50 0 CFAAMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccnc1 ZINC000065552862 175750084 /nfs/dbraw/zinc/75/00/84/175750084.db2.gz QVPIHOSIKRWBLH-OAHLLOKOSA-N 1 1 290.411 2.858 50 0 CFAAMO COc1c(C)c[nH+]c(CN(C)Cc2c(C)noc2C)c1C ZINC000067226920 175771347 /nfs/dbraw/zinc/77/13/47/175771347.db2.gz LTMGIHKYVZOZCY-UHFFFAOYSA-N 1 1 289.379 2.944 50 0 CFAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1c1cccn1C)C(C)C ZINC000067445131 175775057 /nfs/dbraw/zinc/77/50/57/175775057.db2.gz ZJVUTVWSSJYASR-MRXNPFEDSA-N 1 1 291.439 2.807 50 0 CFAAMO CC[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000067689308 175783959 /nfs/dbraw/zinc/78/39/59/175783959.db2.gz YGFVJXQCIGJDNJ-MRXNPFEDSA-N 1 1 272.392 2.558 50 0 CFAAMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000071376014 176140990 /nfs/dbraw/zinc/14/09/90/176140990.db2.gz ADQVPTVCHMSGJQ-CABCVRRESA-N 1 1 274.408 2.822 50 0 CFAAMO Cc1ccc(N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)nn1 ZINC000071551672 176196563 /nfs/dbraw/zinc/19/65/63/176196563.db2.gz FLLHJUNGTRFGRA-INIZCTEOSA-N 1 1 288.439 2.732 50 0 CFAAMO CCCc1nnc2sc([C@@H]3CCC[N@H+](C(C)C)C3)nn12 ZINC000071681677 176245496 /nfs/dbraw/zinc/24/54/96/176245496.db2.gz KFHXHBJHRPBFOK-LLVKDONJSA-N 1 1 293.440 2.726 50 0 CFAAMO CC[N@H+]1CCC[C@H](c2nccn2CC2(O)CCCCC2)C1 ZINC000071721499 176252980 /nfs/dbraw/zinc/25/29/80/176252980.db2.gz DNUVCUFDDFITBF-HNNXBMFYSA-N 1 1 291.439 2.778 50 0 CFAAMO Cc1[nH]c2ccc(CNc3cc(N)[nH+]cn3)cc2c1C ZINC000071764859 176261690 /nfs/dbraw/zinc/26/16/90/176261690.db2.gz KMBOTPZGYKHPTL-UHFFFAOYSA-N 1 1 267.336 2.769 50 0 CFAAMO Cc1[nH]c2ccc(CNc3cc(N)nc[nH+]3)cc2c1C ZINC000071764859 176261692 /nfs/dbraw/zinc/26/16/92/176261692.db2.gz KMBOTPZGYKHPTL-UHFFFAOYSA-N 1 1 267.336 2.769 50 0 CFAAMO c1ncn(C[C@@H]2CCCC[N@@H+]2CCCc2ccccc2)n1 ZINC000071876298 176285997 /nfs/dbraw/zinc/28/59/97/176285997.db2.gz JEMSZOQXIWXDLA-KRWDZBQOSA-N 1 1 284.407 2.765 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000071876086 176286053 /nfs/dbraw/zinc/28/60/53/176286053.db2.gz RADVWJXBRVDMMO-INIZCTEOSA-N 1 1 270.380 2.560 50 0 CFAAMO c1ccc(N2CCC[N@H+](Cc3ccncc3)CC2)cc1 ZINC000072121890 176320218 /nfs/dbraw/zinc/32/02/18/176320218.db2.gz OEBFUDMPBQORDS-UHFFFAOYSA-N 1 1 267.376 2.794 50 0 CFAAMO O=C1NC[C@@]2(CCC[N@@H+](C/C=C/c3ccccc3)CC2)O1 ZINC000072156697 176328470 /nfs/dbraw/zinc/32/84/70/176328470.db2.gz QKSISHXWYAVMTL-AUNFYEFLSA-N 1 1 286.375 2.664 50 0 CFAAMO c1cncc(CO[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000072161166 176329953 /nfs/dbraw/zinc/32/99/53/176329953.db2.gz JXTHPTPDQBJBNJ-QGZVFWFLSA-N 1 1 283.375 2.658 50 0 CFAAMO Cc1oc(-c2ccsc2)nc1C[NH2+]CCn1cccn1 ZINC000072267767 176352890 /nfs/dbraw/zinc/35/28/90/176352890.db2.gz MWFDCUQSMRSCFR-UHFFFAOYSA-N 1 1 288.376 2.698 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312054 176367297 /nfs/dbraw/zinc/36/72/97/176367297.db2.gz BTTIJSGYPDLENX-CQSZACIVSA-N 1 1 270.380 2.889 50 0 CFAAMO CCCc1noc(C[N@H+]2CCC[C@]2(CCC)COC)n1 ZINC000194934000 270248868 /nfs/dbraw/zinc/24/88/68/270248868.db2.gz JNKUMAOELYVNPW-OAHLLOKOSA-N 1 1 281.400 2.803 50 0 CFAAMO CCCN1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000253417254 276012980 /nfs/dbraw/zinc/01/29/80/276012980.db2.gz TVBJTTRHSTULDU-HNNXBMFYSA-N 1 1 274.408 2.580 50 0 CFAAMO CCN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000053150749 276089770 /nfs/dbraw/zinc/08/97/70/276089770.db2.gz PMHSHDNRBVQKAO-LLVKDONJSA-N 1 1 266.410 2.536 50 0 CFAAMO CCN(CC)C(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000053150749 276089771 /nfs/dbraw/zinc/08/97/71/276089771.db2.gz PMHSHDNRBVQKAO-LLVKDONJSA-N 1 1 266.410 2.536 50 0 CFAAMO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000191119401 276180604 /nfs/dbraw/zinc/18/06/04/276180604.db2.gz QFVUVBKRHQVZGU-OKZBNKHCSA-N 1 1 293.499 2.594 50 0 CFAAMO C[N@@H+]1CCN(C(=O)CCC2CC2)c2ccccc2C1 ZINC000089382887 277088927 /nfs/dbraw/zinc/08/89/27/277088927.db2.gz ORCCPNSWYASEPW-UHFFFAOYSA-N 1 1 258.365 2.655 50 0 CFAAMO C[N@H+]1CCN(C(=O)CCC2CC2)c2ccccc2C1 ZINC000089382887 277088928 /nfs/dbraw/zinc/08/89/28/277088928.db2.gz ORCCPNSWYASEPW-UHFFFAOYSA-N 1 1 258.365 2.655 50 0 CFAAMO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942263 278354809 /nfs/dbraw/zinc/35/48/09/278354809.db2.gz GNLNYDMSBAMWIL-HUUCEWRRSA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942263 278354810 /nfs/dbraw/zinc/35/48/10/278354810.db2.gz GNLNYDMSBAMWIL-HUUCEWRRSA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1N(C)C ZINC000093942263 278354811 /nfs/dbraw/zinc/35/48/11/278354811.db2.gz GNLNYDMSBAMWIL-HUUCEWRRSA-N 1 1 287.451 2.888 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cccc1 ZINC000334160309 279313010 /nfs/dbraw/zinc/31/30/10/279313010.db2.gz AWRZSCOGKGAYJC-CVEARBPZSA-N 1 1 291.439 2.676 50 0 CFAAMO CC[C@@H](C(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1 ZINC000069779532 280069534 /nfs/dbraw/zinc/06/95/34/280069534.db2.gz OSPMOSATSIHIDO-MRXNPFEDSA-N 1 1 274.408 2.734 50 0 CFAAMO C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000253424805 288271192 /nfs/dbraw/zinc/27/11/92/288271192.db2.gz HOFYJEDVKMCTEX-BXUZGUMPSA-N 1 1 282.771 2.509 50 0 CFAAMO Cc1ccccc1N1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000072161760 281346751 /nfs/dbraw/zinc/34/67/51/281346751.db2.gz UMTBBLMYQMIVBJ-INIZCTEOSA-N 1 1 274.408 2.544 50 0 CFAAMO Cc1nc(N[C@@H]2COc3ccccc32)c(C)c(C)[nH+]1 ZINC000091586698 281867993 /nfs/dbraw/zinc/86/79/93/281867993.db2.gz BUZDSCHEFKYXFM-CYBMUJFWSA-N 1 1 255.321 2.947 50 0 CFAAMO Cc1ccc(-c2cc(C[NH2+][C@H]3CCOC3)no2)cc1 ZINC000534576038 328309835 /nfs/dbraw/zinc/30/98/35/328309835.db2.gz UCBLNXBQFPHUPI-ZDUSSCGKSA-N 1 1 258.321 2.529 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000058152797 327010130 /nfs/dbraw/zinc/01/01/30/327010130.db2.gz YTBLDYVXVZINOE-UHFFFAOYSA-N 1 1 291.395 2.645 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480404 327039472 /nfs/dbraw/zinc/03/94/72/327039472.db2.gz JTIDKYKNHPDGIA-UHFFFAOYSA-N 1 1 266.772 2.508 50 0 CFAAMO CCCCCC[N@@H+](C)CC(=O)N[C@H](C)c1cccnc1 ZINC000069622259 327100318 /nfs/dbraw/zinc/10/03/18/327100318.db2.gz VXUNXHAYTCSGCZ-CQSZACIVSA-N 1 1 277.412 2.771 50 0 CFAAMO COC(=O)c1cc(C[NH2+]Cc2sc(C)nc2C)oc1C ZINC000096493655 533821500 /nfs/dbraw/zinc/82/15/00/533821500.db2.gz UDIKXWZAJDXAQE-UHFFFAOYSA-N 1 1 294.376 2.738 50 0 CFAAMO Cc1ccc(C[NH2+]Cc2cnn(C)c2)c(Br)c1 ZINC000096483924 534073956 /nfs/dbraw/zinc/07/39/56/534073956.db2.gz RFSQCPQIESIVOD-UHFFFAOYSA-N 1 1 294.196 2.781 50 0 CFAAMO COc1ccccc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000007786592 534168304 /nfs/dbraw/zinc/16/83/04/534168304.db2.gz LXNXOXYZQJXFBS-UHFFFAOYSA-N 1 1 276.380 2.898 50 0 CFAAMO CC(C)n1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)n1 ZINC000089937100 520003471 /nfs/dbraw/zinc/00/34/71/520003471.db2.gz KPZHWEXBNMOJTR-RYUDHWBXSA-N 1 1 253.415 2.790 50 0 CFAAMO C[NH+](C)CCNCc1ccc(-c2ccccc2F)o1 ZINC000019872350 521788365 /nfs/dbraw/zinc/78/83/65/521788365.db2.gz BMDQCCJNIOFSDO-UHFFFAOYSA-N 1 1 262.328 2.737 50 0 CFAAMO Cc1cc(C[N@@H+](C)CCCn2cccn2)ccc1F ZINC000214970767 524661856 /nfs/dbraw/zinc/66/18/56/524661856.db2.gz OFHLXPHQWMMKJU-UHFFFAOYSA-N 1 1 261.344 2.853 50 0 CFAAMO Cc1cc(CSCCCn2cc[nH+]c2C)on1 ZINC000095988308 524816500 /nfs/dbraw/zinc/81/65/00/524816500.db2.gz YELJZFHCKVRTIQ-UHFFFAOYSA-N 1 1 251.355 2.811 50 0 CFAAMO c1cn2c([nH+]1)C[C@@H](c1nc(-c3ccsc3)no1)CC2 ZINC000193150489 526538582 /nfs/dbraw/zinc/53/85/82/526538582.db2.gz FDTGWQHRLPKLAX-VIFPVBQESA-N 1 1 272.333 2.725 50 0 CFAAMO Brc1cc2c(cc1C[NH+]1CCCC1)OCO2 ZINC000177730953 526636906 /nfs/dbraw/zinc/63/69/06/526636906.db2.gz GTWRIXWOKUGWLW-UHFFFAOYSA-N 1 1 284.153 2.774 50 0 CFAAMO CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccn1 ZINC000225807738 527980575 /nfs/dbraw/zinc/98/05/75/527980575.db2.gz IXHZDLVPTWYMTB-GJZGRUSLSA-N 1 1 289.423 2.566 50 0 CFAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441710 529219770 /nfs/dbraw/zinc/21/97/70/529219770.db2.gz FRGPVYIMSYSRLH-VXGBXAGGSA-N 1 1 297.424 2.528 50 0 CFAAMO c1nc2ccc(C[NH2+]C3CSCCSC3)cc2[nH]1 ZINC000670452581 567181184 /nfs/dbraw/zinc/18/11/84/567181184.db2.gz LZHOZHUQMLZJDY-UHFFFAOYSA-N 1 1 279.434 2.501 50 0 CFAAMO CCCCc1nc(CNC[C@H]2CCCC[N@H+]2CC)c[nH]1 ZINC000952973775 614490970 /nfs/dbraw/zinc/49/09/70/614490970.db2.gz DOZDGAJISHAIIR-OAHLLOKOSA-N 1 1 278.444 2.716 50 0 CFAAMO CCCCc1ncc(C[NH2+]C[C@H]2CCCCN2CC)[nH]1 ZINC000952973775 614490973 /nfs/dbraw/zinc/49/09/73/614490973.db2.gz DOZDGAJISHAIIR-OAHLLOKOSA-N 1 1 278.444 2.716 50 0 CFAAMO CCn1nnc(C)c1C[N@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000952992732 615743095 /nfs/dbraw/zinc/74/30/95/615743095.db2.gz CABZJIHUNCCMPS-HNNXBMFYSA-N 1 1 299.422 2.771 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000952986840 615777438 /nfs/dbraw/zinc/77/74/38/615777438.db2.gz GGMLYYXWBUYPLF-HNNXBMFYSA-N 1 1 299.418 2.973 50 0 CFAAMO O=C(c1ccc(F)c(F)c1)N1CCC[N@H+](C2CCC2)CC1 ZINC000828152431 617995570 /nfs/dbraw/zinc/99/55/70/617995570.db2.gz CWNLGOUMBVECGV-UHFFFAOYSA-N 1 1 294.345 2.665 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1C ZINC000023114880 618117331 /nfs/dbraw/zinc/11/73/31/618117331.db2.gz ZYTIZXLDVRLEDJ-OAHLLOKOSA-N 1 1 263.381 2.741 50 0 CFAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2c(C)cccc2C)C1 ZINC000092028951 618179347 /nfs/dbraw/zinc/17/93/47/618179347.db2.gz IXQRBQRGJBLWDG-DLBZAZTESA-N 1 1 286.419 2.746 50 0 CFAAMO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccc2cccnc21 ZINC000187305439 618276128 /nfs/dbraw/zinc/27/61/28/618276128.db2.gz JJYCHRFRNYKCTI-SFHVURJKSA-N 1 1 297.402 2.725 50 0 CFAAMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc2cccnc21 ZINC000187305439 618276131 /nfs/dbraw/zinc/27/61/31/618276131.db2.gz JJYCHRFRNYKCTI-SFHVURJKSA-N 1 1 297.402 2.725 50 0 CFAAMO OCC1CCN([C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000023374320 618454258 /nfs/dbraw/zinc/45/42/58/618454258.db2.gz IEHJVCCTRSSOHP-SFHVURJKSA-N 1 1 294.483 2.735 50 0 CFAAMO CCCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@H]1C ZINC000261361496 619138108 /nfs/dbraw/zinc/13/81/08/619138108.db2.gz AUMQUVNLMMEFEG-XJKSGUPXSA-N 1 1 261.365 2.949 50 0 CFAAMO CCc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000154290649 624317222 /nfs/dbraw/zinc/31/72/22/624317222.db2.gz KXDCCURDLSDLEC-MRXNPFEDSA-N 1 1 274.408 2.740 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000155122225 624634969 /nfs/dbraw/zinc/63/49/69/624634969.db2.gz OOZUSHYHZBZTJU-AWEZNQCLSA-N 1 1 299.374 2.556 50 0 CFAAMO COc1cccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1F ZINC000192954992 650612229 /nfs/dbraw/zinc/61/22/29/650612229.db2.gz DHLPKDNSQKBKKX-GFCCVEGCSA-N 1 1 289.354 2.557 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1ccc(F)cc1 ZINC000098007735 651059759 /nfs/dbraw/zinc/05/97/59/651059759.db2.gz LYJJHBBDTQTUJO-YHAOYDPOSA-N 1 1 290.382 2.830 50 0 CFAAMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000887268677 647255620 /nfs/dbraw/zinc/25/56/20/647255620.db2.gz RJMTUFHKGKGAFG-YLFCFFPRSA-N 1 1 290.451 2.898 50 0 CFAAMO c1cnn(CC[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019146980 651287872 /nfs/dbraw/zinc/28/78/72/651287872.db2.gz JVZYUCVVIYVKLF-CQSZACIVSA-N 1 1 295.390 2.639 50 0 CFAAMO C[N@@H+](CCc1ccc(F)c(F)c1)CCN1CCCCC1 ZINC000019781636 651293769 /nfs/dbraw/zinc/29/37/69/651293769.db2.gz RENGQJNJRLDOLC-UHFFFAOYSA-N 1 1 282.378 2.925 50 0 CFAAMO C[N@H+](CCc1ccc(F)c(F)c1)CCN1CCCCC1 ZINC000019781636 651293771 /nfs/dbraw/zinc/29/37/71/651293771.db2.gz RENGQJNJRLDOLC-UHFFFAOYSA-N 1 1 282.378 2.925 50 0 CFAAMO CO[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000020560602 651299156 /nfs/dbraw/zinc/29/91/56/651299156.db2.gz YZFACSBAEWCVEX-AWEZNQCLSA-N 1 1 262.328 2.918 50 0 CFAAMO COc1ccc2c(C)cc(N3CCC[C@@H](CO)C3)[nH+]c2c1 ZINC000023634039 775531436 /nfs/dbraw/zinc/53/14/36/775531436.db2.gz BHXDMIJFJZBMHC-CYBMUJFWSA-N 1 1 286.375 2.761 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)C2CC=CC2)n1C1CCC1 ZINC000581815482 775898579 /nfs/dbraw/zinc/89/85/79/775898579.db2.gz KNSWSFXBXGMUIS-UHFFFAOYSA-N 1 1 273.380 2.541 50 0 CFAAMO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3O)c2ccccc21 ZINC000675010741 775982415 /nfs/dbraw/zinc/98/24/15/775982415.db2.gz JBOBAWBFBRRJKQ-RPVQJOFSSA-N 1 1 284.403 2.771 50 0 CFAAMO Cc1nc(CO[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)no1 ZINC000675016135 775983451 /nfs/dbraw/zinc/98/34/51/775983451.db2.gz GUHHWAVMRVGHAA-OAHLLOKOSA-N 1 1 293.411 2.939 50 0 CFAAMO CC/C=C\CCC[N@H+]1CCC[C@](CC)(C(N)=O)C1 ZINC000822293511 780887353 /nfs/dbraw/zinc/88/73/53/780887353.db2.gz CNKMNIKLBQQDTL-YVACAVLKSA-N 1 1 252.402 2.710 50 0 CFAAMO CC(C)N1CCC[N@@H+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000821751136 781886146 /nfs/dbraw/zinc/88/61/46/781886146.db2.gz HXVGXMLUKTZDDS-OAHLLOKOSA-N 1 1 268.445 2.608 50 0 CFAAMO CC[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC ZINC000822555780 781904083 /nfs/dbraw/zinc/90/40/83/781904083.db2.gz LAVUEWBQYNZUSW-ZDUSSCGKSA-N 1 1 268.788 2.687 50 0 CFAAMO CCc1nnc(C[NH2+][C@H](CC)c2ccc(C)cc2)n1C ZINC000096490760 230382666 /nfs/dbraw/zinc/38/26/66/230382666.db2.gz GDOLHDWHIWWLTB-CQSZACIVSA-N 1 1 272.396 2.927 50 0 CFAAMO c1cc(-n2nc(C3CCOCC3)nc2CC2CCC2)cc[nH+]1 ZINC000097805525 230387351 /nfs/dbraw/zinc/38/73/51/230387351.db2.gz RTMDUDRGMTZKCL-UHFFFAOYSA-N 1 1 298.390 2.899 50 0 CFAAMO Cc1ccc(F)c(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000095517277 185002811 /nfs/dbraw/zinc/00/28/11/185002811.db2.gz IQCYYHOGOYYIQD-INIZCTEOSA-N 1 1 291.370 2.694 50 0 CFAAMO CC(C)CCC[N@H+]1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000095517935 185003041 /nfs/dbraw/zinc/00/30/41/185003041.db2.gz DQGPHJQYJAUJOV-GOSISDBHSA-N 1 1 290.451 2.601 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N(Cc1ccsc1)C1CC1 ZINC000095954907 185042107 /nfs/dbraw/zinc/04/21/07/185042107.db2.gz INLBXTJCUGJNGJ-LBPRGKRZSA-N 1 1 292.448 2.969 50 0 CFAAMO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)[C@H]1COc2ccccc21 ZINC000096014151 185066714 /nfs/dbraw/zinc/06/67/14/185066714.db2.gz FBCCLVBEZZINRW-GXFFZTMASA-N 1 1 285.347 2.601 50 0 CFAAMO COC(=O)Nc1ccc(-c2ccc(C)[nH+]c2N)cc1 ZINC000096132095 185104718 /nfs/dbraw/zinc/10/47/18/185104718.db2.gz STLYQXLASQBOHG-UHFFFAOYSA-N 1 1 257.293 2.818 50 0 CFAAMO CC[N@H+]1CC[C@H](c2nc(-c3ccncc3)nn2C(C)C)C1 ZINC000096148107 185106840 /nfs/dbraw/zinc/10/68/40/185106840.db2.gz NARJJSDQFKDVJU-AWEZNQCLSA-N 1 1 285.395 2.730 50 0 CFAAMO COC(=O)c1ccc(C[NH2+]Cc2nc(C)sc2C)cc1 ZINC000097035064 185157247 /nfs/dbraw/zinc/15/72/47/185157247.db2.gz QJHCDPJGLGQDCS-UHFFFAOYSA-N 1 1 290.388 2.836 50 0 CFAAMO COc1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1SC ZINC000068806583 346871130 /nfs/dbraw/zinc/87/11/30/346871130.db2.gz KFGBLAMQSKLDNG-CYBMUJFWSA-N 1 1 281.421 2.764 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2CC)o1 ZINC000069624052 346897429 /nfs/dbraw/zinc/89/74/29/346897429.db2.gz CIVVQHRXKYUSAJ-GJZGRUSLSA-N 1 1 290.407 2.931 50 0 CFAAMO CCOCC[N@H+]1CCN(c2cccc(OC)c2)C(C)(C)C1 ZINC000823331707 781924309 /nfs/dbraw/zinc/92/43/09/781924309.db2.gz NCDUQRDMOBQAGZ-UHFFFAOYSA-N 1 1 292.423 2.632 50 0 CFAAMO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000075128173 347057650 /nfs/dbraw/zinc/05/76/50/347057650.db2.gz FKMNKGLAXVPNMQ-PMPSAXMXSA-N 1 1 295.471 2.794 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000025313360 539433390 /nfs/dbraw/zinc/43/33/90/539433390.db2.gz BWBNAHOSDQEWRC-MLGOLLRUSA-N 1 1 274.339 2.737 50 0 CFAAMO Cc1n[nH]c(C)c1CNCc1ccccc1C[NH+]1CCCC1 ZINC000097159201 185549938 /nfs/dbraw/zinc/54/99/38/185549938.db2.gz HMYUQBYONDCFPT-UHFFFAOYSA-N 1 1 298.434 2.912 50 0 CFAAMO CNC1=[NH+][C@H](C(C)(C)C)[C@H](c2ccc(OC)cc2)O1 ZINC000004760178 346209682 /nfs/dbraw/zinc/20/96/82/346209682.db2.gz YJJAYNYGENVPLO-STQMWFEESA-N 1 1 262.353 2.757 50 0 CFAAMO CC(C)c1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000012383081 346230947 /nfs/dbraw/zinc/23/09/47/346230947.db2.gz BNZIWZMGDAAFLO-UHFFFAOYSA-N 1 1 263.381 2.911 50 0 CFAAMO O=C(C1=CC[N@@H+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000064541799 346722513 /nfs/dbraw/zinc/72/25/13/346722513.db2.gz KEUMCFKSRRDFOG-UHFFFAOYSA-N 1 1 284.403 2.831 50 0 CFAAMO C[C@H](CN(C)c1cc[nH+]c(N(C)C)n1)c1ccccc1 ZINC000077216308 347176348 /nfs/dbraw/zinc/17/63/48/347176348.db2.gz AAXDRHZRVSMEOE-CYBMUJFWSA-N 1 1 270.380 2.783 50 0 CFAAMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000091692690 347595737 /nfs/dbraw/zinc/59/57/37/347595737.db2.gz QOHOSDXPUXGUNY-ZDUSSCGKSA-N 1 1 283.318 2.707 50 0 CFAAMO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000097373005 347708396 /nfs/dbraw/zinc/70/83/96/347708396.db2.gz FRRPKHYAGQYJEL-OCCSQVGLSA-N 1 1 262.401 2.810 50 0 CFAAMO OCCC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372116 347708807 /nfs/dbraw/zinc/70/88/07/347708807.db2.gz RXJMAFCUESBDGA-GFCCVEGCSA-N 1 1 273.298 2.877 50 0 CFAAMO c1oc2ccccc2c1C[N@H+]1CCCC2(C1)OCCO2 ZINC000097377000 347709374 /nfs/dbraw/zinc/70/93/74/347709374.db2.gz YDKCOJXSAFPWOG-UHFFFAOYSA-N 1 1 273.332 2.772 50 0 CFAAMO Cc1ccc(C)c([C@@H](O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000110696394 347749002 /nfs/dbraw/zinc/74/90/02/347749002.db2.gz KUQNDSSCFWRYIV-ZFWWWQNUSA-N 1 1 265.422 2.774 50 0 CFAAMO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2nncn2C)C1 ZINC000132215370 347883482 /nfs/dbraw/zinc/88/34/82/347883482.db2.gz QTJHQXPAKBJQDZ-RDJZCZTQSA-N 1 1 298.434 2.873 50 0 CFAAMO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2nncn2C)C1 ZINC000132215547 347883534 /nfs/dbraw/zinc/88/35/34/347883534.db2.gz QTJHQXPAKBJQDZ-WBVHZDCISA-N 1 1 298.434 2.873 50 0 CFAAMO CN(Cc1cccc(O)c1Cl)C[C@@H]1CCCC[N@H+]1C ZINC000584892659 348728983 /nfs/dbraw/zinc/72/89/83/348728983.db2.gz CCIGHWBEQQHBEX-ZDUSSCGKSA-N 1 1 282.815 2.962 50 0 CFAAMO CN(Cc1cccc(O)c1Cl)C[C@H]1CCCC[N@H+]1C ZINC000584892658 348729387 /nfs/dbraw/zinc/72/93/87/348729387.db2.gz CCIGHWBEQQHBEX-CYBMUJFWSA-N 1 1 282.815 2.962 50 0 CFAAMO Clc1ccc2nc(CCC[NH2+][C@H]3CCOC3)[nH]c2c1 ZINC000584900025 348732269 /nfs/dbraw/zinc/73/22/69/348732269.db2.gz TZQAJULVJLHGPA-NSHDSACASA-N 1 1 279.771 2.527 50 0 CFAAMO Cc1nc2ccc(C[NH2+]C3CSCCSC3)cc2[nH]1 ZINC000584902624 348733178 /nfs/dbraw/zinc/73/31/78/348733178.db2.gz QSJWDVXRTZDGRP-UHFFFAOYSA-N 1 1 293.461 2.810 50 0 CFAAMO C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccn(C)n1 ZINC000414059652 233155926 /nfs/dbraw/zinc/15/59/26/233155926.db2.gz WWEJDVMKUUWDTK-UKRRQHHQSA-N 1 1 288.395 2.501 50 0 CFAAMO NC(=O)c1cccc(C[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000091468678 180164738 /nfs/dbraw/zinc/16/47/38/180164738.db2.gz JNNLFCVGPWPRNJ-AWEZNQCLSA-N 1 1 272.392 2.593 50 0 CFAAMO COc1cc[nH+]c(C[C@@H]2COc3ccccc3C2)c1 ZINC000091636781 180210776 /nfs/dbraw/zinc/21/07/76/180210776.db2.gz AUICZFGEWMQHSF-GFCCVEGCSA-N 1 1 255.317 2.884 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000091792921 180257627 /nfs/dbraw/zinc/25/76/27/180257627.db2.gz RIEBMFMXEAFHJF-NSHDSACASA-N 1 1 286.828 2.892 50 0 CFAAMO CC(C)c1ncc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)cn1 ZINC000091859325 180275699 /nfs/dbraw/zinc/27/56/99/180275699.db2.gz QBCJFRUMPSRRFC-INIZCTEOSA-N 1 1 277.412 2.583 50 0 CFAAMO Fc1ccc(/C=C/C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000091895734 180282103 /nfs/dbraw/zinc/28/21/03/180282103.db2.gz LNKHYSLOIVYXTE-OWOJBTEDSA-N 1 1 291.366 2.720 50 0 CFAAMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC)c(F)c2F)C1 ZINC000092107065 180326594 /nfs/dbraw/zinc/32/65/94/180326594.db2.gz ORAYTWVAAZCMRW-MRXNPFEDSA-N 1 1 299.361 2.958 50 0 CFAAMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OC)c(F)c2F)C1 ZINC000092107065 180326597 /nfs/dbraw/zinc/32/65/97/180326597.db2.gz ORAYTWVAAZCMRW-MRXNPFEDSA-N 1 1 299.361 2.958 50 0 CFAAMO C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)[C@@H](C)CO1 ZINC000105955014 186095024 /nfs/dbraw/zinc/09/50/24/186095024.db2.gz ZEXGNYPGIWZEGZ-QWHCGFSZSA-N 1 1 267.344 2.704 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccco1 ZINC000106620256 186129508 /nfs/dbraw/zinc/12/95/08/186129508.db2.gz DOENIXQLBWKQEH-CHWSQXEVSA-N 1 1 264.369 2.721 50 0 CFAAMO CCOCC[N@H+]1CCN([C@H](C)c2cccnc2)C[C@@H]1CC ZINC000106777354 186135767 /nfs/dbraw/zinc/13/57/67/186135767.db2.gz MSLCFPUXBGDRFS-WBVHZDCISA-N 1 1 291.439 2.575 50 0 CFAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000107145129 186160930 /nfs/dbraw/zinc/16/09/30/186160930.db2.gz OSWISLHGYOIZBU-KFWWJZLASA-N 1 1 265.422 2.936 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)[C@H]1CO ZINC000107532998 186177025 /nfs/dbraw/zinc/17/70/25/186177025.db2.gz SMJLIBIQRQRUES-LRDDRELGSA-N 1 1 288.366 2.967 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[N@H+](C3CCC3)CC2)cc1 ZINC000823510550 781929721 /nfs/dbraw/zinc/92/97/21/781929721.db2.gz QPRYNPOFQYTYQN-UHFFFAOYSA-N 1 1 286.419 2.949 50 0 CFAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)cc1 ZINC000155152475 188187122 /nfs/dbraw/zinc/18/71/22/188187122.db2.gz ARKKPMNQKIEQKW-HNNXBMFYSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)cc1 ZINC000155152475 188187123 /nfs/dbraw/zinc/18/71/23/188187123.db2.gz ARKKPMNQKIEQKW-HNNXBMFYSA-N 1 1 257.337 2.755 50 0 CFAAMO C[C@H]1CCCC[C@@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000097108474 290399108 /nfs/dbraw/zinc/39/91/08/290399108.db2.gz ZFILPGGGRGTZSI-WIJYIZELSA-N 1 1 257.443 2.656 50 0 CFAAMO CCN1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000685939688 540020487 /nfs/dbraw/zinc/02/04/87/540020487.db2.gz WFXWISMKVMFDQC-HZSPNIEDSA-N 1 1 268.445 2.795 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1CCc2ccccc21 ZINC000823557117 781933717 /nfs/dbraw/zinc/93/37/17/781933717.db2.gz CNNIUCMYPNLWAR-HNNXBMFYSA-N 1 1 283.375 2.639 50 0 CFAAMO Cc1ncc([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000090418942 540361727 /nfs/dbraw/zinc/36/17/27/540361727.db2.gz VZUBLZBIDGEAEG-SECBINFHSA-N 1 1 297.424 2.721 50 0 CFAAMO NC(=O)[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000071824492 283344002 /nfs/dbraw/zinc/34/40/02/283344002.db2.gz QDLVYZIFXWWINH-JKSUJKDBSA-N 1 1 284.334 2.629 50 0 CFAAMO Cc1cc(N(C)CCc2nc3ccccc3[nH]2)nc(C)[nH+]1 ZINC000585092463 540461779 /nfs/dbraw/zinc/46/17/79/540461779.db2.gz YEZNNBYPBJVDLH-UHFFFAOYSA-N 1 1 281.363 2.649 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC=O ZINC000084544179 540684136 /nfs/dbraw/zinc/68/41/36/540684136.db2.gz WRBQVBIMQCPUQR-UHFFFAOYSA-N 1 1 269.226 2.768 50 0 CFAAMO O=C(NC1CCN(c2cc[nH+]cc2Cl)CC1)C1CCC1 ZINC000095408592 540725059 /nfs/dbraw/zinc/72/50/59/540725059.db2.gz KTEBSHYSGTZXFJ-UHFFFAOYSA-N 1 1 293.798 2.620 50 0 CFAAMO Cc1cc[nH+]c(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178060879 189088613 /nfs/dbraw/zinc/08/86/13/189088613.db2.gz YGGXXUOICOCWSM-GFCCVEGCSA-N 1 1 262.353 2.558 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000179468766 189196320 /nfs/dbraw/zinc/19/63/20/189196320.db2.gz CGQMFUISWZMSLZ-INIZCTEOSA-N 1 1 270.380 2.732 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)CC[C@H]1CC1(F)F ZINC000670439325 540994372 /nfs/dbraw/zinc/99/43/72/540994372.db2.gz LNJVLJCHSBLYFU-LBPRGKRZSA-N 1 1 271.355 2.936 50 0 CFAAMO Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CCOC2)c(-n2cccn2)c1 ZINC000670437723 540994465 /nfs/dbraw/zinc/99/44/65/540994465.db2.gz QVBNGEQCQNMXLP-INIZCTEOSA-N 1 1 299.418 2.957 50 0 CFAAMO O=C1CCCN1C[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000670443124 540996810 /nfs/dbraw/zinc/99/68/10/540996810.db2.gz IJIKFRVAZURHBE-INIZCTEOSA-N 1 1 276.424 2.821 50 0 CFAAMO C[N@@H+](Cc1ccc(Cl)o1)CC1(CO)CCCC1 ZINC000670448459 540998042 /nfs/dbraw/zinc/99/80/42/540998042.db2.gz YWHKRLAYNUEPOQ-UHFFFAOYSA-N 1 1 257.761 2.918 50 0 CFAAMO CCC[C@]1(CO)CCC[N@@H+](CCCn2cccc2)C1 ZINC000670454388 541000618 /nfs/dbraw/zinc/00/06/18/541000618.db2.gz GRNQAJQJFDDPNQ-INIZCTEOSA-N 1 1 264.413 2.753 50 0 CFAAMO CCN1CCC([NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000670454881 541000779 /nfs/dbraw/zinc/00/07/79/541000779.db2.gz RYTOABJOVNZBKS-GOSISDBHSA-N 1 1 298.434 2.698 50 0 CFAAMO COCC1(CNC(=O)[C@@H](C)[N@@H+](C)C2CCCCC2)CCC1 ZINC000670456709 541001581 /nfs/dbraw/zinc/00/15/81/541001581.db2.gz HSSJQWRVROOEDR-CQSZACIVSA-N 1 1 296.455 2.572 50 0 CFAAMO Cc1nccc(N2CCC[N@H+](C3CCCCC3)CC2)n1 ZINC000670460985 541003039 /nfs/dbraw/zinc/00/30/39/541003039.db2.gz WNLVXSODAPGWCI-UHFFFAOYSA-N 1 1 274.412 2.630 50 0 CFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000000216271 371561439 /nfs/dbraw/zinc/56/14/39/371561439.db2.gz FVNDYMXSBAPSHU-INIZCTEOSA-N 1 1 268.360 2.537 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2)C1 ZINC000000237697 371564552 /nfs/dbraw/zinc/56/45/52/371564552.db2.gz MQGQVPXXDSPQIX-HNNXBMFYSA-N 1 1 291.391 2.860 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000000238231 371564999 /nfs/dbraw/zinc/56/49/99/371564999.db2.gz FYPCAMHWDVEOGV-HNNXBMFYSA-N 1 1 292.398 2.906 50 0 CFAAMO C[NH+]1CCC(NCc2cccc(Br)c2)CC1 ZINC000000757757 371649018 /nfs/dbraw/zinc/64/90/18/371649018.db2.gz RNFPTXMWZVOWLP-UHFFFAOYSA-N 1 1 283.213 2.633 50 0 CFAAMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000000757382 371649110 /nfs/dbraw/zinc/64/91/10/371649110.db2.gz CCUNGRJBQVKFMK-UHFFFAOYSA-N 1 1 259.324 2.820 50 0 CFAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1 ZINC000002237974 371720555 /nfs/dbraw/zinc/72/05/55/371720555.db2.gz YQMWBUZLZWMAEM-UHFFFAOYSA-N 1 1 284.363 2.674 50 0 CFAAMO CC(C)(C)c1cn2c3ccccc3[nH+]c2n1CCCO ZINC000002466337 371727341 /nfs/dbraw/zinc/72/73/41/371727341.db2.gz WSFKQUPNWGJVRQ-UHFFFAOYSA-N 1 1 271.364 2.969 50 0 CFAAMO CCCOc1ccc(C[NH2+]CCCN(C)C)cc1OCC ZINC000002647836 371745146 /nfs/dbraw/zinc/74/51/46/371745146.db2.gz KLXOXLOTLXAAQZ-UHFFFAOYSA-N 1 1 294.439 2.915 50 0 CFAAMO CC(C)[N@@H+](C)CCOC(=O)c1ccc(Cl)cc1 ZINC000002971404 371767122 /nfs/dbraw/zinc/76/71/22/371767122.db2.gz LXVAGLRESFCJNM-UHFFFAOYSA-N 1 1 255.745 2.837 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000003306041 371789262 /nfs/dbraw/zinc/78/92/62/371789262.db2.gz VCHFVQATOVGUED-GFCCVEGCSA-N 1 1 280.799 2.831 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000003684342 371815512 /nfs/dbraw/zinc/81/55/12/371815512.db2.gz FCQZTMQPGJIPPF-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000003684342 371815519 /nfs/dbraw/zinc/81/55/19/371815519.db2.gz FCQZTMQPGJIPPF-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1 ZINC000004525498 371862710 /nfs/dbraw/zinc/86/27/10/371862710.db2.gz QOPZYIMIMOWJIU-UHFFFAOYSA-N 1 1 264.369 2.756 50 0 CFAAMO CCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000006655469 371891321 /nfs/dbraw/zinc/89/13/21/371891321.db2.gz BZYJTNJQADRYCE-GDBMZVCRSA-N 1 1 272.392 2.929 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000012289073 371950856 /nfs/dbraw/zinc/95/08/56/371950856.db2.gz JRDUHCQHWWEBQK-OWCLPIDISA-N 1 1 277.408 2.998 50 0 CFAAMO Ic1cccc(C[NH+]2CCCC2)c1 ZINC000012370527 371955070 /nfs/dbraw/zinc/95/50/70/371955070.db2.gz MVFZIRZPTAFNGC-UHFFFAOYSA-N 1 1 287.144 2.887 50 0 CFAAMO COc1ccccc1/C=C/C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013125075 372016629 /nfs/dbraw/zinc/01/66/29/372016629.db2.gz WKQVWNKIOLJFHO-FZBZROKSSA-N 1 1 261.365 2.818 50 0 CFAAMO COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013125075 372016634 /nfs/dbraw/zinc/01/66/34/372016634.db2.gz WKQVWNKIOLJFHO-FZBZROKSSA-N 1 1 261.365 2.818 50 0 CFAAMO C[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000013021922 372013366 /nfs/dbraw/zinc/01/33/66/372013366.db2.gz XDKDLOUXNBAMFP-SNVBAGLBSA-N 1 1 291.782 2.808 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000013021922 372013371 /nfs/dbraw/zinc/01/33/71/372013371.db2.gz XDKDLOUXNBAMFP-SNVBAGLBSA-N 1 1 291.782 2.808 50 0 CFAAMO COc1ccc(C)cc1C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000016356054 372105383 /nfs/dbraw/zinc/10/53/83/372105383.db2.gz KFIDLBQMWKXPJO-ZDUSSCGKSA-N 1 1 292.423 2.739 50 0 CFAAMO COc1ccc(C)cc1C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000016356054 372105387 /nfs/dbraw/zinc/10/53/87/372105387.db2.gz KFIDLBQMWKXPJO-ZDUSSCGKSA-N 1 1 292.423 2.739 50 0 CFAAMO O[C@@H](COC1CCCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000016576904 372110307 /nfs/dbraw/zinc/11/03/07/372110307.db2.gz VIKHUBRGROKZIG-QGZVFWFLSA-N 1 1 289.419 2.755 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000016604575 372112780 /nfs/dbraw/zinc/11/27/80/372112780.db2.gz QJHUDEYGFGOGIJ-LBPRGKRZSA-N 1 1 292.448 2.651 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1O ZINC000016694809 372118287 /nfs/dbraw/zinc/11/82/87/372118287.db2.gz CHNNAOZJHQWWTE-CQSZACIVSA-N 1 1 298.386 2.760 50 0 CFAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)[NH+](C)C)o1 ZINC000015860088 372094522 /nfs/dbraw/zinc/09/45/22/372094522.db2.gz VFSVIURNZMRCDV-OAHLLOKOSA-N 1 1 286.375 2.929 50 0 CFAAMO NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000016156172 372100068 /nfs/dbraw/zinc/10/00/68/372100068.db2.gz OVXHCXQXXLLNRL-ZWKOTPCHSA-N 1 1 294.398 2.778 50 0 CFAAMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000016423208 372104704 /nfs/dbraw/zinc/10/47/04/372104704.db2.gz JQLUYHCPBFUGGR-CQSZACIVSA-N 1 1 292.423 2.609 50 0 CFAAMO CCCN1CCC([N@H+](C)CCC2CCOCC2)CC1 ZINC000019336382 372156542 /nfs/dbraw/zinc/15/65/42/372156542.db2.gz RNGDLNFMOFJHTA-UHFFFAOYSA-N 1 1 268.445 2.609 50 0 CFAAMO CCCN1CCC([N@@H+](C)CCC2CCOCC2)CC1 ZINC000019336382 372156545 /nfs/dbraw/zinc/15/65/45/372156545.db2.gz RNGDLNFMOFJHTA-UHFFFAOYSA-N 1 1 268.445 2.609 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000019733186 372182534 /nfs/dbraw/zinc/18/25/34/372182534.db2.gz ADHUQDYAHQDLPE-HNNXBMFYSA-N 1 1 299.374 2.576 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000019733186 372182540 /nfs/dbraw/zinc/18/25/40/372182540.db2.gz ADHUQDYAHQDLPE-HNNXBMFYSA-N 1 1 299.374 2.576 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000019733186 372182546 /nfs/dbraw/zinc/18/25/46/372182546.db2.gz ADHUQDYAHQDLPE-HNNXBMFYSA-N 1 1 299.374 2.576 50 0 CFAAMO Cc1ccccc1OCCCCCC[NH+]1CCNCC1 ZINC000019944990 372213669 /nfs/dbraw/zinc/21/36/69/372213669.db2.gz NCPOHSLANZXDNL-UHFFFAOYSA-N 1 1 276.424 2.839 50 0 CFAAMO COc1cc(C[NH2+]CCCN(C)C)ccc1OC(C)C ZINC000020091789 372228600 /nfs/dbraw/zinc/22/86/00/372228600.db2.gz LKIBYQKTYHAIFB-UHFFFAOYSA-N 1 1 280.412 2.524 50 0 CFAAMO C[NH+]1CCN(C[C@@H](O)c2ccc(C3CCCC3)cc2)CC1 ZINC000019802310 372189673 /nfs/dbraw/zinc/18/96/73/372189673.db2.gz ZHALKFDDTVRRCV-GOSISDBHSA-N 1 1 288.435 2.625 50 0 CFAAMO O=C(Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019831697 372191977 /nfs/dbraw/zinc/19/19/77/372191977.db2.gz RFJPGRQJVLXFBM-UHFFFAOYSA-N 1 1 294.398 2.574 50 0 CFAAMO C[N@H+](CCN)CC1c2ccccc2CCc2ccccc21 ZINC000022865421 372245757 /nfs/dbraw/zinc/24/57/57/372245757.db2.gz KCKNIWWYDMYGFH-UHFFFAOYSA-N 1 1 280.415 2.808 50 0 CFAAMO C[N@@H+](CCN)CC1c2ccccc2CCc2ccccc21 ZINC000022865421 372245765 /nfs/dbraw/zinc/24/57/65/372245765.db2.gz KCKNIWWYDMYGFH-UHFFFAOYSA-N 1 1 280.415 2.808 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(Cl)cc1 ZINC000022935939 372248778 /nfs/dbraw/zinc/24/87/78/372248778.db2.gz LHLIZBJUZOKQEE-CQSZACIVSA-N 1 1 252.789 2.914 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(Cl)cc1 ZINC000022935939 372248781 /nfs/dbraw/zinc/24/87/81/372248781.db2.gz LHLIZBJUZOKQEE-CQSZACIVSA-N 1 1 252.789 2.914 50 0 CFAAMO OCC[C@H]1CN(Cc2ccsc2)CC[N@H+]1C1CCCC1 ZINC000022932641 372248907 /nfs/dbraw/zinc/24/89/07/372248907.db2.gz ZMNBQQQTSQEENK-INIZCTEOSA-N 1 1 294.464 2.559 50 0 CFAAMO C[N@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000023280753 372255835 /nfs/dbraw/zinc/25/58/35/372255835.db2.gz DXICTWGMIKTOGT-INIZCTEOSA-N 1 1 259.324 2.991 50 0 CFAAMO c1ccc2sc(N3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000024660036 372279110 /nfs/dbraw/zinc/27/91/10/372279110.db2.gz QSJAICIFHCYTTG-NSHDSACASA-N 1 1 259.378 2.581 50 0 CFAAMO Cc1ccccc1C[N@@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000026161138 372314636 /nfs/dbraw/zinc/31/46/36/372314636.db2.gz KPXKVDCDEYREDA-MRXNPFEDSA-N 1 1 268.360 2.653 50 0 CFAAMO Cc1ccccc1C[N@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000026161138 372314643 /nfs/dbraw/zinc/31/46/43/372314643.db2.gz KPXKVDCDEYREDA-MRXNPFEDSA-N 1 1 268.360 2.653 50 0 CFAAMO CC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC)cc1 ZINC000026926339 372332257 /nfs/dbraw/zinc/33/22/57/372332257.db2.gz QJYXYYYCEIPYKR-UHFFFAOYSA-N 1 1 272.348 2.661 50 0 CFAAMO O=C(/C=C\c1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031829914 372419143 /nfs/dbraw/zinc/41/91/43/372419143.db2.gz PFGPYFNLSLWTKS-HJWRWDBZSA-N 1 1 296.370 2.637 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000030697236 372397677 /nfs/dbraw/zinc/39/76/77/372397677.db2.gz NDCIZFXIECMVHN-UHFFFAOYSA-N 1 1 274.711 2.943 50 0 CFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000031338072 372408857 /nfs/dbraw/zinc/40/88/57/372408857.db2.gz CZQLFUOLCRWSIA-UHFFFAOYSA-N 1 1 298.361 2.614 50 0 CFAAMO CC(C)(C)c1cc2ncn(Cc3[nH]cc[nH+]3)c(=O)c2s1 ZINC000032580834 372445595 /nfs/dbraw/zinc/44/55/95/372445595.db2.gz FTMPLMUPOOLYQL-UHFFFAOYSA-N 1 1 288.376 2.527 50 0 CFAAMO C=Cn1c(C=O)cc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000034792343 372514466 /nfs/dbraw/zinc/51/44/66/372514466.db2.gz GQDCUGIFPKHFCS-UHFFFAOYSA-N 1 1 266.344 2.959 50 0 CFAAMO C=Cn1c(C=O)cc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000034792343 372514473 /nfs/dbraw/zinc/51/44/73/372514473.db2.gz GQDCUGIFPKHFCS-UHFFFAOYSA-N 1 1 266.344 2.959 50 0 CFAAMO CCC[C@H](O)C[N@@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036100182 372558772 /nfs/dbraw/zinc/55/87/72/372558772.db2.gz ZLGSGNPPOGZBGK-INIZCTEOSA-N 1 1 295.423 2.695 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1c(C)nc2sc(C)cn12 ZINC000036820532 372599814 /nfs/dbraw/zinc/59/98/14/372599814.db2.gz CMGIJEVAXIBGMO-CYBMUJFWSA-N 1 1 292.452 2.587 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1c(C)nc2sc(C)cn12 ZINC000036820532 372599820 /nfs/dbraw/zinc/59/98/20/372599820.db2.gz CMGIJEVAXIBGMO-CYBMUJFWSA-N 1 1 292.452 2.587 50 0 CFAAMO [NH3+]CCCNCc1sc2ccccc2c1Cl ZINC000038009216 372763223 /nfs/dbraw/zinc/76/32/23/372763223.db2.gz PJHKZXPJQZBVFY-UHFFFAOYSA-N 1 1 254.786 2.993 50 0 CFAAMO CCCC[N@@H+](CC)C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000042289301 372900717 /nfs/dbraw/zinc/90/07/17/372900717.db2.gz KYNXUQSUVYANNZ-AWEZNQCLSA-N 1 1 279.380 2.613 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000046877985 373065408 /nfs/dbraw/zinc/06/54/08/373065408.db2.gz FAFRATKLBMKXHJ-NSHDSACASA-N 1 1 298.789 2.941 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC000048354048 373168387 /nfs/dbraw/zinc/16/83/87/373168387.db2.gz RECPFWMOMRCLQH-NSHDSACASA-N 1 1 284.762 2.693 50 0 CFAAMO c1c(C[NH+]2CCSCC2)onc1-c1ccccc1 ZINC000047987456 373136854 /nfs/dbraw/zinc/13/68/54/373136854.db2.gz SBACALGJUGOQTM-UHFFFAOYSA-N 1 1 260.362 2.890 50 0 CFAAMO COC1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000051155080 373389617 /nfs/dbraw/zinc/38/96/17/373389617.db2.gz WJPLMBIBTQHZSV-UHFFFAOYSA-N 1 1 254.399 2.877 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)on1 ZINC000052010016 373429449 /nfs/dbraw/zinc/42/94/49/373429449.db2.gz UJPYNEKCQBOWSF-GJZGRUSLSA-N 1 1 272.348 2.854 50 0 CFAAMO CC(=O)Nc1cccc2c1CCN(c1cc(C)[nH+]c(C)n1)C2 ZINC000054125438 373500651 /nfs/dbraw/zinc/50/06/51/373500651.db2.gz DAHGAYDBYNNRHW-UHFFFAOYSA-N 1 1 296.374 2.615 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1 ZINC000054583357 373526768 /nfs/dbraw/zinc/52/67/68/373526768.db2.gz LSSMFCHPEKEPOY-IAQYHMDHSA-N 1 1 272.323 2.703 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000054976518 373532364 /nfs/dbraw/zinc/53/23/64/373532364.db2.gz GDGJJJMFINQFHI-DVOMOZLQSA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000054976518 373532371 /nfs/dbraw/zinc/53/23/71/373532371.db2.gz GDGJJJMFINQFHI-DVOMOZLQSA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000054976518 373532379 /nfs/dbraw/zinc/53/23/79/373532379.db2.gz GDGJJJMFINQFHI-DVOMOZLQSA-N 1 1 262.397 2.514 50 0 CFAAMO CCCCCC[C@H]1CC(=O)N(C[NH+]2CCCCC2)C(=O)N1 ZINC000057211607 373581097 /nfs/dbraw/zinc/58/10/97/373581097.db2.gz OJEBYCGYYYHZOX-AWEZNQCLSA-N 1 1 295.427 2.711 50 0 CFAAMO CC/C=C(\C)C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000055108372 373541924 /nfs/dbraw/zinc/54/19/24/373541924.db2.gz LTGQBIPIAUQJRS-VIZOYTHASA-N 1 1 272.392 2.801 50 0 CFAAMO CCn1ccnc1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055403223 373551698 /nfs/dbraw/zinc/55/16/98/373551698.db2.gz DPFXAPUBTUHGHO-UHFFFAOYSA-N 1 1 299.353 2.722 50 0 CFAAMO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(CO)o1 ZINC000055413641 373551900 /nfs/dbraw/zinc/55/19/00/373551900.db2.gz DZRSCJSDLFICRG-ZDUSSCGKSA-N 1 1 295.404 2.607 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000058015328 373623011 /nfs/dbraw/zinc/62/30/11/373623011.db2.gz RGQRAWRYHIBTIL-ZNMIVQPWSA-N 1 1 266.429 2.755 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2F)C1 ZINC000058265227 373639279 /nfs/dbraw/zinc/63/92/79/373639279.db2.gz FIXKEFIRKUJKML-GFCCVEGCSA-N 1 1 296.361 2.815 50 0 CFAAMO Cc1cc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)c(C)o1 ZINC000058433965 373659354 /nfs/dbraw/zinc/65/93/54/373659354.db2.gz VTXQUFAQWOCLQB-NSHDSACASA-N 1 1 290.411 2.855 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cnc2ccccc21 ZINC000060343612 373691376 /nfs/dbraw/zinc/69/13/76/373691376.db2.gz LPZXSCSDEGYQHR-INIZCTEOSA-N 1 1 295.386 2.529 50 0 CFAAMO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1cc(C)nn1C ZINC000063856617 373817277 /nfs/dbraw/zinc/81/72/77/373817277.db2.gz BURGDURPMYWXGW-ZDUSSCGKSA-N 1 1 293.436 2.563 50 0 CFAAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1cc(C)nn1C ZINC000063856617 373817279 /nfs/dbraw/zinc/81/72/79/373817279.db2.gz BURGDURPMYWXGW-ZDUSSCGKSA-N 1 1 293.436 2.563 50 0 CFAAMO OCC[N@H+](Cc1csc(Br)c1)CC1CC1 ZINC000064516083 373823456 /nfs/dbraw/zinc/82/34/56/373823456.db2.gz QFGJWNNNNJXSHL-UHFFFAOYSA-N 1 1 290.226 2.715 50 0 CFAAMO C[C@H](Nc1nc(N(C)C)[nH+]c2c1CCCC2)c1cccnc1 ZINC000065497544 373880569 /nfs/dbraw/zinc/88/05/69/373880569.db2.gz REBLHVWKFXGPDH-LBPRGKRZSA-N 1 1 297.406 2.990 50 0 CFAAMO COC(=O)c1oc(C[N@@H+](C)[C@H](C)C2CC2)cc1C ZINC000065542152 373884026 /nfs/dbraw/zinc/88/40/26/373884026.db2.gz JLSHPDJPJYVXGU-SNVBAGLBSA-N 1 1 251.326 2.605 50 0 CFAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(OC)c1 ZINC000065621639 373895909 /nfs/dbraw/zinc/89/59/09/373895909.db2.gz NEAHOXGENLRKGX-LBPRGKRZSA-N 1 1 279.384 2.547 50 0 CFAAMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000065287733 373853057 /nfs/dbraw/zinc/85/30/57/373853057.db2.gz SKJHQDVSIQBYGM-INIZCTEOSA-N 1 1 284.407 2.986 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2ccccc2F)n1 ZINC000065288334 373855048 /nfs/dbraw/zinc/85/50/48/373855048.db2.gz FMAVRVUOFRBSTN-UHFFFAOYSA-N 1 1 272.283 2.683 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2ccc(C)cc2)n1 ZINC000065288337 373855381 /nfs/dbraw/zinc/85/53/81/373855381.db2.gz VAGWGVLQEUZDNJ-UHFFFAOYSA-N 1 1 268.320 2.852 50 0 CFAAMO CC(C)Cc1nc([C@H](C)n2cc[nH+]c2C(C)C)n[nH]1 ZINC000065366210 373858846 /nfs/dbraw/zinc/85/88/46/373858846.db2.gz KYXSYNBAHUPTAW-NSHDSACASA-N 1 1 261.373 2.932 50 0 CFAAMO C[C@H](Cc1ccccn1)[N@@H+](C)C1CCSCC1 ZINC000065370586 373859276 /nfs/dbraw/zinc/85/92/76/373859276.db2.gz IDLDVYLXHRCTIN-GFCCVEGCSA-N 1 1 250.411 2.840 50 0 CFAAMO CCc1cnc(C)nc1N1CC[N@@H+](C(C)C)[C@H](CC)C1 ZINC000065371722 373859681 /nfs/dbraw/zinc/85/96/81/373859681.db2.gz SQEGIXNCGWGFII-OAHLLOKOSA-N 1 1 276.428 2.656 50 0 CFAAMO C[C@H](c1ccccn1)[N@H+](C)Cc1cccn1-c1ncccn1 ZINC000065383453 373861650 /nfs/dbraw/zinc/86/16/50/373861650.db2.gz NRILPAFILAYCHR-CQSZACIVSA-N 1 1 293.374 2.855 50 0 CFAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccn1-c1ncccn1 ZINC000065383453 373861656 /nfs/dbraw/zinc/86/16/56/373861656.db2.gz NRILPAFILAYCHR-CQSZACIVSA-N 1 1 293.374 2.855 50 0 CFAAMO CNc1cc[nH+]c(N(C)Cc2ccc3ccccc3n2)n1 ZINC000065394519 373864411 /nfs/dbraw/zinc/86/44/11/373864411.db2.gz FSUWSDQUQPCCSL-UHFFFAOYSA-N 1 1 279.347 2.703 50 0 CFAAMO Cc1nc[nH]c1C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000065421403 373869287 /nfs/dbraw/zinc/86/92/87/373869287.db2.gz UNUYABFLWWLDCQ-UHFFFAOYSA-N 1 1 259.353 2.537 50 0 CFAAMO COc1ccc(OC)c([C@H]2CC[N@H+](C3CCOCC3)C2)c1 ZINC000065457488 373873296 /nfs/dbraw/zinc/87/32/96/373873296.db2.gz NIPCJJQCNQRGOI-ZDUSSCGKSA-N 1 1 291.391 2.672 50 0 CFAAMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065474561 373877364 /nfs/dbraw/zinc/87/73/64/373877364.db2.gz DOTFKDGMWLAAAI-AWEZNQCLSA-N 1 1 278.371 2.564 50 0 CFAAMO Cc1nnsc1C[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065491106 373877722 /nfs/dbraw/zinc/87/77/22/373877722.db2.gz HEYIZFJGVZUAPI-UHFFFAOYSA-N 1 1 299.403 2.664 50 0 CFAAMO Cc1nnsc1C[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065491106 373877725 /nfs/dbraw/zinc/87/77/25/373877725.db2.gz HEYIZFJGVZUAPI-UHFFFAOYSA-N 1 1 299.403 2.664 50 0 CFAAMO Cc1csc([C@@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000065478954 373877833 /nfs/dbraw/zinc/87/78/33/373877833.db2.gz ULUOVWMHBJFNCM-ZDUSSCGKSA-N 1 1 296.436 2.520 50 0 CFAAMO Cc1csc([C@@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000065478954 373877838 /nfs/dbraw/zinc/87/78/38/373877838.db2.gz ULUOVWMHBJFNCM-ZDUSSCGKSA-N 1 1 296.436 2.520 50 0 CFAAMO Cn1cncc1CN1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000067834073 374006635 /nfs/dbraw/zinc/00/66/35/374006635.db2.gz LYNROLIJXYJAQG-GOSISDBHSA-N 1 1 298.434 2.819 50 0 CFAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000067921007 374015297 /nfs/dbraw/zinc/01/52/97/374015297.db2.gz AZPPVBGUMYQEET-HNNXBMFYSA-N 1 1 292.398 2.791 50 0 CFAAMO COc1c(C)cc(CNCC(C)(C)C[NH+](C)C)cc1C ZINC000067182567 373971635 /nfs/dbraw/zinc/97/16/35/373971635.db2.gz DZOLASJEXAFJGR-UHFFFAOYSA-N 1 1 278.440 2.989 50 0 CFAAMO COc1c(C)cc(C[NH2+]CC(C)(C)CN(C)C)cc1C ZINC000067182567 373971643 /nfs/dbraw/zinc/97/16/43/373971643.db2.gz DZOLASJEXAFJGR-UHFFFAOYSA-N 1 1 278.440 2.989 50 0 CFAAMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc[nH]1 ZINC000067361000 373976606 /nfs/dbraw/zinc/97/66/06/373976606.db2.gz UCVBDSCMNMFVEU-INIZCTEOSA-N 1 1 297.402 2.799 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)s1 ZINC000069598555 374078240 /nfs/dbraw/zinc/07/82/40/374078240.db2.gz VGTJFXIKZYBXKU-NXEZZACHSA-N 1 1 284.812 2.758 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000069597180 374078982 /nfs/dbraw/zinc/07/89/82/374078982.db2.gz MHFLVTBMBZGDNI-SJORKVTESA-N 1 1 290.451 2.898 50 0 CFAAMO C[N@@H+](CCOc1ccccc1F)Cc1ccccn1 ZINC000069387775 374057737 /nfs/dbraw/zinc/05/77/37/374057737.db2.gz LWOYEYPQZUZWCU-UHFFFAOYSA-N 1 1 260.312 2.732 50 0 CFAAMO C[C@H](Cn1cccn1)[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC000069444344 374064544 /nfs/dbraw/zinc/06/45/44/374064544.db2.gz STNINBRBTRPJBE-CYBMUJFWSA-N 1 1 282.347 2.716 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)o1 ZINC000069455521 374066190 /nfs/dbraw/zinc/06/61/90/374066190.db2.gz RCZGJLQXXAMNCH-KGLIPLIRSA-N 1 1 276.380 2.541 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000069489678 374067867 /nfs/dbraw/zinc/06/78/67/374067867.db2.gz KPZKKQMSCCAWDR-IRXDYDNUSA-N 1 1 297.402 2.867 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000069528641 374073049 /nfs/dbraw/zinc/07/30/49/374073049.db2.gz HXCSZFBHJUHVJO-CABCVRRESA-N 1 1 294.345 2.664 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1F ZINC000069571442 374077021 /nfs/dbraw/zinc/07/70/21/374077021.db2.gz SNGIBDXFNZKJDM-GJZGRUSLSA-N 1 1 276.355 2.525 50 0 CFAAMO Cc1cnn(CC[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000069966564 374112849 /nfs/dbraw/zinc/11/28/49/374112849.db2.gz SGEYLNAFXXHISK-UHFFFAOYSA-N 1 1 288.376 2.698 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2Cc2c(C)noc2C)n1 ZINC000070010493 374114450 /nfs/dbraw/zinc/11/44/50/374114450.db2.gz ONTWWRCSPARXBN-OAHLLOKOSA-N 1 1 288.395 2.769 50 0 CFAAMO C(=C/c1ccccc1)\C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069741011 374091026 /nfs/dbraw/zinc/09/10/26/374091026.db2.gz WHMMCVBNEORLJZ-RCMYXZNBSA-N 1 1 282.391 2.846 50 0 CFAAMO CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069738321 374091647 /nfs/dbraw/zinc/09/16/47/374091647.db2.gz BTRGSDZEZVINML-ZBFHGGJFSA-N 1 1 274.408 2.733 50 0 CFAAMO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1F ZINC000069810853 374100667 /nfs/dbraw/zinc/10/06/67/374100667.db2.gz XHIOEHOJOFSENV-JKSUJKDBSA-N 1 1 290.382 2.833 50 0 CFAAMO CC[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CCOC ZINC000069844781 374105290 /nfs/dbraw/zinc/10/52/90/374105290.db2.gz NGAMXVKBFHKAJE-SFHVURJKSA-N 1 1 290.451 2.662 50 0 CFAAMO CC[C@H]1CN(CCCc2ccccc2)CC[N@@H+]1CCOC ZINC000069844781 374105298 /nfs/dbraw/zinc/10/52/98/374105298.db2.gz NGAMXVKBFHKAJE-SFHVURJKSA-N 1 1 290.451 2.662 50 0 CFAAMO CC[C@H]1CN(CCCc2ccccc2)CC[N@H+]1CCOC ZINC000069844781 374105307 /nfs/dbraw/zinc/10/53/07/374105307.db2.gz NGAMXVKBFHKAJE-SFHVURJKSA-N 1 1 290.451 2.662 50 0 CFAAMO CC(C)c1nccc(C[N@H+]2CCC[C@@H](Cn3ccnc3)C2)n1 ZINC000071768047 374222308 /nfs/dbraw/zinc/22/23/08/374222308.db2.gz YJSFGBBZBDKMSK-OAHLLOKOSA-N 1 1 299.422 2.709 50 0 CFAAMO CN(C[C@@H]1CCC[N@H+]1C)c1nccc(C2CCCC2)n1 ZINC000071776487 374223101 /nfs/dbraw/zinc/22/31/01/374223101.db2.gz AHGVSCDZNROZPA-AWEZNQCLSA-N 1 1 274.412 2.665 50 0 CFAAMO Cc1cc(C2CCC2)nc(NCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000071777332 374223475 /nfs/dbraw/zinc/22/34/75/374223475.db2.gz MDANFAOZSLZRKZ-AWEZNQCLSA-N 1 1 274.412 2.949 50 0 CFAAMO Cc1ccc(N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000072429908 374251628 /nfs/dbraw/zinc/25/16/28/374251628.db2.gz QFOVRFJAXWGLED-QGZVFWFLSA-N 1 1 296.418 2.904 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072421961 374252214 /nfs/dbraw/zinc/25/22/14/374252214.db2.gz PTPVRRHTRRVSKZ-KRWDZBQOSA-N 1 1 291.435 2.858 50 0 CFAAMO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1F ZINC000072293064 374241541 /nfs/dbraw/zinc/24/15/41/374241541.db2.gz ORZFPQNPWTWCRE-SECBINFHSA-N 1 1 270.735 2.902 50 0 CFAAMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1F ZINC000072293064 374241546 /nfs/dbraw/zinc/24/15/46/374241546.db2.gz ORZFPQNPWTWCRE-SECBINFHSA-N 1 1 270.735 2.902 50 0 CFAAMO CC(C)[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CCC1 ZINC000075145348 374460974 /nfs/dbraw/zinc/46/09/74/374460974.db2.gz IKYIDGBJCFRJDC-UHFFFAOYSA-N 1 1 277.393 2.519 50 0 CFAAMO Cc1cc(N[C@H](CO)Cc2c[nH]c3ccccc23)nc(C)[nH+]1 ZINC000076065056 374526366 /nfs/dbraw/zinc/52/63/66/374526366.db2.gz BKQLWHUUBIBOPE-AWEZNQCLSA-N 1 1 296.374 2.590 50 0 CFAAMO O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)N1CCCC1 ZINC000077177115 374559990 /nfs/dbraw/zinc/55/99/90/374559990.db2.gz LDXWPWDJVAFZEH-CQSZACIVSA-N 1 1 276.380 2.819 50 0 CFAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947868 374576560 /nfs/dbraw/zinc/57/65/60/374576560.db2.gz HKULEZPUFWSDOV-UONOGXRCSA-N 1 1 265.426 2.891 50 0 CFAAMO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1Cl ZINC000079058571 374589719 /nfs/dbraw/zinc/58/97/19/374589719.db2.gz WGBGDNHLAHPPKB-LLVKDONJSA-N 1 1 267.756 2.725 50 0 CFAAMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC2(CC1)OCCO2 ZINC000059402614 296222481 /nfs/dbraw/zinc/22/24/81/296222481.db2.gz ILNVGNPLGLUTQO-NSHDSACASA-N 1 1 283.318 2.865 50 0 CFAAMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cc[nH]n2)cc1 ZINC000084290991 374774368 /nfs/dbraw/zinc/77/43/68/374774368.db2.gz JRRREOAIFDLXTR-GFCCVEGCSA-N 1 1 281.363 2.755 50 0 CFAAMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000089289538 374894096 /nfs/dbraw/zinc/89/40/96/374894096.db2.gz VDLSARRYPRKELP-CQSZACIVSA-N 1 1 292.448 2.933 50 0 CFAAMO COc1ccc(CC[NH2+][C@@H](C)c2cn[nH]c2C)cc1OC ZINC000089544458 374921917 /nfs/dbraw/zinc/92/19/17/374921917.db2.gz UAPQDQFDCPCTOJ-NSHDSACASA-N 1 1 289.379 2.629 50 0 CFAAMO C[C@H](O)[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894296 374965490 /nfs/dbraw/zinc/96/54/90/374965490.db2.gz DYRKSLCHXYRGMT-RYUDHWBXSA-N 1 1 292.404 2.996 50 0 CFAAMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894296 374965493 /nfs/dbraw/zinc/96/54/93/374965493.db2.gz DYRKSLCHXYRGMT-RYUDHWBXSA-N 1 1 292.404 2.996 50 0 CFAAMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000089942804 374974438 /nfs/dbraw/zinc/97/44/38/374974438.db2.gz ODHMIEBZJPOPHE-GOEBONIOSA-N 1 1 287.407 2.768 50 0 CFAAMO CC[N@H+]1CCCN(Cc2ccc3ccccc3n2)CC1 ZINC000089977265 374980156 /nfs/dbraw/zinc/98/01/56/374980156.db2.gz SFFJUSUJPIVFKS-UHFFFAOYSA-N 1 1 269.392 2.762 50 0 CFAAMO Cc1ccc(C)c([C@@H](O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000089937499 374971996 /nfs/dbraw/zinc/97/19/96/374971996.db2.gz KUQNDSSCFWRYIV-HIFRSBDPSA-N 1 1 265.422 2.774 50 0 CFAAMO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c[nH]1 ZINC000093316003 375209284 /nfs/dbraw/zinc/20/92/84/375209284.db2.gz KPNJTXLKOCUDMF-LLVKDONJSA-N 1 1 288.347 2.700 50 0 CFAAMO Cn1c2ccccc2nc1C[N@@H+](C)C1CCSCC1 ZINC000093363930 375222910 /nfs/dbraw/zinc/22/29/10/375222910.db2.gz RYKPYTYULLBMIW-UHFFFAOYSA-N 1 1 275.421 2.901 50 0 CFAAMO Fc1cc(F)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1F ZINC000093820727 375317091 /nfs/dbraw/zinc/31/70/91/375317091.db2.gz TUNWMVJFIQNXEG-CQSZACIVSA-N 1 1 271.282 2.716 50 0 CFAAMO Fc1cc(F)c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1F ZINC000093820727 375317093 /nfs/dbraw/zinc/31/70/93/375317093.db2.gz TUNWMVJFIQNXEG-CQSZACIVSA-N 1 1 271.282 2.716 50 0 CFAAMO C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CCOC1 ZINC000093839672 375318409 /nfs/dbraw/zinc/31/84/09/375318409.db2.gz CYNRNBRQBRZBSI-NSHDSACASA-N 1 1 289.297 2.895 50 0 CFAAMO Cc1ccc(O)c(C[N@@H+](C)Cc2cn(C)nc2C(C)C)n1 ZINC000093867167 375322894 /nfs/dbraw/zinc/32/28/94/375322894.db2.gz YKJXYMPTPGDJOV-UHFFFAOYSA-N 1 1 288.395 2.585 50 0 CFAAMO Cc1ccc(O)c(C[N@H+](C)Cc2cn(C)nc2C(C)C)n1 ZINC000093867167 375322896 /nfs/dbraw/zinc/32/28/96/375322896.db2.gz YKJXYMPTPGDJOV-UHFFFAOYSA-N 1 1 288.395 2.585 50 0 CFAAMO COc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1OC ZINC000093589163 375270452 /nfs/dbraw/zinc/27/04/52/375270452.db2.gz QZOCVBRJWAUUAI-UHFFFAOYSA-N 1 1 291.391 2.849 50 0 CFAAMO COc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1OC ZINC000093589163 375270456 /nfs/dbraw/zinc/27/04/56/375270456.db2.gz QZOCVBRJWAUUAI-UHFFFAOYSA-N 1 1 291.391 2.849 50 0 CFAAMO CCCCn1cc[nH+]c1[C@@H]1CCCN(c2ncccn2)C1 ZINC000095521014 375461655 /nfs/dbraw/zinc/46/16/55/375461655.db2.gz MFMMMQDZMDBGDG-CQSZACIVSA-N 1 1 285.395 2.857 50 0 CFAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000095193338 375415479 /nfs/dbraw/zinc/41/54/79/375415479.db2.gz OQRQYLBNHYLUTI-UHFFFAOYSA-N 1 1 285.376 2.560 50 0 CFAAMO c1cc(-c2ccc(C[N@H+]3CCC[C@@]4(CCOC4)C3)o2)n[nH]1 ZINC000095358396 375419300 /nfs/dbraw/zinc/41/93/00/375419300.db2.gz KMNZWPOGQDHRSF-MRXNPFEDSA-N 1 1 287.363 2.672 50 0 CFAAMO Cc1nnc(NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)o1 ZINC000095359107 375419866 /nfs/dbraw/zinc/41/98/66/375419866.db2.gz XNZUDICNJTVZMU-UHFFFAOYSA-N 1 1 285.351 2.916 50 0 CFAAMO CCC[N@H+]1CC[C@H](Nc2ncnc3nc(C)cc(C)c32)C1 ZINC000095367163 375422005 /nfs/dbraw/zinc/42/20/05/375422005.db2.gz KPWVDMKYJADXBQ-ZDUSSCGKSA-N 1 1 285.395 2.538 50 0 CFAAMO Cc1nc2ccc(CNc3cc(C(C)C)[nH+]c(N)n3)cc2[nH]1 ZINC000095362329 375422013 /nfs/dbraw/zinc/42/20/13/375422013.db2.gz ISPICHXUYMJIBU-UHFFFAOYSA-N 1 1 296.378 2.979 50 0 CFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1ncccc1F)C2 ZINC000095373863 375422690 /nfs/dbraw/zinc/42/26/90/375422690.db2.gz UPBAIQKGYHVUPF-CHWSQXEVSA-N 1 1 263.360 2.531 50 0 CFAAMO CCCc1nnc(N2C[C@H]3CC[C@H](C[N@@H+]3CCC)C2)s1 ZINC000095370655 375423362 /nfs/dbraw/zinc/42/33/62/375423362.db2.gz WSYVGNBUZRKFGU-CHWSQXEVSA-N 1 1 294.468 2.801 50 0 CFAAMO CCc1c[nH+]c(N)nc1NCCSC(C)(C)C ZINC000095371600 375423792 /nfs/dbraw/zinc/42/37/92/375423792.db2.gz KZNBEDORSDJJPE-UHFFFAOYSA-N 1 1 254.403 2.565 50 0 CFAAMO Cc1nc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)sc1C ZINC000095384189 375426936 /nfs/dbraw/zinc/42/69/36/375426936.db2.gz AXYHRWYJWTYNOC-CYBMUJFWSA-N 1 1 295.452 2.641 50 0 CFAAMO c1nc(C2CC2)cc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)n1 ZINC000095382753 375427583 /nfs/dbraw/zinc/42/75/83/375427583.db2.gz IXUQLNDWHXWMBL-GDBMZVCRSA-N 1 1 298.434 2.665 50 0 CFAAMO Cc1ccccc1[C@H](C(=O)NCCc1ccco1)[NH+](C)C ZINC000095391403 375428192 /nfs/dbraw/zinc/42/81/92/375428192.db2.gz MLCRGTNRNFLJLZ-MRXNPFEDSA-N 1 1 286.375 2.550 50 0 CFAAMO OCCC[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCCc2ccccc21 ZINC000095408340 375435097 /nfs/dbraw/zinc/43/50/97/375435097.db2.gz DUTBPJDIUZHNRQ-MAUKXSAKSA-N 1 1 289.419 2.785 50 0 CFAAMO COc1ccc([C@@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000095420561 375441290 /nfs/dbraw/zinc/44/12/90/375441290.db2.gz OGSFVHJTUPUMBU-MLGOLLRUSA-N 1 1 262.397 2.686 50 0 CFAAMO c1ncn(CC[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000095426354 375444238 /nfs/dbraw/zinc/44/42/38/375444238.db2.gz BKTFDQBXFAUFBV-IAGOWNOFSA-N 1 1 282.391 2.679 50 0 CFAAMO Fc1ccc2c(c1)C[N@H+](CCc1ccncc1)CC2 ZINC000095432349 375447170 /nfs/dbraw/zinc/44/71/70/375447170.db2.gz MMPLNOQVDFNHJH-UHFFFAOYSA-N 1 1 256.324 2.822 50 0 CFAAMO CC(C)c1ccc(CC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000097162410 375533926 /nfs/dbraw/zinc/53/39/26/375533926.db2.gz BAPDLIWNUOYDPM-INIZCTEOSA-N 1 1 274.408 2.550 50 0 CFAAMO Cc1cccc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)[nH+]1 ZINC000097163431 375534782 /nfs/dbraw/zinc/53/47/82/375534782.db2.gz ABVPPVWVQQFTLD-CYBMUJFWSA-N 1 1 288.313 2.920 50 0 CFAAMO Cc1cccc(NC[C@@H](O)COc2ccc(F)c(F)c2)[nH+]1 ZINC000097163294 375535476 /nfs/dbraw/zinc/53/54/76/375535476.db2.gz LHFZECISAYKKCP-LLVKDONJSA-N 1 1 294.301 2.520 50 0 CFAAMO C[C@@H]1C[N@H+](C2CC(c3cccc(F)c3)C2)C[C@H](C)N1 ZINC000097165801 375535731 /nfs/dbraw/zinc/53/57/31/375535731.db2.gz ADVOKXJUMRZTRF-FFMGESDNSA-N 1 1 262.372 2.754 50 0 CFAAMO C[C@@H]1C[N@@H+](C2CC(c3cccc(F)c3)C2)C[C@H](C)N1 ZINC000097165801 375535737 /nfs/dbraw/zinc/53/57/37/375535737.db2.gz ADVOKXJUMRZTRF-FFMGESDNSA-N 1 1 262.372 2.754 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1nnc2n1CCCC2 ZINC000097228375 375541769 /nfs/dbraw/zinc/54/17/69/375541769.db2.gz DPYDUVCANHHBHH-DTWKUNHWSA-N 1 1 276.306 2.606 50 0 CFAAMO COc1ccc(F)c(C[N@@H+](C)CCc2ccncc2)c1 ZINC000097088544 375513870 /nfs/dbraw/zinc/51/38/70/375513870.db2.gz GUKGMQVDZHZPIT-UHFFFAOYSA-N 1 1 274.339 2.904 50 0 CFAAMO Cc1cc(C[N@@H+](C)Cc2ccncc2)ccc1-n1cncn1 ZINC000097113744 375524538 /nfs/dbraw/zinc/52/45/38/375524538.db2.gz ZFSZDSUWBDVODY-UHFFFAOYSA-N 1 1 293.374 2.603 50 0 CFAAMO COc1ccc(OC)c2c1C[N@@H+](CCC(C)C)C[C@H]2O ZINC000097133568 375525574 /nfs/dbraw/zinc/52/55/74/375525574.db2.gz GNRWDQGYYWFQMB-CYBMUJFWSA-N 1 1 279.380 2.599 50 0 CFAAMO COc1ccc([C@@H](C)C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000097236801 375545146 /nfs/dbraw/zinc/54/51/46/375545146.db2.gz QGNUAWVYVSYIOI-AWEZNQCLSA-N 1 1 291.391 2.638 50 0 CFAAMO COc1ccc([C@H](C)C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000097236802 375545268 /nfs/dbraw/zinc/54/52/68/375545268.db2.gz QGNUAWVYVSYIOI-CQSZACIVSA-N 1 1 291.391 2.638 50 0 CFAAMO O[C@@H](C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000097141577 375529200 /nfs/dbraw/zinc/52/92/00/375529200.db2.gz IDVFDBRLLWXNQP-NEPJUHHUSA-N 1 1 277.261 2.886 50 0 CFAAMO CC[N@@H+](Cc1c(F)c(F)ccc1OC)C1CCOCC1 ZINC000097307821 375548532 /nfs/dbraw/zinc/54/85/32/375548532.db2.gz HLHXXOJOCSGRAT-UHFFFAOYSA-N 1 1 285.334 2.974 50 0 CFAAMO Cc1cc([NH+](C)C)cc(C)c1NCc1csnn1 ZINC000097376930 375555623 /nfs/dbraw/zinc/55/56/23/375555623.db2.gz CPWSPDIMFVKWPQ-UHFFFAOYSA-N 1 1 262.382 2.833 50 0 CFAAMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000098069131 375598387 /nfs/dbraw/zinc/59/83/87/375598387.db2.gz QPZMDXBDSCZYFI-AWEZNQCLSA-N 1 1 292.398 2.905 50 0 CFAAMO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000098069131 375598394 /nfs/dbraw/zinc/59/83/94/375598394.db2.gz QPZMDXBDSCZYFI-AWEZNQCLSA-N 1 1 292.398 2.905 50 0 CFAAMO COCc1cc(C[N@H+]2CCCCC[C@H]2CO)ccc1OC ZINC000097436982 375559667 /nfs/dbraw/zinc/55/96/67/375559667.db2.gz XNWZFPALVSXPEO-INIZCTEOSA-N 1 1 293.407 2.579 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCC[C@H]2CCO)cc1C ZINC000097636734 375575648 /nfs/dbraw/zinc/57/56/48/375575648.db2.gz GNSPIJCPPPIBKO-HNNXBMFYSA-N 1 1 263.381 2.659 50 0 CFAAMO OC[C@H]1CCCCC[N@H+]1Cc1ccnc2ccccc12 ZINC000097679961 375577479 /nfs/dbraw/zinc/57/74/79/375577479.db2.gz XMYCFVPMJOFPEC-OAHLLOKOSA-N 1 1 270.376 2.972 50 0 CFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000097732877 375582024 /nfs/dbraw/zinc/58/20/24/375582024.db2.gz IXQJXQXDUZKXKE-LBPRGKRZSA-N 1 1 287.411 2.560 50 0 CFAAMO C1=CC[NH+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000101146273 375634101 /nfs/dbraw/zinc/63/41/01/375634101.db2.gz MSVWVMLNBRODQR-UHFFFAOYSA-N 1 1 276.343 2.768 50 0 CFAAMO CCc1cnc(C)nc1N1CC[N@@H+](C(C)C)[C@@H](CC)C1 ZINC000106240647 375795818 /nfs/dbraw/zinc/79/58/18/375795818.db2.gz SQEGIXNCGWGFII-HNNXBMFYSA-N 1 1 276.428 2.656 50 0 CFAAMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000106865458 375802362 /nfs/dbraw/zinc/80/23/62/375802362.db2.gz BCLLHURIICTNQZ-YOEHRIQHSA-N 1 1 285.391 2.608 50 0 CFAAMO Cn1cc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cn1 ZINC000120167822 376558961 /nfs/dbraw/zinc/55/89/61/376558961.db2.gz WKHSVDYIJCJLJO-OAHLLOKOSA-N 1 1 291.782 2.727 50 0 CFAAMO Fc1ccc(C[C@H]2CC[N@@H+](CCn3ccnc3)C2)cc1 ZINC000131402515 377706954 /nfs/dbraw/zinc/70/69/54/377706954.db2.gz QDRXATSKMKYXIS-OAHLLOKOSA-N 1 1 273.355 2.587 50 0 CFAAMO Cn1cc(CN2CCC[N@H+]([C@@H]3CCC(C)(C)C3)CC2)cn1 ZINC000334320533 379088121 /nfs/dbraw/zinc/08/81/21/379088121.db2.gz ZYONHUWJSFYLND-MRXNPFEDSA-N 1 1 290.455 2.507 50 0 CFAAMO Fc1ccc(OCCc2noc([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000169676515 379107788 /nfs/dbraw/zinc/10/77/88/379107788.db2.gz JMNKMGDBTLWKAS-CYBMUJFWSA-N 1 1 291.326 2.645 50 0 CFAAMO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000170639689 379133247 /nfs/dbraw/zinc/13/32/47/379133247.db2.gz BLBNAZJJUPUYML-LBPRGKRZSA-N 1 1 268.401 2.728 50 0 CFAAMO OC[C@@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000266466349 190259285 /nfs/dbraw/zinc/25/92/85/190259285.db2.gz ZJPNRIKCFLCMQI-NSHDSACASA-N 1 1 262.740 2.849 50 0 CFAAMO Cc1nnc([C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)[nH]1 ZINC000334676123 379751143 /nfs/dbraw/zinc/75/11/43/379751143.db2.gz MMYSWWHKCOLTDD-CQSZACIVSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CC3=CCCCC3)C2)n1 ZINC000334676123 379751151 /nfs/dbraw/zinc/75/11/51/379751151.db2.gz MMYSWWHKCOLTDD-CQSZACIVSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)n1 ZINC000334676123 379751157 /nfs/dbraw/zinc/75/11/57/379751157.db2.gz MMYSWWHKCOLTDD-CQSZACIVSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+](CC3=CCCCC3)C2)n[nH]1 ZINC000334676123 379751175 /nfs/dbraw/zinc/75/11/75/379751175.db2.gz MMYSWWHKCOLTDD-CQSZACIVSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)n[nH]1 ZINC000334676123 379751183 /nfs/dbraw/zinc/75/11/83/379751183.db2.gz MMYSWWHKCOLTDD-CQSZACIVSA-N 1 1 260.385 2.793 50 0 CFAAMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000279023475 194254129 /nfs/dbraw/zinc/25/41/29/194254129.db2.gz WAPKQAKXTFKSLR-HNNXBMFYSA-N 1 1 293.798 2.893 50 0 CFAAMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000279023475 194254132 /nfs/dbraw/zinc/25/41/32/194254132.db2.gz WAPKQAKXTFKSLR-HNNXBMFYSA-N 1 1 293.798 2.893 50 0 CFAAMO C=CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000408525926 380942632 /nfs/dbraw/zinc/94/26/32/380942632.db2.gz QDCMTSNREPSPKI-IAGOWNOFSA-N 1 1 284.403 2.686 50 0 CFAAMO CC[C@@H](NC(=O)C[N@@H+](C)C1CCCC1)c1ccc(C)cn1 ZINC000299782906 382046355 /nfs/dbraw/zinc/04/63/55/382046355.db2.gz YTCYNGNQBHPKGI-OAHLLOKOSA-N 1 1 289.423 2.832 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCOC1CCCC1 ZINC000352628124 382423884 /nfs/dbraw/zinc/42/38/84/382423884.db2.gz JEVSOFAKCVOXGE-OAHLLOKOSA-N 1 1 296.455 2.716 50 0 CFAAMO CC(C)/C=C/CN1CC[N@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000039364674 184546629 /nfs/dbraw/zinc/54/66/29/184546629.db2.gz IWYUHDKQUSGBIA-IPLHWJFFSA-N 1 1 294.483 2.900 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CSc3ccccc3)C2)C(=O)O1 ZINC000195531530 382769339 /nfs/dbraw/zinc/76/93/39/382769339.db2.gz OKRJPCYAESQDOJ-UMVBOHGHSA-N 1 1 291.416 2.805 50 0 CFAAMO CCc1nccc(C[N@@H+](C)CC[C@H](O)c2ccccc2)n1 ZINC000215072863 382777368 /nfs/dbraw/zinc/77/73/68/382777368.db2.gz GMDPVEGQLOMJCI-INIZCTEOSA-N 1 1 285.391 2.595 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CN2CC(Oc3ccccc3F)C2)C1 ZINC000215363877 382778340 /nfs/dbraw/zinc/77/83/40/382778340.db2.gz FLMJWJKXXCIOPE-CQSZACIVSA-N 1 1 292.398 2.621 50 0 CFAAMO Clc1cccc2c1CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000215441392 382778903 /nfs/dbraw/zinc/77/89/03/382778903.db2.gz NUYVLMPJSPEGBX-NSHDSACASA-N 1 1 251.757 2.735 50 0 CFAAMO CN(C)c1ccc(C[N@H+](Cc2ccncc2)C2CC2)cn1 ZINC000215474938 382779004 /nfs/dbraw/zinc/77/90/04/382779004.db2.gz UTXDSWSWKGOYCY-UHFFFAOYSA-N 1 1 282.391 2.707 50 0 CFAAMO CN(C)c1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cn1 ZINC000215474938 382779005 /nfs/dbraw/zinc/77/90/05/382779005.db2.gz UTXDSWSWKGOYCY-UHFFFAOYSA-N 1 1 282.391 2.707 50 0 CFAAMO COc1c(F)cccc1CN(C)C[C@@H]1CCCC[N@H+]1C ZINC000215457054 382779261 /nfs/dbraw/zinc/77/92/61/382779261.db2.gz VWENFDZAHXIHJJ-AWEZNQCLSA-N 1 1 280.387 2.750 50 0 CFAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000215574497 382779540 /nfs/dbraw/zinc/77/95/40/382779540.db2.gz KEJZDRHZSCKUCS-INIZCTEOSA-N 1 1 288.778 2.829 50 0 CFAAMO Cc1n[nH]c(C)c1C[N@H+](Cc1ccncc1)C1CC1 ZINC000215930678 382781334 /nfs/dbraw/zinc/78/13/34/382781334.db2.gz PTVQFUKZIYNFRM-UHFFFAOYSA-N 1 1 256.353 2.586 50 0 CFAAMO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000215930678 382781335 /nfs/dbraw/zinc/78/13/35/382781335.db2.gz PTVQFUKZIYNFRM-UHFFFAOYSA-N 1 1 256.353 2.586 50 0 CFAAMO COCC1([N@@H+](C)Cc2cc(Cl)cc(OC)c2OC)CC1 ZINC000216107732 382781839 /nfs/dbraw/zinc/78/18/39/382781839.db2.gz WMAIMDYNFDKEPT-UHFFFAOYSA-N 1 1 299.798 2.968 50 0 CFAAMO CCc1nn(C)c(Cl)c1C[N@@H+](C)C1CCSCC1 ZINC000216266829 382782563 /nfs/dbraw/zinc/78/25/63/382782563.db2.gz LXKALSDVFYWHEP-UHFFFAOYSA-N 1 1 287.860 2.963 50 0 CFAAMO CS[C@@H](C)CC[N@H+]1CCCN(Cc2ccccn2)CC1 ZINC000216438898 382783766 /nfs/dbraw/zinc/78/37/66/382783766.db2.gz STIDZYPIJXVWRJ-HNNXBMFYSA-N 1 1 293.480 2.731 50 0 CFAAMO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000216542392 382784140 /nfs/dbraw/zinc/78/41/40/382784140.db2.gz MCYUPYGTGVOLLU-OAHLLOKOSA-N 1 1 281.359 2.572 50 0 CFAAMO O=C(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000216542392 382784141 /nfs/dbraw/zinc/78/41/41/382784141.db2.gz MCYUPYGTGVOLLU-OAHLLOKOSA-N 1 1 281.359 2.572 50 0 CFAAMO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cscn1 ZINC000221045149 382797447 /nfs/dbraw/zinc/79/74/47/382797447.db2.gz BRBUDGQSPCZWOU-UHFFFAOYSA-N 1 1 285.413 2.536 50 0 CFAAMO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229203110 382850534 /nfs/dbraw/zinc/85/05/34/382850534.db2.gz LFDIQXNWYYONHD-HZPDHXFCSA-N 1 1 277.408 2.652 50 0 CFAAMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000225412768 382816038 /nfs/dbraw/zinc/81/60/38/382816038.db2.gz KZZJTMLMGYGYIT-HZPDHXFCSA-N 1 1 275.392 2.921 50 0 CFAAMO O=C(/C=C/c1ccccc1)NCCn1cc[nH+]c1C1CC1 ZINC000225566178 382818688 /nfs/dbraw/zinc/81/86/88/382818688.db2.gz RLLIKHPTQPATCC-RMKNXTFCSA-N 1 1 281.359 2.590 50 0 CFAAMO C[N@@H+](CCCCC1CCOCC1)C[C@@H]1CCCO1 ZINC000225628577 382819417 /nfs/dbraw/zinc/81/94/17/382819417.db2.gz YZKAELJQORIVHH-HNNXBMFYSA-N 1 1 255.402 2.694 50 0 CFAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000229385427 382851624 /nfs/dbraw/zinc/85/16/24/382851624.db2.gz VFIWHWWVHRJLBL-KBPBESRZSA-N 1 1 278.421 2.722 50 0 CFAAMO C[N@H+]1C[C@H](C(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000230104260 382855690 /nfs/dbraw/zinc/85/56/90/382855690.db2.gz ZJWWAGNNJPQPEN-ROUUACIJSA-N 1 1 294.398 2.648 50 0 CFAAMO COCc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000230126789 382856064 /nfs/dbraw/zinc/85/60/64/382856064.db2.gz BYCWYPMBQKYTDI-HZPDHXFCSA-N 1 1 293.432 2.539 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1cnc(Cl)s1 ZINC000240465847 382982789 /nfs/dbraw/zinc/98/27/89/382982789.db2.gz GASUSFSUFUOXLM-NWDGAFQWSA-N 1 1 285.844 2.855 50 0 CFAAMO CCS[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC)C[C@@H]2C)C1 ZINC000241588374 382983396 /nfs/dbraw/zinc/98/33/96/382983396.db2.gz PCPAWUNGKCLTJV-XQLPTFJDSA-N 1 1 270.486 2.981 50 0 CFAAMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCO)C1 ZINC000241515517 382983738 /nfs/dbraw/zinc/98/37/38/382983738.db2.gz OFYHBCULHPANFM-SJORKVTESA-N 1 1 282.472 2.735 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCO)C1 ZINC000241515517 382983741 /nfs/dbraw/zinc/98/37/41/382983741.db2.gz OFYHBCULHPANFM-SJORKVTESA-N 1 1 282.472 2.735 50 0 CFAAMO Cc1nnc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000244678427 382989711 /nfs/dbraw/zinc/98/97/11/382989711.db2.gz ICIQKCILISSCJH-UHFFFAOYSA-N 1 1 274.412 2.761 50 0 CFAAMO Cc1nnc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000244678427 382989714 /nfs/dbraw/zinc/98/97/14/382989714.db2.gz ICIQKCILISSCJH-UHFFFAOYSA-N 1 1 274.412 2.761 50 0 CFAAMO COc1c[nH]c(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1=O ZINC000244626593 382989873 /nfs/dbraw/zinc/98/98/73/382989873.db2.gz FOONKJGDMJOGKS-CQSZACIVSA-N 1 1 285.347 2.528 50 0 CFAAMO COc1c[nH]c(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1=O ZINC000244626593 382989876 /nfs/dbraw/zinc/98/98/76/382989876.db2.gz FOONKJGDMJOGKS-CQSZACIVSA-N 1 1 285.347 2.528 50 0 CFAAMO Cc1ccc(C)c(N2CCN(C[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000244716201 382991238 /nfs/dbraw/zinc/99/12/38/382991238.db2.gz LKNLZYIKBYSRRM-QGZVFWFLSA-N 1 1 287.451 2.520 50 0 CFAAMO COCCn1cncc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000244707786 382991976 /nfs/dbraw/zinc/99/19/76/382991976.db2.gz KHNODJBQSFMWAB-LBPRGKRZSA-N 1 1 279.409 2.784 50 0 CFAAMO COCCn1cncc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000244707786 382991980 /nfs/dbraw/zinc/99/19/80/382991980.db2.gz KHNODJBQSFMWAB-LBPRGKRZSA-N 1 1 279.409 2.784 50 0 CFAAMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCCC[C@H]1C ZINC000246056081 383060305 /nfs/dbraw/zinc/06/03/05/383060305.db2.gz DDAZDALYJHJOLG-MGPQQGTHSA-N 1 1 252.402 2.650 50 0 CFAAMO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247031228 383134542 /nfs/dbraw/zinc/13/45/42/383134542.db2.gz PHNYQWNEOKGUDD-FHLIZLRMSA-N 1 1 298.430 2.699 50 0 CFAAMO Fc1cccc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000585116172 383115198 /nfs/dbraw/zinc/11/51/98/383115198.db2.gz JQMWZGLGKQYROF-OAHLLOKOSA-N 1 1 274.343 2.644 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000248146563 383214278 /nfs/dbraw/zinc/21/42/78/383214278.db2.gz SBPSTKIOKIZLLH-IAGOWNOFSA-N 1 1 297.402 2.867 50 0 CFAAMO O=C(C[N@@H+]1CC[C@H]2C=CC=C[C@H]2C1)c1ccccc1O ZINC000248071329 383210691 /nfs/dbraw/zinc/21/06/91/383210691.db2.gz YAGRCKDQFZYECD-KGLIPLIRSA-N 1 1 269.344 2.639 50 0 CFAAMO O=C(C[N@H+]1CC[C@H]2C=CC=C[C@H]2C1)c1ccccc1O ZINC000248071329 383210697 /nfs/dbraw/zinc/21/06/97/383210697.db2.gz YAGRCKDQFZYECD-KGLIPLIRSA-N 1 1 269.344 2.639 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCc2ccccc21 ZINC000248116707 383211849 /nfs/dbraw/zinc/21/18/49/383211849.db2.gz IWAAEBDXSPBRLY-RCCFBDPRSA-N 1 1 298.430 2.802 50 0 CFAAMO CC(C)=CCN1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000248238009 383220438 /nfs/dbraw/zinc/22/04/38/383220438.db2.gz CXGMBLZHGUTSOL-SJLPKXTDSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@@H+]1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000248238009 383220445 /nfs/dbraw/zinc/22/04/45/383220445.db2.gz CXGMBLZHGUTSOL-SJLPKXTDSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@H+]1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000248238009 383220451 /nfs/dbraw/zinc/22/04/51/383220451.db2.gz CXGMBLZHGUTSOL-SJLPKXTDSA-N 1 1 288.435 2.692 50 0 CFAAMO Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000252505351 383415123 /nfs/dbraw/zinc/41/51/23/383415123.db2.gz LJCQJMNXAZJMSS-XIRDDKMYSA-N 1 1 299.418 2.943 50 0 CFAAMO O=C1c2ccccc2C(=O)N1C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004731333 285020946 /nfs/dbraw/zinc/02/09/46/285020946.db2.gz IJHKXSCEURLJGJ-CZUORRHYSA-N 1 1 298.386 2.547 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCc2ccsc2)C1 ZINC000426724066 383410114 /nfs/dbraw/zinc/41/01/14/383410114.db2.gz YHDCJBSDTCECIU-GFCCVEGCSA-N 1 1 293.436 2.516 50 0 CFAAMO c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CCOCO2)cc1 ZINC000252475154 383410299 /nfs/dbraw/zinc/41/02/99/383410299.db2.gz UXZHACMCGCOXEI-DLBZAZTESA-N 1 1 275.392 2.847 50 0 CFAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000252481391 383411350 /nfs/dbraw/zinc/41/13/50/383411350.db2.gz CKJNBFHVKVYIDL-IEBWSBKVSA-N 1 1 297.398 2.903 50 0 CFAAMO CNc1nc(C[N@@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)cs1 ZINC000252490538 383412722 /nfs/dbraw/zinc/41/27/22/383412722.db2.gz KWSULNDLVHGYCV-NEPJUHHUSA-N 1 1 263.410 2.973 50 0 CFAAMO COc1cccc(C2=CCN(Cc3cnc[nH]3)CC2)c1 ZINC000253417515 383457637 /nfs/dbraw/zinc/45/76/37/383457637.db2.gz LPDIEXCFCIBEGD-UHFFFAOYSA-N 1 1 269.348 2.708 50 0 CFAAMO COc1cccc(C2=CC[N@H+](Cc3c[nH]cn3)CC2)c1 ZINC000253417515 383457643 /nfs/dbraw/zinc/45/76/43/383457643.db2.gz LPDIEXCFCIBEGD-UHFFFAOYSA-N 1 1 269.348 2.708 50 0 CFAAMO COc1cccc(C2=CC[N@@H+](Cc3c[nH]cn3)CC2)c1 ZINC000253417515 383457650 /nfs/dbraw/zinc/45/76/50/383457650.db2.gz LPDIEXCFCIBEGD-UHFFFAOYSA-N 1 1 269.348 2.708 50 0 CFAAMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000253432414 383459631 /nfs/dbraw/zinc/45/96/31/383459631.db2.gz YYMZOAOKBYQABS-KOZAUXTDSA-N 1 1 272.392 2.549 50 0 CFAAMO CO[C@H](C[N@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000252572433 383419301 /nfs/dbraw/zinc/41/93/01/383419301.db2.gz ZHZBSMOHGWAUKG-QZTJIDSGSA-N 1 1 298.386 2.922 50 0 CFAAMO C[C@H](C[N@@H+]1CC[S@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000252584965 383419692 /nfs/dbraw/zinc/41/96/92/383419692.db2.gz FCZPJWVBKKNFNG-BLVKFPJESA-N 1 1 283.412 2.772 50 0 CFAAMO C[C@H](C[N@H+]1CC[S@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000252584965 383419697 /nfs/dbraw/zinc/41/96/97/383419697.db2.gz FCZPJWVBKKNFNG-BLVKFPJESA-N 1 1 283.412 2.772 50 0 CFAAMO CC(=O)NCCc1[nH+]cc(C)n1C1CCCCCC1 ZINC000257178381 383490046 /nfs/dbraw/zinc/49/00/46/383490046.db2.gz BSWQEIBJCWJITQ-UHFFFAOYSA-N 1 1 263.385 2.765 50 0 CFAAMO Cc1cc(C)cc([C@H](O)CNC2CC[NH+](C(C)C)CC2)c1 ZINC000282525069 385334718 /nfs/dbraw/zinc/33/47/18/385334718.db2.gz UXQQIOUQCOCCFI-GOSISDBHSA-N 1 1 290.451 2.799 50 0 CFAAMO Cc1cc(C)cc([C@H](O)C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000282525069 385334724 /nfs/dbraw/zinc/33/47/24/385334724.db2.gz UXQQIOUQCOCCFI-GOSISDBHSA-N 1 1 290.451 2.799 50 0 CFAAMO CN(Cc1ccn(C)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000271096407 385335516 /nfs/dbraw/zinc/33/55/16/385335516.db2.gz LRQMYXFXTVWKLP-GOSISDBHSA-N 1 1 298.434 2.517 50 0 CFAAMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)nn1 ZINC000283119009 385438528 /nfs/dbraw/zinc/43/85/28/385438528.db2.gz MVGHVJOVPILRLO-OAHLLOKOSA-N 1 1 286.379 2.551 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)nn1 ZINC000283119009 385438532 /nfs/dbraw/zinc/43/85/32/385438532.db2.gz MVGHVJOVPILRLO-OAHLLOKOSA-N 1 1 286.379 2.551 50 0 CFAAMO c1ccc(SCC[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000096410321 256790594 /nfs/dbraw/zinc/79/05/94/256790594.db2.gz XGBCLKIRBGUILM-CQSZACIVSA-N 1 1 293.432 2.864 50 0 CFAAMO CNc1nc(NCC[C@H]2CCCC[N@H+]2C(C)C)ncc1F ZINC000824090529 781985816 /nfs/dbraw/zinc/98/58/16/781985816.db2.gz LIJSHBQGRRHROR-GFCCVEGCSA-N 1 1 295.406 2.722 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N(C)Cc1ccoc1 ZINC000095387156 184962250 /nfs/dbraw/zinc/96/22/50/184962250.db2.gz RPBKMBIBAPEONH-GFCCVEGCSA-N 1 1 275.352 2.819 50 0 CFAAMO C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccn(C)n1 ZINC000414059650 533417885 /nfs/dbraw/zinc/41/78/85/533417885.db2.gz WWEJDVMKUUWDTK-HIFRSBDPSA-N 1 1 288.395 2.501 50 0 CFAAMO C[C@@H]1CCc2c(C(=O)N3CCC[N@@H+](C)CC3)csc2C1 ZINC000020501109 393486563 /nfs/dbraw/zinc/48/65/63/393486563.db2.gz AYSPUXGIUCPVAY-GFCCVEGCSA-N 1 1 292.448 2.651 50 0 CFAAMO C/C=C/C=C/C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036398067 393525983 /nfs/dbraw/zinc/52/59/83/393525983.db2.gz JIGWMEBXATXHDS-VYISXOKISA-N 1 1 270.376 2.509 50 0 CFAAMO Brc1ccccc1[C@@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894818 393622095 /nfs/dbraw/zinc/62/20/95/393622095.db2.gz OAKZIGUQGQZGLK-ZDUSSCGKSA-N 1 1 281.197 2.558 50 0 CFAAMO CC(C)c1nn(C)c(Cl)c1C[NH2+]CC(C)(C)N(C)C ZINC000069645330 393636540 /nfs/dbraw/zinc/63/65/40/393636540.db2.gz CGEAAYSDFHZVTG-UHFFFAOYSA-N 1 1 286.851 2.627 50 0 CFAAMO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000069417829 393636795 /nfs/dbraw/zinc/63/67/95/393636795.db2.gz PAYXOQCNESJZGV-ZFWWWQNUSA-N 1 1 290.407 2.560 50 0 CFAAMO CCn1cc(C[N@H+]2CCCN(c3ccccc3C)CC2)cn1 ZINC000072168763 393641988 /nfs/dbraw/zinc/64/19/88/393641988.db2.gz LMKNCYQYBINTEI-UHFFFAOYSA-N 1 1 298.434 2.924 50 0 CFAAMO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000072289017 393650057 /nfs/dbraw/zinc/65/00/57/393650057.db2.gz BTNIYVUXEIFSGC-KFWWJZLASA-N 1 1 295.471 2.985 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193997136 393670620 /nfs/dbraw/zinc/67/06/20/393670620.db2.gz MOSCUTPKIPENCG-OAHLLOKOSA-N 1 1 285.391 2.977 50 0 CFAAMO Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000193997136 393670623 /nfs/dbraw/zinc/67/06/23/393670623.db2.gz MOSCUTPKIPENCG-OAHLLOKOSA-N 1 1 285.391 2.977 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000193997136 393670626 /nfs/dbraw/zinc/67/06/26/393670626.db2.gz MOSCUTPKIPENCG-OAHLLOKOSA-N 1 1 285.391 2.977 50 0 CFAAMO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@@H](C)[N@@H+](C)C[C@H]2C ZINC000245232371 393799750 /nfs/dbraw/zinc/79/97/50/393799750.db2.gz URLGZASRDBGECB-JDOCFBBISA-N 1 1 289.379 2.515 50 0 CFAAMO CCC(=O)N1N=C2[C@@H]([C@H]1c1ccco1)[C@@H](C)[N@@H+](C)C[C@H]2C ZINC000245232373 393799779 /nfs/dbraw/zinc/79/97/79/393799779.db2.gz URLGZASRDBGECB-TWINXVHLSA-N 1 1 289.379 2.515 50 0 CFAAMO Cc1ccccc1[C@@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000095509484 393812698 /nfs/dbraw/zinc/81/26/98/393812698.db2.gz LECFTGQOJNXTBV-CYBMUJFWSA-N 1 1 268.364 2.751 50 0 CFAAMO NC(=O)CC[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000096410323 393824037 /nfs/dbraw/zinc/82/40/37/393824037.db2.gz LEOBCSSXBSUDQX-CQSZACIVSA-N 1 1 292.448 2.756 50 0 CFAAMO CCC[N@H+](Cc1nnc(C)o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000096419653 393826995 /nfs/dbraw/zinc/82/69/95/393826995.db2.gz RMAFSFASDYYPIG-STQMWFEESA-N 1 1 281.400 2.794 50 0 CFAAMO CCC[N@@H+](Cc1nnc(C)o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000096419653 393826999 /nfs/dbraw/zinc/82/69/99/393826999.db2.gz RMAFSFASDYYPIG-STQMWFEESA-N 1 1 281.400 2.794 50 0 CFAAMO CNC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000096424515 393829682 /nfs/dbraw/zinc/82/96/82/393829682.db2.gz GUBWTQFUSACUDL-OAHLLOKOSA-N 1 1 260.381 2.576 50 0 CFAAMO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000249098795 393920605 /nfs/dbraw/zinc/92/06/05/393920605.db2.gz OZHFYBVNJNQYPR-BPUTZDHNSA-N 1 1 297.464 2.630 50 0 CFAAMO Fc1ccc(N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000000207263 134522357 /nfs/dbraw/zinc/52/23/57/134522357.db2.gz IBMAANLUZOCPMY-UHFFFAOYSA-N 1 1 260.312 2.741 50 0 CFAAMO CN(C[C@@H]1CCC[N@H+]1C)c1nccc2ccccc21 ZINC000528037652 394441459 /nfs/dbraw/zinc/44/14/59/394441459.db2.gz KLFQGCJMIRNQMQ-AWEZNQCLSA-N 1 1 255.365 2.765 50 0 CFAAMO C[C@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)c1nccn1C ZINC000647316697 395287086 /nfs/dbraw/zinc/28/70/86/395287086.db2.gz AWOGHJOGMIDAKO-VIFPVBQESA-N 1 1 295.289 2.592 50 0 CFAAMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC000044857390 397569595 /nfs/dbraw/zinc/56/95/95/397569595.db2.gz NZYOCLQFDHWBTQ-HNNXBMFYSA-N 1 1 287.403 2.817 50 0 CFAAMO CCn1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2SC)cn1 ZINC000108488513 397598514 /nfs/dbraw/zinc/59/85/14/397598514.db2.gz OBZYOCOVFBWAQX-CHWSQXEVSA-N 1 1 253.415 2.619 50 0 CFAAMO CCn1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2)c1 ZINC000252485544 397628365 /nfs/dbraw/zinc/62/83/65/397628365.db2.gz GYJKAOHPVLISTG-UHFFFAOYSA-N 1 1 289.354 2.718 50 0 CFAAMO CCn1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2)c1 ZINC000252485544 397628369 /nfs/dbraw/zinc/62/83/69/397628369.db2.gz GYJKAOHPVLISTG-UHFFFAOYSA-N 1 1 289.354 2.718 50 0 CFAAMO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000097165309 286206504 /nfs/dbraw/zinc/20/65/04/286206504.db2.gz MCKRJUYAQPOCRF-GXTWGEPZSA-N 1 1 263.385 2.655 50 0 CFAAMO Cc1nccn1C[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000825284210 782008853 /nfs/dbraw/zinc/00/88/53/782008853.db2.gz XLUNRAHMPICHPG-KRWDZBQOSA-N 1 1 299.418 2.983 50 0 CFAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCCCCC1 ZINC000057418549 287160403 /nfs/dbraw/zinc/16/04/03/287160403.db2.gz WXQAGOMSFFLCCC-LBPRGKRZSA-N 1 1 271.364 2.860 50 0 CFAAMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004743825 170009658 /nfs/dbraw/zinc/00/96/58/170009658.db2.gz XTSGSHNPNOHSJD-CYBMUJFWSA-N 1 1 276.380 2.756 50 0 CFAAMO C[N@@H+](CCOC(=O)c1ccccc1)Cc1ccccc1 ZINC000004755703 170012864 /nfs/dbraw/zinc/01/28/64/170012864.db2.gz LNFCVVWJVGIGMB-UHFFFAOYSA-N 1 1 269.344 2.975 50 0 CFAAMO COc1cc(C)c(C[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000004838187 170026947 /nfs/dbraw/zinc/02/69/47/170026947.db2.gz QMJLBLRTFUFKJP-UHFFFAOYSA-N 1 1 276.424 2.838 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000006008107 170168048 /nfs/dbraw/zinc/16/80/48/170168048.db2.gz DZTFRAZLIMYVBL-STQMWFEESA-N 1 1 288.391 2.806 50 0 CFAAMO CCCCOc1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000006699605 170228584 /nfs/dbraw/zinc/22/85/84/170228584.db2.gz GQVATANSQFAQPV-UHFFFAOYSA-N 1 1 290.407 2.643 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccccc2C=O)C1 ZINC000006701091 170229421 /nfs/dbraw/zinc/22/94/21/170229421.db2.gz ZTEAACLPCHETDX-OKILXGFUSA-N 1 1 261.365 2.856 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000007016218 170262465 /nfs/dbraw/zinc/26/24/65/170262465.db2.gz KXDGCQBVVILKGW-JSGCOSHPSA-N 1 1 283.799 2.954 50 0 CFAAMO Cc1cc(NC(=O)C[NH+]2CCCC2)n(-c2ccc(C)cc2)n1 ZINC000007340204 170277746 /nfs/dbraw/zinc/27/77/46/170277746.db2.gz BFMDGBCIQLJMKP-UHFFFAOYSA-N 1 1 298.390 2.523 50 0 CFAAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000007380714 170281026 /nfs/dbraw/zinc/28/10/26/170281026.db2.gz CVYXKCXVVRPKRK-ZDUSSCGKSA-N 1 1 260.381 2.566 50 0 CFAAMO COc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000007486590 170287218 /nfs/dbraw/zinc/28/72/18/170287218.db2.gz OSHBYXRBAYKSCF-GFCCVEGCSA-N 1 1 262.353 2.508 50 0 CFAAMO COc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000007486590 170287219 /nfs/dbraw/zinc/28/72/19/170287219.db2.gz OSHBYXRBAYKSCF-GFCCVEGCSA-N 1 1 262.353 2.508 50 0 CFAAMO C[N@H+]1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000007526345 170288856 /nfs/dbraw/zinc/28/88/56/170288856.db2.gz RSFJYZMHFCFEQI-UHFFFAOYSA-N 1 1 283.828 2.674 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000007525335 170289008 /nfs/dbraw/zinc/28/90/08/170289008.db2.gz DTAZZEUVFFBNAW-CQSZACIVSA-N 1 1 299.418 2.701 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCCC1 ZINC000008142221 170321119 /nfs/dbraw/zinc/32/11/19/170321119.db2.gz LEGMRIRHIOHHNX-SNVBAGLBSA-N 1 1 252.745 2.763 50 0 CFAAMO Cc1[nH]c2ccccc2c(=O)c1C[N@H+](C)C1CCN(C)CC1 ZINC000008700912 170346848 /nfs/dbraw/zinc/34/68/48/170346848.db2.gz RROQIFFVZFLFDA-UHFFFAOYSA-N 1 1 299.418 2.775 50 0 CFAAMO Cc1[nH]c2ccccc2c(=O)c1CN(C)C1CC[NH+](C)CC1 ZINC000008700912 170346849 /nfs/dbraw/zinc/34/68/49/170346849.db2.gz RROQIFFVZFLFDA-UHFFFAOYSA-N 1 1 299.418 2.775 50 0 CFAAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000009500263 170379170 /nfs/dbraw/zinc/37/91/70/170379170.db2.gz IZAUWBRCLCXUJA-AWEZNQCLSA-N 1 1 293.370 2.888 50 0 CFAAMO Cc1ccc(NC(=O)C[NH+]2CCCC2)cc1Cl ZINC000009499644 170379343 /nfs/dbraw/zinc/37/93/43/170379343.db2.gz ZAOCAIXEWGRRKK-UHFFFAOYSA-N 1 1 252.745 2.683 50 0 CFAAMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000012936508 170521844 /nfs/dbraw/zinc/52/18/44/170521844.db2.gz MKZDYEBYAOSKTK-LLVKDONJSA-N 1 1 286.400 2.966 50 0 CFAAMO COc1cccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000013771832 170591749 /nfs/dbraw/zinc/59/17/49/170591749.db2.gz UGOAGCAVPCSLHF-QLFBSQMISA-N 1 1 293.407 2.698 50 0 CFAAMO CSc1ccc(CNCC[NH+]2CCCC2)cc1 ZINC000020127046 171012457 /nfs/dbraw/zinc/01/24/57/171012457.db2.gz VORCIOIOJHSXFB-UHFFFAOYSA-N 1 1 250.411 2.594 50 0 CFAAMO Cc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020174547 171041551 /nfs/dbraw/zinc/04/15/51/171041551.db2.gz WWJOHCAHVOHDDP-UHFFFAOYSA-N 1 1 294.398 2.953 50 0 CFAAMO COc1ccccc1CCC[N@@H+](C)Cc1cc(C)n[nH]1 ZINC000020210894 171073691 /nfs/dbraw/zinc/07/36/91/171073691.db2.gz MRGDYSVLMLNFGK-UHFFFAOYSA-N 1 1 273.380 2.791 50 0 CFAAMO Cc1cccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000020271461 171126166 /nfs/dbraw/zinc/12/61/66/171126166.db2.gz CMYPGNJEDGFJDQ-SFHVURJKSA-N 1 1 290.451 2.520 50 0 CFAAMO Cc1ccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)s1 ZINC000020293785 171134135 /nfs/dbraw/zinc/13/41/35/171134135.db2.gz ZEMAHOYXOAHHGN-HNNXBMFYSA-N 1 1 296.480 2.581 50 0 CFAAMO CCN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000020322955 171150328 /nfs/dbraw/zinc/15/03/28/171150328.db2.gz NWPMWBFDPSIQKB-UHFFFAOYSA-N 1 1 284.403 2.856 50 0 CFAAMO Cc1noc2ncnc(NCCC[N@@H+]3CCCC[C@H]3C)c12 ZINC000020575199 171256112 /nfs/dbraw/zinc/25/61/12/171256112.db2.gz BWGWQKIHMARRLH-LLVKDONJSA-N 1 1 289.383 2.603 50 0 CFAAMO CC[C@H](C)Oc1ccccc1OCCC[NH+]1CCOCC1 ZINC000020652515 171268785 /nfs/dbraw/zinc/26/87/85/171268785.db2.gz XHRGCGSQTHWDSK-HNNXBMFYSA-N 1 1 293.407 2.965 50 0 CFAAMO O[C@H]1CC[N@@H+](CCc2ccc(-c3ccccc3)cc2)C1 ZINC000020706811 171269993 /nfs/dbraw/zinc/26/99/93/171269993.db2.gz XPGWZJHRLUGYAO-SFHVURJKSA-N 1 1 267.372 2.963 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OC)c(Cl)c1 ZINC000020967728 171281937 /nfs/dbraw/zinc/28/19/37/171281937.db2.gz GLXBPFWFECATSO-ZDUSSCGKSA-N 1 1 282.815 2.923 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OC)c(Cl)c1 ZINC000020967728 171281938 /nfs/dbraw/zinc/28/19/38/171281938.db2.gz GLXBPFWFECATSO-ZDUSSCGKSA-N 1 1 282.815 2.923 50 0 CFAAMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)cc1)C1CCOCC1 ZINC000020998653 171283990 /nfs/dbraw/zinc/28/39/90/171283990.db2.gz LZKCUBGGLMHYSZ-UHFFFAOYSA-N 1 1 271.364 2.688 50 0 CFAAMO C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022780988 171398750 /nfs/dbraw/zinc/39/87/50/171398750.db2.gz DVMGOHMYQSICJI-UHFFFAOYSA-N 1 1 273.405 2.558 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000023281868 171418862 /nfs/dbraw/zinc/41/88/62/171418862.db2.gz FCOMFRNUTWRVLE-AWEZNQCLSA-N 1 1 298.386 2.546 50 0 CFAAMO OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1O ZINC000034785135 171867312 /nfs/dbraw/zinc/86/73/12/171867312.db2.gz JPLSIBRFAFEEDC-NVXWUHKLSA-N 1 1 283.371 2.600 50 0 CFAAMO OCC1([N@@H+](Cc2cnc3ccccc3n2)C2CC2)CCC1 ZINC000660773116 413556380 /nfs/dbraw/zinc/55/63/80/413556380.db2.gz ZFSTXCRDRXDVBF-UHFFFAOYSA-N 1 1 283.375 2.509 50 0 CFAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000035358095 172148624 /nfs/dbraw/zinc/14/86/24/172148624.db2.gz NPFMVLLMEBJEBL-XHSDSOJGSA-N 1 1 277.408 2.998 50 0 CFAAMO COc1ccc(-c2noc([C@H]([NH3+])C(C)(C)C)n2)cc1 ZINC000035660408 172337334 /nfs/dbraw/zinc/33/73/34/172337334.db2.gz VZSPNWBEFPHKET-NSHDSACASA-N 1 1 261.325 2.791 50 0 CFAAMO N[C@@H](Cc1c[nH]c2ccccc12)C[NH+]1CCCCC1 ZINC000039794768 174173058 /nfs/dbraw/zinc/17/30/58/174173058.db2.gz VYPFKWHOHHGMEE-AWEZNQCLSA-N 1 1 257.381 2.524 50 0 CFAAMO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000040050476 174185198 /nfs/dbraw/zinc/18/51/98/174185198.db2.gz HZINDFKNDSIVSL-CYBMUJFWSA-N 1 1 260.381 2.972 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccccc1F)C1CCCC1 ZINC000040477308 174282926 /nfs/dbraw/zinc/28/29/26/174282926.db2.gz HLGOXPYFEHOJOJ-UHFFFAOYSA-N 1 1 250.317 2.639 50 0 CFAAMO CC(C)Oc1ccc(CNCC[NH+](C)C)cc1Cl ZINC000040719698 174385478 /nfs/dbraw/zinc/38/54/78/174385478.db2.gz VGOAOGUHHSFYHU-UHFFFAOYSA-N 1 1 270.804 2.778 50 0 CFAAMO Nc1[nH]c2ccc(C(=O)c3ccc(F)cc3)cc2[nH+]1 ZINC000043465288 175052562 /nfs/dbraw/zinc/05/25/62/175052562.db2.gz WINHLTQNRABBSW-UHFFFAOYSA-N 1 1 255.252 2.515 50 0 CFAAMO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1C(F)(F)F ZINC000044270545 175158243 /nfs/dbraw/zinc/15/82/43/175158243.db2.gz ZGLWYCPHLBGFII-SNVBAGLBSA-N 1 1 290.310 2.615 50 0 CFAAMO Cc1csc2nc(C[N@@H+]3[C@H](C)CCC[C@@H]3C)cc(=O)n12 ZINC000065479384 175741781 /nfs/dbraw/zinc/74/17/81/175741781.db2.gz SUPKGANDADDWPD-PHIMTYICSA-N 1 1 291.420 2.827 50 0 CFAAMO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701407 175848517 /nfs/dbraw/zinc/84/85/17/175848517.db2.gz HKLWRDKEQSPEPS-HOCLYGCPSA-N 1 1 274.408 2.781 50 0 CFAAMO CC[NH+]1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000071375730 176140387 /nfs/dbraw/zinc/14/03/87/176140387.db2.gz AYGYDMPFRKYFGP-UHFFFAOYSA-N 1 1 286.419 2.663 50 0 CFAAMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000071797143 176264879 /nfs/dbraw/zinc/26/48/79/176264879.db2.gz QJVVNAHKVQBNAE-CYBMUJFWSA-N 1 1 262.382 2.522 50 0 CFAAMO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000071797143 176264881 /nfs/dbraw/zinc/26/48/81/176264881.db2.gz QJVVNAHKVQBNAE-CYBMUJFWSA-N 1 1 262.382 2.522 50 0 CFAAMO c1ccc([C@H]2C[N@H+](CCc3ccncc3)CCO2)cc1 ZINC000071804921 176267237 /nfs/dbraw/zinc/26/72/37/176267237.db2.gz LCQXLHHNVVSKDD-QGZVFWFLSA-N 1 1 268.360 2.698 50 0 CFAAMO c1ccc([C@H]2C[N@@H+](CCc3ccncc3)CCO2)cc1 ZINC000071804921 176267238 /nfs/dbraw/zinc/26/72/38/176267238.db2.gz LCQXLHHNVVSKDD-QGZVFWFLSA-N 1 1 268.360 2.698 50 0 CFAAMO CC(C)[N@@H+]1CC[C@@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000071820824 176270455 /nfs/dbraw/zinc/27/04/55/176270455.db2.gz FTQLWOLODNIXHL-HNNXBMFYSA-N 1 1 298.434 2.897 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000071820824 176270457 /nfs/dbraw/zinc/27/04/57/176270457.db2.gz FTQLWOLODNIXHL-HNNXBMFYSA-N 1 1 298.434 2.897 50 0 CFAAMO CSCC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000071870841 176283579 /nfs/dbraw/zinc/28/35/79/176283579.db2.gz LVSFMIBRHLSORY-GFCCVEGCSA-N 1 1 281.425 2.533 50 0 CFAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@@H](C)c2cccnc2)c1 ZINC000071875933 176285708 /nfs/dbraw/zinc/28/57/08/176285708.db2.gz BUSJYNTVXAYMST-GOEBONIOSA-N 1 1 270.380 2.812 50 0 CFAAMO CCS[C@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC000071899661 176293488 /nfs/dbraw/zinc/29/34/88/176293488.db2.gz RRJZJEGVYAVJIH-LBPRGKRZSA-N 1 1 253.415 2.528 50 0 CFAAMO Cc1[nH+]cn(Cc2ccc(-n3ccnc3)cc2)c1C ZINC000071904325 176295062 /nfs/dbraw/zinc/29/50/62/176295062.db2.gz VYQXIUNVGWCOFT-UHFFFAOYSA-N 1 1 252.321 2.734 50 0 CFAAMO Cc1nnc(C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)o1 ZINC000071904658 176295526 /nfs/dbraw/zinc/29/55/26/176295526.db2.gz FNDSBJJHTSFBNP-HNNXBMFYSA-N 1 1 271.364 2.894 50 0 CFAAMO CN(Cc1ccncc1)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000072127412 176320969 /nfs/dbraw/zinc/32/09/69/176320969.db2.gz DNNIDYUUZSBACY-GOSISDBHSA-N 1 1 281.403 2.570 50 0 CFAAMO CN1Cc2ccccc2C[C@@H]1C[N@H+](C)Cc1ccncc1 ZINC000072127412 176320970 /nfs/dbraw/zinc/32/09/70/176320970.db2.gz DNNIDYUUZSBACY-GOSISDBHSA-N 1 1 281.403 2.570 50 0 CFAAMO CN1Cc2ccccc2C[C@@H]1C[N@@H+](C)Cc1ccncc1 ZINC000072127412 176320972 /nfs/dbraw/zinc/32/09/72/176320972.db2.gz DNNIDYUUZSBACY-GOSISDBHSA-N 1 1 281.403 2.570 50 0 CFAAMO Cc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)o1 ZINC000072140175 176323640 /nfs/dbraw/zinc/32/36/40/176323640.db2.gz AMDNLMQJAWOJJE-UHFFFAOYSA-N 1 1 285.391 2.691 50 0 CFAAMO Cc1ccc(CN2CCC[N@H+](Cc3ccncc3)CC2)o1 ZINC000072140175 176323641 /nfs/dbraw/zinc/32/36/41/176323641.db2.gz AMDNLMQJAWOJJE-UHFFFAOYSA-N 1 1 285.391 2.691 50 0 CFAAMO Cc1ccc(CN2CCC[N@@H+](Cc3ccncc3)CC2)o1 ZINC000072140175 176323643 /nfs/dbraw/zinc/32/36/43/176323643.db2.gz AMDNLMQJAWOJJE-UHFFFAOYSA-N 1 1 285.391 2.691 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000076409191 177020001 /nfs/dbraw/zinc/02/00/01/177020001.db2.gz LTXRVSUEOPQQGI-HNNXBMFYSA-N 1 1 291.391 2.849 50 0 CFAAMO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000077319242 177251878 /nfs/dbraw/zinc/25/18/78/177251878.db2.gz DIEQHCMZDRIAPJ-CYBMUJFWSA-N 1 1 289.404 2.577 50 0 CFAAMO CCC[N@H+]1CCCN(c2cccc(F)c2C(C)=O)CC1 ZINC000078251329 177328338 /nfs/dbraw/zinc/32/83/38/177328338.db2.gz RVRIJMSVFGFERL-UHFFFAOYSA-N 1 1 278.371 2.950 50 0 CFAAMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC(C)(C)O ZINC000078489575 177346061 /nfs/dbraw/zinc/34/60/61/177346061.db2.gz VSMSGDHGZOKTAZ-UHFFFAOYSA-N 1 1 261.287 2.908 50 0 CFAAMO Cc1ccc(NCc2c[nH]nc2-c2cccnc2)[nH+]c1 ZINC000078648325 177366039 /nfs/dbraw/zinc/36/60/39/177366039.db2.gz SIHLKXBOGHBGIV-UHFFFAOYSA-N 1 1 265.320 2.787 50 0 CFAAMO Cc1[nH+]cn(CCNC(=O)c2cc(F)cc(Cl)c2)c1C ZINC000826555032 782024123 /nfs/dbraw/zinc/02/41/23/782024123.db2.gz IGIJSWYVFVZYFD-UHFFFAOYSA-N 1 1 295.745 2.722 50 0 CFAAMO C[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)CC1CC1 ZINC000048236138 420503862 /nfs/dbraw/zinc/50/38/62/420503862.db2.gz CCVZQVCHGFTBLZ-UHFFFAOYSA-N 1 1 291.326 2.630 50 0 CFAAMO C[N@H+](Cc1nc(COc2ccc(F)cc2)no1)CC1CC1 ZINC000048236138 420503866 /nfs/dbraw/zinc/50/38/66/420503866.db2.gz CCVZQVCHGFTBLZ-UHFFFAOYSA-N 1 1 291.326 2.630 50 0 CFAAMO O=C(c1ccnc2ccccc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195085376 270249942 /nfs/dbraw/zinc/24/99/42/270249942.db2.gz VDYMYOHNTOKGHV-CQSZACIVSA-N 1 1 295.386 2.545 50 0 CFAAMO CC[NH+](CC)C[C@@H](C)NCc1nc2ccc(C)cc2[nH]1 ZINC000067871635 276104912 /nfs/dbraw/zinc/10/49/12/276104912.db2.gz JHPSYOLRMPCJHF-CYBMUJFWSA-N 1 1 274.412 2.691 50 0 CFAAMO CCC[C@H](C[N@H+](C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000096492744 276284623 /nfs/dbraw/zinc/28/46/23/276284623.db2.gz OAGMJIYLKKHOOL-HZPDHXFCSA-N 1 1 295.448 2.689 50 0 CFAAMO CCC[C@H](C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000096492744 276284626 /nfs/dbraw/zinc/28/46/26/276284626.db2.gz OAGMJIYLKKHOOL-HZPDHXFCSA-N 1 1 295.448 2.689 50 0 CFAAMO CCOC(=O)[C@@H]1C[C@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000004343448 276289379 /nfs/dbraw/zinc/28/93/79/276289379.db2.gz XJCLMIPLNVXPDG-RBSFLKMASA-N 1 1 259.349 2.775 50 0 biogenic,in-vitro CFAAMO CCn1cnnc1C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000195553481 276720648 /nfs/dbraw/zinc/72/06/48/276720648.db2.gz LCRYYLWUFUOCDB-LRDDRELGSA-N 1 1 270.380 2.630 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000230164069 277152184 /nfs/dbraw/zinc/15/21/84/277152184.db2.gz MOINEFTZFLKOLB-ARFHVFGLSA-N 1 1 280.456 2.797 50 0 CFAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000000536178 277187370 /nfs/dbraw/zinc/18/73/70/277187370.db2.gz RXCBUEUYEMUWAK-LBPRGKRZSA-N 1 1 289.360 2.758 50 0 CFAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000000536178 277187372 /nfs/dbraw/zinc/18/73/72/277187372.db2.gz RXCBUEUYEMUWAK-LBPRGKRZSA-N 1 1 289.360 2.758 50 0 CFAAMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(C(N)=O)s1 ZINC000023430056 277399428 /nfs/dbraw/zinc/39/94/28/277399428.db2.gz QKEOVADXGITEAC-JTQLQIEISA-N 1 1 252.383 2.640 50 0 CFAAMO COc1ccc2c(c1)CN(c1cc(C)[nH+]c(C)n1)CC2 ZINC000071824458 277958620 /nfs/dbraw/zinc/95/86/20/277958620.db2.gz ARWJYHZTNOGFIO-UHFFFAOYSA-N 1 1 269.348 2.665 50 0 CFAAMO CS[C@H]1CCC[C@H]1[NH2+]C1CCN(CC(C)C)CC1 ZINC000095968627 278162338 /nfs/dbraw/zinc/16/23/38/278162338.db2.gz CNTSAFSVTBXPHM-CABCVRRESA-N 1 1 270.486 2.981 50 0 CFAAMO C[C@@H](C(=O)N(C)C)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000369961359 278183216 /nfs/dbraw/zinc/18/32/16/278183216.db2.gz KOVUKBFSDPFCMG-NSHDSACASA-N 1 1 296.361 2.621 50 0 CFAAMO CC(C)(C)C[C@@H]1CCCN1c1cc[nH+]cc1C(N)=O ZINC000095941115 278334348 /nfs/dbraw/zinc/33/43/48/278334348.db2.gz JUHRTUJAEWYEPX-NSHDSACASA-N 1 1 261.369 2.586 50 0 CFAAMO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)[C@H]1CCCO1 ZINC000096491741 288035123 /nfs/dbraw/zinc/03/51/23/288035123.db2.gz LTOHEWCDCPPCSW-JKSUJKDBSA-N 1 1 268.445 2.654 50 0 CFAAMO CC[C@H]1C[N@@H+](C)CC[C@]1(OC(C)=O)c1ccccc1 ZINC000005008139 288280490 /nfs/dbraw/zinc/28/04/90/288280490.db2.gz LOWQPSFXEWFNSB-GOEBONIOSA-N 1 1 261.365 2.807 50 0 CFAAMO CN1CC[C@@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068575519 290127403 /nfs/dbraw/zinc/12/74/03/290127403.db2.gz IXNHRSPFKLGGAC-JQWIXIFHSA-N 1 1 258.287 2.657 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)c2cccn2C2CC2)CCCC1 ZINC000534592062 328318442 /nfs/dbraw/zinc/31/84/42/328318442.db2.gz AHRMYRWNMVGZTN-UHFFFAOYSA-N 1 1 289.423 2.817 50 0 CFAAMO CCN(Cc1ccc(C)o1)C(=O)NCC(C)(C)[N@@H+](C)CC ZINC000534646501 328329565 /nfs/dbraw/zinc/32/95/65/328329565.db2.gz KOUGJZXZPJLRDN-UHFFFAOYSA-N 1 1 295.427 2.850 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000177212936 323691127 /nfs/dbraw/zinc/69/11/27/323691127.db2.gz ZVLNYNHQQIBLCJ-KRWDZBQOSA-N 1 1 297.402 2.815 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2SC)o1 ZINC000096441758 534098665 /nfs/dbraw/zinc/09/86/65/534098665.db2.gz JSDFQMKOYPWYCF-AAEUAGOBSA-N 1 1 283.393 2.782 50 0 CFAAMO C[C@@H](CC[N@H+]1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000193766842 524487812 /nfs/dbraw/zinc/48/78/12/524487812.db2.gz TZSPGXPYHXCEHE-WMZOPIPTSA-N 1 1 288.435 2.587 50 0 CFAAMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000336463710 526613827 /nfs/dbraw/zinc/61/38/27/526613827.db2.gz JBILWHOPXMCPMC-CQSZACIVSA-N 1 1 257.337 2.758 50 0 CFAAMO Clc1ccsc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000336379895 526994026 /nfs/dbraw/zinc/99/40/26/526994026.db2.gz TUUUEEPTZLBKHM-SECBINFHSA-N 1 1 282.800 2.899 50 0 CFAAMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC000096492929 527342046 /nfs/dbraw/zinc/34/20/46/527342046.db2.gz TUUGSQHLDLETPW-UHFFFAOYSA-N 1 1 270.376 2.855 50 0 CFAAMO OCC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000161587071 527565529 /nfs/dbraw/zinc/56/55/29/527565529.db2.gz HSMUVKQKFIACGY-LBPRGKRZSA-N 1 1 284.197 2.653 50 0 CFAAMO FC(F)Oc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000363782195 527696867 /nfs/dbraw/zinc/69/68/67/527696867.db2.gz RLODESKIVHYEGF-AWEZNQCLSA-N 1 1 283.318 2.899 50 0 CFAAMO FC(F)Oc1cccc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000363782195 527696869 /nfs/dbraw/zinc/69/68/69/527696869.db2.gz RLODESKIVHYEGF-AWEZNQCLSA-N 1 1 283.318 2.899 50 0 CFAAMO CC(C)CCC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000096443958 527699190 /nfs/dbraw/zinc/69/91/90/527699190.db2.gz ACVBMPNWEHQSMC-UHFFFAOYSA-N 1 1 291.395 2.561 50 0 CFAAMO CCS[C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000096451434 529230615 /nfs/dbraw/zinc/23/06/15/529230615.db2.gz RZVCHSSRZLYOAZ-STQMWFEESA-N 1 1 272.458 2.507 50 0 CFAAMO CC(C)c1nccn1CCCNc1[nH+]cnc2[nH]ccc21 ZINC000952990644 614327959 /nfs/dbraw/zinc/32/79/59/614327959.db2.gz VQYGCORJVLGKBW-UHFFFAOYSA-N 1 1 284.367 2.732 50 0 CFAAMO CC[C@@H](C(=O)NCc1cccc(Cl)c1C)[N@@H+](C)CC ZINC000952965170 615382023 /nfs/dbraw/zinc/38/20/23/615382023.db2.gz FSWJUFUJNMVAMX-AWEZNQCLSA-N 1 1 282.815 2.995 50 0 CFAAMO CC[C@@H]1C=CC[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000952988750 615551233 /nfs/dbraw/zinc/55/12/33/615551233.db2.gz OVPAUSZRRQBGQG-OAHLLOKOSA-N 1 1 268.360 2.689 50 0 CFAAMO CC[C@H](C(=O)N1CCC2(CCCC2)C1)[N@@H+](C)CC ZINC000952976358 615600776 /nfs/dbraw/zinc/60/07/76/615600776.db2.gz KEEFWWQVCNKIKP-CYBMUJFWSA-N 1 1 252.402 2.509 50 0 CFAAMO CCCN1CCC[N@H+](Cc2ccc3ccccc3n2)CC1=O ZINC000189204532 618329978 /nfs/dbraw/zinc/32/99/78/618329978.db2.gz IAUWOVSSKKAKDL-UHFFFAOYSA-N 1 1 297.402 2.679 50 0 CFAAMO CCCN1CCC[N@@H+](Cc2ccc3ccccc3n2)CC1=O ZINC000189204532 618329984 /nfs/dbraw/zinc/32/99/84/618329984.db2.gz IAUWOVSSKKAKDL-UHFFFAOYSA-N 1 1 297.402 2.679 50 0 CFAAMO c1ccc(N[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000012434510 626405659 /nfs/dbraw/zinc/40/56/59/626405659.db2.gz MQUVXBLAQRQFEE-OAHLLOKOSA-N 1 1 260.381 2.742 50 0 CFAAMO C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090970 637872282 /nfs/dbraw/zinc/87/22/82/637872282.db2.gz HMXSKMMREFBLMP-TZMCWYRMSA-N 1 1 275.396 2.821 50 0 CFAAMO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1nnc2n1CCCC2 ZINC000084667982 650777522 /nfs/dbraw/zinc/77/75/22/650777522.db2.gz RKNUAASGELULOF-DNGMOHDESA-N 1 1 282.391 2.978 50 0 CFAAMO Cc1nc([C@@H](C)NCc2cc3cc(C)ccc3[nH]c2=O)n[nH]1 ZINC000952992238 650791827 /nfs/dbraw/zinc/79/18/27/650791827.db2.gz YWTHEXVDNMRJFW-SNVBAGLBSA-N 1 1 297.362 2.526 50 0 CFAAMO C[N@H+](C/C=C\c1ccccc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000098018993 651060751 /nfs/dbraw/zinc/06/07/51/651060751.db2.gz NTOUULSBZFSECU-SELBCVKXSA-N 1 1 293.432 2.597 50 0 CFAAMO C[N@@H+](C/C=C\c1ccccc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000098018993 651060752 /nfs/dbraw/zinc/06/07/52/651060752.db2.gz NTOUULSBZFSECU-SELBCVKXSA-N 1 1 293.432 2.597 50 0 CFAAMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000887268678 647256050 /nfs/dbraw/zinc/25/60/50/647256050.db2.gz RJMTUFHKGKGAFG-YVSFHVDLSA-N 1 1 290.451 2.898 50 0 CFAAMO CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000000216997 651101241 /nfs/dbraw/zinc/10/12/41/651101241.db2.gz HOQCKIUZQZMDSN-KGLIPLIRSA-N 1 1 252.402 2.566 50 0 CFAAMO CC[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC ZINC000822555778 781903141 /nfs/dbraw/zinc/90/31/41/781903141.db2.gz LAVUEWBQYNZUSW-CYBMUJFWSA-N 1 1 268.788 2.687 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000096455385 230376973 /nfs/dbraw/zinc/37/69/73/230376973.db2.gz IHYYLCVHKBDKFA-CQSZACIVSA-N 1 1 291.395 2.523 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000096455385 230376974 /nfs/dbraw/zinc/37/69/74/230376974.db2.gz IHYYLCVHKBDKFA-CQSZACIVSA-N 1 1 291.395 2.523 50 0 CFAAMO COc1cc(NC(=O)NCC[C@@H]2CCC[N@H+]2C)ccc1C ZINC000095504263 185000556 /nfs/dbraw/zinc/00/05/56/185000556.db2.gz HWRPBXMTHVRAQM-AWEZNQCLSA-N 1 1 291.395 2.609 50 0 CFAAMO Cc1ccsc1CN(C)c1cc[nH+]c(N(C)C)n1 ZINC000095960925 185043409 /nfs/dbraw/zinc/04/34/09/185043409.db2.gz DVDYJVMHMLZORQ-UHFFFAOYSA-N 1 1 262.382 2.549 50 0 CFAAMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCNC1=O ZINC000095978651 185051925 /nfs/dbraw/zinc/05/19/25/185051925.db2.gz MSFGSTNZMSWQBC-LBPRGKRZSA-N 1 1 287.190 2.704 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000095990948 185058213 /nfs/dbraw/zinc/05/82/13/185058213.db2.gz GZKNFGGMFQNFED-UHFFFAOYSA-N 1 1 298.346 2.819 50 0 CFAAMO CC(=O)Nc1cccc(CC[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000095992880 185058907 /nfs/dbraw/zinc/05/89/07/185058907.db2.gz ZGURFUVZRUHDAO-BETUJISGSA-N 1 1 260.381 2.775 50 0 CFAAMO C[C@]1(O)CC[N@@H+](Cc2ccc(C3CCCC3)s2)C[C@@H]1O ZINC000096139731 185105773 /nfs/dbraw/zinc/10/57/73/185105773.db2.gz KNLIKMDLAQWNJA-HOTGVXAUSA-N 1 1 295.448 2.723 50 0 CFAAMO CC[N@@H+](C)C1(CNc2nc(C)cnc2C)CCCC1 ZINC000823067748 781919659 /nfs/dbraw/zinc/91/96/59/781919659.db2.gz BZCVPWPJCFXLKI-UHFFFAOYSA-N 1 1 262.401 2.770 50 0 CFAAMO Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000097015484 185152248 /nfs/dbraw/zinc/15/22/48/185152248.db2.gz UXSSVBDVCUXPRY-MRXNPFEDSA-N 1 1 289.354 2.704 50 0 CFAAMO Cc1ccc([C@H]2CSCC[N@H+]2CCCn2ccnc2)o1 ZINC000097034126 185157833 /nfs/dbraw/zinc/15/78/33/185157833.db2.gz YEGPGZFQWOVIRU-CQSZACIVSA-N 1 1 291.420 2.965 50 0 CFAAMO Cc1nccn1CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000289029503 282208313 /nfs/dbraw/zinc/20/83/13/282208313.db2.gz OPPMPKZZFXTUES-UHFFFAOYSA-N 1 1 285.391 2.865 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)cc1 ZINC000096441612 529937398 /nfs/dbraw/zinc/93/73/98/529937398.db2.gz FKLLEGKOBGXBKF-CABCVRRESA-N 1 1 292.448 2.762 50 0 CFAAMO C[C@@H]1CC[N@H+](CCCS(C)(=O)=O)[C@@H]1c1cccc(F)c1 ZINC000084697781 178917322 /nfs/dbraw/zinc/91/73/22/178917322.db2.gz BVNNASCLUFZTHB-DOMZBBRYSA-N 1 1 299.411 2.643 50 0 CFAAMO C[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)[C@@H]1c1cccc(F)c1 ZINC000084697781 178917324 /nfs/dbraw/zinc/91/73/24/178917324.db2.gz BVNNASCLUFZTHB-DOMZBBRYSA-N 1 1 299.411 2.643 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000000757260 346205604 /nfs/dbraw/zinc/20/56/04/346205604.db2.gz ZDYVYGLUBXDKJC-IAGOWNOFSA-N 1 1 258.409 2.618 50 0 CFAAMO C[C@@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078345 346247441 /nfs/dbraw/zinc/24/74/41/346247441.db2.gz DTUDASASKRVRRY-ZYHUDNBSSA-N 1 1 299.212 2.711 50 0 CFAAMO C/C=C\C(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000033306275 346311686 /nfs/dbraw/zinc/31/16/86/346311686.db2.gz GGXORRWURANZHJ-KXFIGUGUSA-N 1 1 256.349 2.964 50 0 CFAAMO COCC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000079072717 347288017 /nfs/dbraw/zinc/28/80/17/347288017.db2.gz KHLQHOPMWPBJIP-NSHDSACASA-N 1 1 284.787 2.635 50 0 CFAAMO Fc1ccccc1OCc1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000096001579 347699580 /nfs/dbraw/zinc/69/95/80/347699580.db2.gz HGZRBKWPJNIBLH-GFCCVEGCSA-N 1 1 291.326 2.992 50 0 CFAAMO CCc1nc(Cc2nc([C@H]3CCCCC[NH2+]3)no2)cs1 ZINC000096001535 347699939 /nfs/dbraw/zinc/69/99/39/347699939.db2.gz CGPVADDYBPYHEV-LLVKDONJSA-N 1 1 292.408 2.884 50 0 CFAAMO Cc1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2C)[nH]1 ZINC000097941172 347711803 /nfs/dbraw/zinc/71/18/03/347711803.db2.gz AEQSMPROEYEMEW-AWEZNQCLSA-N 1 1 256.353 2.759 50 0 CFAAMO Cc1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2C)[nH]1 ZINC000097941172 347711804 /nfs/dbraw/zinc/71/18/04/347711804.db2.gz AEQSMPROEYEMEW-AWEZNQCLSA-N 1 1 256.353 2.759 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2[C@H](C)c2cccnc2)n1 ZINC000106908034 347733458 /nfs/dbraw/zinc/73/34/58/347733458.db2.gz ADJDLQBEQVLNMY-WBMJQRKESA-N 1 1 285.395 2.516 50 0 CFAAMO COc1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)ccc1O ZINC000194975003 348145316 /nfs/dbraw/zinc/14/53/16/348145316.db2.gz YVKCVJXREGYMHJ-GHMZBOCLSA-N 1 1 267.394 2.727 50 0 CFAAMO COc1ccc([C@H]2C[C@H](C)C[N@H+]2CCC2OCCO2)cc1 ZINC000195565961 348146854 /nfs/dbraw/zinc/14/68/54/348146854.db2.gz GMNKJOBJMRGVCS-XJKSGUPXSA-N 1 1 291.391 2.841 50 0 CFAAMO O=C(NCC1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc[nH]1 ZINC000225567590 348178601 /nfs/dbraw/zinc/17/86/01/348178601.db2.gz WEQVVJHNHPRLFH-MRXNPFEDSA-N 1 1 289.423 2.676 50 0 CFAAMO O=C(NCC1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc[nH]1 ZINC000225567590 348178604 /nfs/dbraw/zinc/17/86/04/348178604.db2.gz WEQVVJHNHPRLFH-MRXNPFEDSA-N 1 1 289.423 2.676 50 0 CFAAMO Cc1cccc(N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)[nH+]1 ZINC000390835310 348544160 /nfs/dbraw/zinc/54/41/60/348544160.db2.gz KDPAPZYVKVUGPZ-KGLIPLIRSA-N 1 1 273.380 2.593 50 0 CFAAMO O=c1ccccn1CCCCNc1cc[nH+]cc1Cl ZINC000091462435 180162236 /nfs/dbraw/zinc/16/22/36/180162236.db2.gz MUJOTTZZZIMLIN-UHFFFAOYSA-N 1 1 277.755 2.789 50 0 CFAAMO CC(C)=CC[C@@]1(CO)CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000091426777 180152010 /nfs/dbraw/zinc/15/20/10/180152010.db2.gz STLMIMBWGQHRDQ-KRWDZBQOSA-N 1 1 289.423 2.716 50 0 CFAAMO COCc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091855959 180274775 /nfs/dbraw/zinc/27/47/75/180274775.db2.gz BYCWYPMBQKYTDI-HOTGVXAUSA-N 1 1 293.432 2.539 50 0 CFAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2 ZINC000091819380 180263348 /nfs/dbraw/zinc/26/33/48/180263348.db2.gz HZASIXCLHFQGFE-NXEZZACHSA-N 1 1 284.812 2.568 50 0 CFAAMO c1cc(NCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)ncn1 ZINC000091964531 180293587 /nfs/dbraw/zinc/29/35/87/180293587.db2.gz BQEPMYIXGXAUNL-UONOGXRCSA-N 1 1 260.385 2.543 50 0 CFAAMO OCc1ccc(C[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000091907927 180283910 /nfs/dbraw/zinc/28/39/10/180283910.db2.gz ONFSSVQQZCGAPW-MRXNPFEDSA-N 1 1 259.393 2.986 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)CC2CCC(C)CC2)C1 ZINC000092101861 180325906 /nfs/dbraw/zinc/32/59/06/180325906.db2.gz MGOXGWUJKATRED-AVVWSFFYSA-N 1 1 266.429 2.613 50 0 CFAAMO OCCC[N@@H+](C[C@H]1CCOC1)[C@@H]1CCCc2ccccc21 ZINC000108096535 186204607 /nfs/dbraw/zinc/20/46/07/186204607.db2.gz DUTBPJDIUZHNRQ-CRAIPNDOSA-N 1 1 289.419 2.785 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@@H]2c2nc([C@H]3CCOC3)no2)cc1 ZINC000108140261 186205748 /nfs/dbraw/zinc/20/57/48/186205748.db2.gz TZYNOGGWGYHJTN-LSDHHAIUSA-N 1 1 299.374 2.911 50 0 CFAAMO c1ccc(C[N@H+]2CCC[C@@H]2c2nc([C@H]3CCOC3)no2)cc1 ZINC000108140261 186205749 /nfs/dbraw/zinc/20/57/49/186205749.db2.gz TZYNOGGWGYHJTN-LSDHHAIUSA-N 1 1 299.374 2.911 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1 ZINC000110641722 186308390 /nfs/dbraw/zinc/30/83/90/186308390.db2.gz FKLLEGKOBGXBKF-HUUCEWRRSA-N 1 1 292.448 2.762 50 0 CFAAMO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000080339476 539843230 /nfs/dbraw/zinc/84/32/30/539843230.db2.gz QIHVMXSKTGZHIE-BONVTDFDSA-N 1 1 259.328 2.962 50 0 CFAAMO OC[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000157122786 188297754 /nfs/dbraw/zinc/29/77/54/188297754.db2.gz PGJPLZNBBROMEK-KRWDZBQOSA-N 1 1 285.391 2.609 50 0 CFAAMO O=c1cc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)nc2ccccn12 ZINC000685939497 540020431 /nfs/dbraw/zinc/02/04/31/540020431.db2.gz OZEMTDMKEMZKEZ-GJZGRUSLSA-N 1 1 297.402 2.707 50 0 CFAAMO OC[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628117144 354437640 /nfs/dbraw/zinc/43/76/40/354437640.db2.gz UWDWTVAYXYUMNR-ZDUSSCGKSA-N 1 1 287.325 2.952 50 0 CFAAMO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc[nH]1 ZINC000084325710 540198487 /nfs/dbraw/zinc/19/84/87/540198487.db2.gz KPAJAPGASUSSAO-ZDUSSCGKSA-N 1 1 273.384 2.528 50 0 CFAAMO CC[N@@H+](CCNC(=O)N(C)[C@@H](C)CC(C)C)C(C)C ZINC000084774760 540208312 /nfs/dbraw/zinc/20/83/12/540208312.db2.gz IZSAKBBVOCUXPQ-AWEZNQCLSA-N 1 1 271.449 2.793 50 0 CFAAMO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000329389806 202313829 /nfs/dbraw/zinc/31/38/29/202313829.db2.gz UQENOGYBDKTRKV-GXTWGEPZSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000329389806 202313833 /nfs/dbraw/zinc/31/38/33/202313833.db2.gz UQENOGYBDKTRKV-GXTWGEPZSA-N 1 1 286.379 2.879 50 0 CFAAMO Cc1cccc(NCc2nc3ccccc3n2C)[nH+]1 ZINC000089688959 540718791 /nfs/dbraw/zinc/71/87/91/540718791.db2.gz ZKUWWMMCACJPRO-UHFFFAOYSA-N 1 1 252.321 2.889 50 0 CFAAMO CCc1ccc(C[NH2+]Cc2cnc3n2CCCC3)o1 ZINC000585081303 540937588 /nfs/dbraw/zinc/93/75/88/540937588.db2.gz WTUMEPAAAPIRKH-UHFFFAOYSA-N 1 1 259.353 2.665 50 0 CFAAMO Cc1nc2ccc(Cl)cn2c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000670444299 540997058 /nfs/dbraw/zinc/99/70/58/540997058.db2.gz NNGPUPYTCGWBSO-CYBMUJFWSA-N 1 1 293.798 2.907 50 0 CFAAMO CC[C@H](c1ncnn1Cc1ccc(OC)cc1)[N@H+](C)CC ZINC000670446605 540997340 /nfs/dbraw/zinc/99/73/40/540997340.db2.gz WKYMSEMEJGWCNF-OAHLLOKOSA-N 1 1 288.395 2.738 50 0 CFAAMO CC[C@H](c1ncnn1Cc1ccc(OC)cc1)[N@@H+](C)CC ZINC000670446605 540997342 /nfs/dbraw/zinc/99/73/42/540997342.db2.gz WKYMSEMEJGWCNF-OAHLLOKOSA-N 1 1 288.395 2.738 50 0 CFAAMO CCCOC[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000670448963 540998375 /nfs/dbraw/zinc/99/83/75/540998375.db2.gz BROLDHYRRCQITL-LBPRGKRZSA-N 1 1 285.819 2.630 50 0 CFAAMO Cc1[nH]c2c([nH+]1)CCN(c1nc(C)nc3ccsc31)C2 ZINC000670451316 540999199 /nfs/dbraw/zinc/99/91/99/540999199.db2.gz YTTSHLKSXOAAOX-UHFFFAOYSA-N 1 1 285.376 2.594 50 0 CFAAMO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1ccoc1 ZINC000670461229 541002698 /nfs/dbraw/zinc/00/26/98/541002698.db2.gz GUWCYIPCPOLAKQ-MRXNPFEDSA-N 1 1 299.374 2.632 50 0 CFAAMO Cc1ncc(CN2CCOc3ccc(Cl)cc3C2)[nH]1 ZINC000670455819 541001340 /nfs/dbraw/zinc/00/13/40/541001340.db2.gz HELRUETVWWZVCT-UHFFFAOYSA-N 1 1 277.755 2.766 50 0 CFAAMO FC1(F)C[C@H]1CC[NH+]1CC(Oc2ccccc2)C1 ZINC000670465610 541006208 /nfs/dbraw/zinc/00/62/08/541006208.db2.gz HZMIWSLOXKUJSX-LLVKDONJSA-N 1 1 253.292 2.795 50 0 CFAAMO CCn1ccc2cc(C[N@H+]3CC[C@@H](CC(=O)NC)C3)ccc21 ZINC000670468411 541007150 /nfs/dbraw/zinc/00/71/50/541007150.db2.gz HQLHOAFUEXZMCP-HNNXBMFYSA-N 1 1 299.418 2.619 50 0 CFAAMO Cc1ccsc1C[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000670472609 541011330 /nfs/dbraw/zinc/01/13/30/541011330.db2.gz SSHQNUPHDCUNQA-UHFFFAOYSA-N 1 1 278.421 2.501 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000670474373 541011835 /nfs/dbraw/zinc/01/18/35/541011835.db2.gz SQQHUDHQUMCAQI-OMDKTOEGSA-N 1 1 261.365 2.555 50 0 CFAAMO CC(C)=CCC[C@H](C)[NH2+]CC1(CN2CCN(C)CC2)CC1 ZINC000823789120 781939189 /nfs/dbraw/zinc/93/91/89/781939189.db2.gz IPJHTADSFWYHKO-KRWDZBQOSA-N 1 1 293.499 2.739 50 0 CFAAMO CC[N@H+](Cc1cnn(C(C)C)c1)CC1CCOCC1 ZINC000215984598 189698938 /nfs/dbraw/zinc/69/89/38/189698938.db2.gz MAGGCUXWKBGIRL-UHFFFAOYSA-N 1 1 265.401 2.713 50 0 CFAAMO C1=C(C[NH+]2CCC(CN3CCOCC3)CC2)CCCC1 ZINC000450268128 242334144 /nfs/dbraw/zinc/33/41/44/242334144.db2.gz ZACVRNNOMDVKJN-UHFFFAOYSA-N 1 1 278.440 2.531 50 0 CFAAMO C[C@@H](N[C@@H](C)c1cnccn1)[C@H](c1ccccc1)[NH+](C)C ZINC000248645886 296152113 /nfs/dbraw/zinc/15/21/13/296152113.db2.gz RMXAWDIIWJKAFG-JJRVBVJISA-N 1 1 284.407 2.819 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2c(s1)CCC2 ZINC000060567791 284199888 /nfs/dbraw/zinc/19/98/88/284199888.db2.gz AEDDVQPWBFHVIR-STQMWFEESA-N 1 1 290.432 2.593 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000000200543 371556134 /nfs/dbraw/zinc/55/61/34/371556134.db2.gz HBVYYELBJJBUGZ-UHFFFAOYSA-N 1 1 256.349 2.765 50 0 CFAAMO Clc1ccc(-c2noc(C[NH+]3CCCC3)n2)cc1 ZINC000000137850 371540261 /nfs/dbraw/zinc/54/02/61/371540261.db2.gz OQPYJPSPSGERKU-UHFFFAOYSA-N 1 1 263.728 2.986 50 0 CFAAMO CC1=CC[C@@H](COC(=O)C[NH+]2CCCCC2)CC1 ZINC000000238727 371564042 /nfs/dbraw/zinc/56/40/42/371564042.db2.gz ZXBVJDZHAACDFU-CQSZACIVSA-N 1 1 251.370 2.762 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000000254307 371570134 /nfs/dbraw/zinc/57/01/34/371570134.db2.gz ILDCWTQUCKROQJ-LBPRGKRZSA-N 1 1 264.344 2.886 50 0 CFAAMO CCC[N@@H+](CCO)Cc1ccccc1C(F)(F)F ZINC000000277601 371576627 /nfs/dbraw/zinc/57/66/27/371576627.db2.gz RGYYHJLINAHYBZ-UHFFFAOYSA-N 1 1 261.287 2.910 50 0 CFAAMO OCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000000278773 371576729 /nfs/dbraw/zinc/57/67/29/371576729.db2.gz RMUONOKGKZZHAC-UHFFFAOYSA-N 1 1 259.324 2.820 50 0 CFAAMO OCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000000278773 371576737 /nfs/dbraw/zinc/57/67/37/371576737.db2.gz RMUONOKGKZZHAC-UHFFFAOYSA-N 1 1 259.324 2.820 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000000318434 371587373 /nfs/dbraw/zinc/58/73/73/371587373.db2.gz JTPNWWCIBRVUKX-UHFFFAOYSA-N 1 1 287.190 2.771 50 0 CFAAMO COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC2 ZINC000000895668 371655024 /nfs/dbraw/zinc/65/50/24/371655024.db2.gz BOKVLBSSPUTWLV-INIZCTEOSA-N 1 1 299.370 2.878 50 0 in-man CFAAMO COc1cccc(C(=O)OCC[N@@H+](C)C(C)(C)C)c1 ZINC000001831158 371707852 /nfs/dbraw/zinc/70/78/52/371707852.db2.gz ZNYYXVIBDKASRO-UHFFFAOYSA-N 1 1 265.353 2.582 50 0 CFAAMO C[N@@H+](CCOC(=O)/C=C/c1ccccc1)C(C)(C)C ZINC000001830991 371708122 /nfs/dbraw/zinc/70/81/22/371708122.db2.gz YYNKUKLFXJBLLX-ZHACJKMWSA-N 1 1 261.365 2.973 50 0 CFAAMO c1ccc2c(c1)CCO[C@H]2CNCCC[NH+]1CCCCC1 ZINC000001836149 371708500 /nfs/dbraw/zinc/70/85/00/371708500.db2.gz JMUZORWKBQAOBK-SFHVURJKSA-N 1 1 288.435 2.766 50 0 CFAAMO CCOc1ccc(C[NH2+]CCCN(C)C)cc1OCC ZINC000002647842 371744972 /nfs/dbraw/zinc/74/49/72/371744972.db2.gz UBWAWQMRNDULPY-UHFFFAOYSA-N 1 1 280.412 2.525 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2F)C1 ZINC000002822921 371756237 /nfs/dbraw/zinc/75/62/37/371756237.db2.gz XBXOBEOHVSQKGU-CQSZACIVSA-N 1 1 281.371 2.953 50 0 CFAAMO CCCCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004028029 371829546 /nfs/dbraw/zinc/82/95/46/371829546.db2.gz DWHBWYUTTWGSGX-UONOGXRCSA-N 1 1 253.386 2.984 50 0 CFAAMO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000003393973 371796909 /nfs/dbraw/zinc/79/69/09/371796909.db2.gz GVHZOOKPKNWNPE-AWEZNQCLSA-N 1 1 265.316 2.979 50 0 CFAAMO O=c1oc2ccccc2n1C[N@@H+]1CCc2ccccc2C1 ZINC000003532686 371805284 /nfs/dbraw/zinc/80/52/84/371805284.db2.gz YJPDBVXRJNXFPO-UHFFFAOYSA-N 1 1 280.327 2.610 50 0 CFAAMO O=c1oc2ccccc2n1C[N@H+]1CCc2ccccc2C1 ZINC000003532686 371805291 /nfs/dbraw/zinc/80/52/91/371805291.db2.gz YJPDBVXRJNXFPO-UHFFFAOYSA-N 1 1 280.327 2.610 50 0 CFAAMO Cc1ccc(NC(=O)C[NH+]2CCCC2)c2c1CC(C)(C)O2 ZINC000004110193 371834511 /nfs/dbraw/zinc/83/45/11/371834511.db2.gz IARZGHXFSNJSSU-UHFFFAOYSA-N 1 1 288.391 2.743 50 0 CFAAMO C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000011873289 371934999 /nfs/dbraw/zinc/93/49/99/371934999.db2.gz XOGJDGLHUZSSOF-NSHDSACASA-N 1 1 258.325 2.506 50 0 CFAAMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000007787557 371894559 /nfs/dbraw/zinc/89/45/59/371894559.db2.gz OLLUPCKNOMJLSM-LBPRGKRZSA-N 1 1 260.381 2.974 50 0 CFAAMO CCOc1ccc(C[NH2+]CCCN(C)C)cc1Cl ZINC000010435610 371908566 /nfs/dbraw/zinc/90/85/66/371908566.db2.gz JVWVKXSNEZYITR-UHFFFAOYSA-N 1 1 270.804 2.780 50 0 CFAAMO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012414211 371960909 /nfs/dbraw/zinc/96/09/09/371960909.db2.gz KSIMRCJXVNOUTP-FHLIZLRMSA-N 1 1 289.419 2.611 50 0 CFAAMO CC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012430595 371963505 /nfs/dbraw/zinc/96/35/05/371963505.db2.gz AJGIBLXVBQTIJP-UHFFFAOYSA-N 1 1 251.717 2.842 50 0 CFAAMO CC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012430595 371963512 /nfs/dbraw/zinc/96/35/12/371963512.db2.gz AJGIBLXVBQTIJP-UHFFFAOYSA-N 1 1 251.717 2.842 50 0 CFAAMO C[C@@H](O)C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](C)O ZINC000000217030 296180611 /nfs/dbraw/zinc/18/06/11/296180611.db2.gz BBIWYAAXGZOYKA-AOOOYVTPSA-N 1 1 292.206 2.557 50 0 CFAAMO C[C@@H](O)C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](C)O ZINC000000217030 296180613 /nfs/dbraw/zinc/18/06/13/296180613.db2.gz BBIWYAAXGZOYKA-AOOOYVTPSA-N 1 1 292.206 2.557 50 0 CFAAMO CC(C)[C@@H](CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000013687464 372041496 /nfs/dbraw/zinc/04/14/96/372041496.db2.gz XXOXCDDJIVFSLB-MRXNPFEDSA-N 1 1 274.408 2.590 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)no1 ZINC000014184182 372061651 /nfs/dbraw/zinc/06/16/51/372061651.db2.gz BVQZEQYKMLKXSM-LBPRGKRZSA-N 1 1 273.336 2.615 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)no1 ZINC000014184182 372061663 /nfs/dbraw/zinc/06/16/63/372061663.db2.gz BVQZEQYKMLKXSM-LBPRGKRZSA-N 1 1 273.336 2.615 50 0 CFAAMO NNc1ccc(SCc2ccc(Cl)cc2)n[nH+]1 ZINC000015829546 372093120 /nfs/dbraw/zinc/09/31/20/372093120.db2.gz JSQDFNIVULKQPY-UHFFFAOYSA-N 1 1 266.757 2.708 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000015831429 372093386 /nfs/dbraw/zinc/09/33/86/372093386.db2.gz STPZYSDEHWOJKF-ZDUSSCGKSA-N 1 1 292.766 2.966 50 0 CFAAMO COc1ccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016192922 372101693 /nfs/dbraw/zinc/10/16/93/372101693.db2.gz JVWRRBCVSDUHFD-OKILXGFUSA-N 1 1 279.380 2.573 50 0 CFAAMO Cn1c(Cn2cnc(Cl)c2Cl)[nH+]c2cc(N)ccc21 ZINC000019702668 372180741 /nfs/dbraw/zinc/18/07/41/372180741.db2.gz FUINFSJAUAOYSG-UHFFFAOYSA-N 1 1 296.161 2.707 50 0 CFAAMO Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019418579 372161343 /nfs/dbraw/zinc/16/13/43/372161343.db2.gz DOEHBHUJBAPUGG-UHFFFAOYSA-N 1 1 294.398 2.953 50 0 CFAAMO Cc1cc(C)c(NC(=O)CCC[NH+]2CCOCC2)c(C)c1 ZINC000019566849 372174235 /nfs/dbraw/zinc/17/42/35/372174235.db2.gz MYMPGJXTYMQSIF-UHFFFAOYSA-N 1 1 290.407 2.663 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000016989264 372123463 /nfs/dbraw/zinc/12/34/63/372123463.db2.gz ONEAULCOXYZRDK-CYBMUJFWSA-N 1 1 252.402 2.557 50 0 CFAAMO O=C(C1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019939946 372211967 /nfs/dbraw/zinc/21/19/67/372211967.db2.gz CGLYCBZRDCCZPG-UHFFFAOYSA-N 1 1 286.419 2.911 50 0 CFAAMO c1ccc2c3c(c(C[NH+]4CCOCC4)cc2c1)COC3 ZINC000019947186 372213580 /nfs/dbraw/zinc/21/35/80/372213580.db2.gz UWNFOPGDTIPLCE-UHFFFAOYSA-N 1 1 269.344 2.702 50 0 CFAAMO Cc1ccc(C)c(OCCCC[NH+]2CCNCC2)c1C ZINC000020118603 372232526 /nfs/dbraw/zinc/23/25/26/372232526.db2.gz AGGWDYYVQAPCAP-UHFFFAOYSA-N 1 1 276.424 2.676 50 0 CFAAMO Cc1ccc(C[N@H+]2CCc3[nH]c(=S)[nH]c(=O)c3C2)cc1 ZINC000020131758 372234839 /nfs/dbraw/zinc/23/48/39/372234839.db2.gz MTNVYULUZSZEID-UHFFFAOYSA-N 1 1 287.388 2.712 50 0 CFAAMO C[NH+]1CCN([C@@H]2c3ccccc3COc3ccccc32)CC1 ZINC000019801860 372190891 /nfs/dbraw/zinc/19/08/91/372190891.db2.gz JEVVLGHVJYXQPQ-LJQANCHMSA-N 1 1 294.398 2.916 50 0 CFAAMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000025441593 372301427 /nfs/dbraw/zinc/30/14/27/372301427.db2.gz CXXLPWQHQOMCOF-GOSISDBHSA-N 1 1 294.398 2.993 50 0 CFAAMO c1ccc2sc(N3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000024660028 372279544 /nfs/dbraw/zinc/27/95/44/372279544.db2.gz QSJAICIFHCYTTG-LLVKDONJSA-N 1 1 259.378 2.581 50 0 CFAAMO COc1cc2c(cc1O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]2O ZINC000024717708 372280276 /nfs/dbraw/zinc/28/02/76/372280276.db2.gz QVZIJKZJCCSTJP-RDJZCZTQSA-N 1 1 299.370 2.663 50 0 CFAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](O)C3)co2)cc1 ZINC000024958061 372285596 /nfs/dbraw/zinc/28/55/96/372285596.db2.gz IUOVTFQDDGXKSQ-HNNXBMFYSA-N 1 1 272.348 2.607 50 0 CFAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](O)C3)co2)cc1 ZINC000024958061 372285603 /nfs/dbraw/zinc/28/56/03/372285603.db2.gz IUOVTFQDDGXKSQ-HNNXBMFYSA-N 1 1 272.348 2.607 50 0 CFAAMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000026225845 372316349 /nfs/dbraw/zinc/31/63/49/372316349.db2.gz FDJVOVPFULLGMX-CXAGYDPISA-N 1 1 298.386 2.963 50 0 CFAAMO Cc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000027932324 372353138 /nfs/dbraw/zinc/35/31/38/372353138.db2.gz IKDUAVSPPWPBPZ-CQSZACIVSA-N 1 1 273.380 2.615 50 0 CFAAMO CCCC[C@@H](CC)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932218 372353176 /nfs/dbraw/zinc/35/31/76/372353176.db2.gz CFBUHKAMPDNOQD-ZIAGYGMSSA-N 1 1 252.402 2.509 50 0 CFAAMO C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C(N)=O)c1 ZINC000029172948 372375003 /nfs/dbraw/zinc/37/50/03/372375003.db2.gz MQSIWPQKIFYLQL-UHFFFAOYSA-N 1 1 272.323 2.557 50 0 CFAAMO Cc1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000030318404 372392701 /nfs/dbraw/zinc/39/27/01/372392701.db2.gz YUXFNEYQHYUVFB-UHFFFAOYSA-N 1 1 298.386 2.685 50 0 CFAAMO Cc1cc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c(C)o1 ZINC000030318404 372392704 /nfs/dbraw/zinc/39/27/04/372392704.db2.gz YUXFNEYQHYUVFB-UHFFFAOYSA-N 1 1 298.386 2.685 50 0 CFAAMO Cc1cc(N2CCC[C@@H]2c2cccnc2)nc(C)[nH+]1 ZINC000032908948 372475258 /nfs/dbraw/zinc/47/52/58/372475258.db2.gz LGCMIZXUZDIDAF-CQSZACIVSA-N 1 1 254.337 2.830 50 0 CFAAMO [NH3+]CCCN(CCc1ccccc1)Cc1ccco1 ZINC000032919848 372476385 /nfs/dbraw/zinc/47/63/85/372476385.db2.gz BDRHULMQNZEOFS-UHFFFAOYSA-N 1 1 258.365 2.673 50 0 CFAAMO C[C@@H](CNC(=O)c1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000031964811 372423577 /nfs/dbraw/zinc/42/35/77/372423577.db2.gz GVQNFRSUYMQKGL-NSHDSACASA-N 1 1 290.388 2.518 50 0 CFAAMO C[C@@H](CNC(=O)c1ccco1)[N@H+]1CCc2sccc2C1 ZINC000031964811 372423582 /nfs/dbraw/zinc/42/35/82/372423582.db2.gz GVQNFRSUYMQKGL-NSHDSACASA-N 1 1 290.388 2.518 50 0 CFAAMO c1c(CCNc2ncnc3ccccc32)[nH+]c2n1CCCC2 ZINC000032777846 372462736 /nfs/dbraw/zinc/46/27/36/372462736.db2.gz ZKMNSGYBFAKBRE-UHFFFAOYSA-N 1 1 293.374 2.817 50 0 CFAAMO CC(C)c1cc(C(=O)N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000032820004 372466059 /nfs/dbraw/zinc/46/60/59/372466059.db2.gz PSWOIMHGXSZMCH-UHFFFAOYSA-N 1 1 297.402 2.746 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000032888193 372471549 /nfs/dbraw/zinc/47/15/49/372471549.db2.gz DXMIHUUKOFHYQY-GFCCVEGCSA-N 1 1 278.421 2.507 50 0 CFAAMO C[NH+](C)C(C)(C)CNCc1c[nH]nc1-c1cccs1 ZINC000035052555 372533558 /nfs/dbraw/zinc/53/35/58/372533558.db2.gz FFROTJKQMYGPTQ-UHFFFAOYSA-N 1 1 278.425 2.568 50 0 CFAAMO COc1cc(C[N@@H+](CCC(C)C)C[C@@H](C)O)cc(OC)c1 ZINC000036095150 372555482 /nfs/dbraw/zinc/55/54/82/372555482.db2.gz NHIKEIKCIJXLED-CQSZACIVSA-N 1 1 295.423 2.933 50 0 CFAAMO CCC[N@H+](Cc1cccs1)C[C@@H](O)COCC(C)C ZINC000036096625 372558788 /nfs/dbraw/zinc/55/87/88/372558788.db2.gz FFEJFRAZISOHKW-CQSZACIVSA-N 1 1 285.453 2.994 50 0 CFAAMO CCC[N@H+](Cc1ccc(C)o1)C[C@@H](O)COCC(C)C ZINC000036097890 372559045 /nfs/dbraw/zinc/55/90/45/372559045.db2.gz JIAOSVGPMIZPSY-OAHLLOKOSA-N 1 1 283.412 2.834 50 0 CFAAMO CC[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000036161349 372563641 /nfs/dbraw/zinc/56/36/41/372563641.db2.gz BIBWXWJMWFFRSQ-VIFPVBQESA-N 1 1 291.420 2.561 50 0 CFAAMO CC[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000036161349 372563646 /nfs/dbraw/zinc/56/36/46/372563646.db2.gz BIBWXWJMWFFRSQ-VIFPVBQESA-N 1 1 291.420 2.561 50 0 CFAAMO Nc1cccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC2)c1 ZINC000036231154 372568679 /nfs/dbraw/zinc/56/86/79/372568679.db2.gz BJRMIMHQJVVGBB-INIZCTEOSA-N 1 1 260.381 2.802 50 0 CFAAMO Cc1n[nH]cc1CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036901565 372607944 /nfs/dbraw/zinc/60/79/44/372607944.db2.gz DPKYPWJMZHMYFJ-QGZVFWFLSA-N 1 1 284.407 2.645 50 0 CFAAMO Cc1ccccc1CN1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000039437887 372779961 /nfs/dbraw/zinc/77/99/61/372779961.db2.gz FHEORWDDWWSIRR-GOSISDBHSA-N 1 1 290.451 2.520 50 0 CFAAMO CO[C@H]1CCCN(CC[N@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000039447835 372780221 /nfs/dbraw/zinc/78/02/21/372780221.db2.gz FIJPMISJQKYIGK-ROUUACIJSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@H]1CCC[N@H+](CCN2CC[C@H](c3ccccc3)C2)C1 ZINC000039447835 372780224 /nfs/dbraw/zinc/78/02/24/372780224.db2.gz FIJPMISJQKYIGK-ROUUACIJSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@H]1CCC[N@@H+](CCN2CC[C@H](c3ccccc3)C2)C1 ZINC000039447835 372780228 /nfs/dbraw/zinc/78/02/28/372780228.db2.gz FIJPMISJQKYIGK-ROUUACIJSA-N 1 1 288.435 2.587 50 0 CFAAMO c1cc2ncnc(N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2s1 ZINC000047975386 373135338 /nfs/dbraw/zinc/13/53/38/373135338.db2.gz YZXNKGLPNWHMAO-ZYHUDNBSSA-N 1 1 274.393 2.730 50 0 CFAAMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000049423168 373295133 /nfs/dbraw/zinc/29/51/33/373295133.db2.gz CWYOEHVZOYNOJB-CQSZACIVSA-N 1 1 278.371 2.562 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)/C=C/c1ccccc1Cl ZINC000049460945 373299788 /nfs/dbraw/zinc/29/97/88/373299788.db2.gz BZSHGOZTNMNFLB-VOTSOKGWSA-N 1 1 289.766 2.675 50 0 CFAAMO Cc1noc(C)c1C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000053812668 373488138 /nfs/dbraw/zinc/48/81/38/373488138.db2.gz QRADYIQQLPVDRX-UHFFFAOYSA-N 1 1 285.391 2.922 50 0 CFAAMO CCCc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000057218679 373584681 /nfs/dbraw/zinc/58/46/81/373584681.db2.gz QOFQVVRZZDJYEM-UHFFFAOYSA-N 1 1 283.375 2.693 50 0 CFAAMO CCCc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000057218679 373584692 /nfs/dbraw/zinc/58/46/92/373584692.db2.gz QOFQVVRZZDJYEM-UHFFFAOYSA-N 1 1 283.375 2.693 50 0 CFAAMO CCOC[C@@H](O)CNc1cc(C)c2cc(C)ccc2[nH+]1 ZINC000055108961 373541491 /nfs/dbraw/zinc/54/14/91/373541491.db2.gz YKKOSVISHTXQCK-ZDUSSCGKSA-N 1 1 274.364 2.661 50 0 CFAAMO CCOC(=O)N1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ZINC000055291818 373547114 /nfs/dbraw/zinc/54/71/14/373547114.db2.gz PYZLWGGDVXNDRX-CYBMUJFWSA-N 1 1 294.370 2.531 50 0 CFAAMO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(CC(N)=O)CC1 ZINC000056494248 373564901 /nfs/dbraw/zinc/56/49/01/373564901.db2.gz BCMUPBHNXLRYDK-JTQLQIEISA-N 1 1 282.334 2.613 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000058210799 373633419 /nfs/dbraw/zinc/63/34/19/373633419.db2.gz HAWAXXLQJHYCCT-CQSZACIVSA-N 1 1 299.418 2.557 50 0 CFAAMO Cc1cc(C)c(C[NH2+][C@H](C(N)=O)c2ccccc2)c(C)c1 ZINC000058283126 373640493 /nfs/dbraw/zinc/64/04/93/373640493.db2.gz AGEQJIFYDHHFKR-KRWDZBQOSA-N 1 1 282.387 2.928 50 0 CFAAMO C[C@@H]1CCC[C@H](NC(=O)C[NH2+]Cc2ccccc2F)[C@@H]1C ZINC000058444872 373658807 /nfs/dbraw/zinc/65/88/07/373658807.db2.gz NOHHYXJOLYVXCJ-IOASZLSFSA-N 1 1 292.398 2.856 50 0 CFAAMO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccccc1Cl ZINC000058392621 373652668 /nfs/dbraw/zinc/65/26/68/373652668.db2.gz NTDOQBASBLCGFT-UHFFFAOYSA-N 1 1 292.814 2.738 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2s1 ZINC000058391586 373652933 /nfs/dbraw/zinc/65/29/33/373652933.db2.gz SNHAJCRHONSZSF-GFCCVEGCSA-N 1 1 274.389 2.725 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000057622594 373604467 /nfs/dbraw/zinc/60/44/67/373604467.db2.gz FGSSSGKYTVAXKL-HNNXBMFYSA-N 1 1 259.353 2.967 50 0 CFAAMO CCOCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000057621094 373605048 /nfs/dbraw/zinc/60/50/48/373605048.db2.gz YJCVDRMYWSMIKJ-OAHLLOKOSA-N 1 1 279.380 2.877 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000062161023 373754081 /nfs/dbraw/zinc/75/40/81/373754081.db2.gz DKMHZZBONYSPOO-OAHLLOKOSA-N 1 1 290.407 2.600 50 0 CFAAMO c1cnn(CC[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000064142278 373819564 /nfs/dbraw/zinc/81/95/64/373819564.db2.gz IJJPPWVQZWDQIK-UHFFFAOYSA-N 1 1 259.353 2.921 50 0 CFAAMO C/C=C(\C)C[N@H+](C)Cc1nc(-c2ccncc2)no1 ZINC000065528941 373884782 /nfs/dbraw/zinc/88/47/82/373884782.db2.gz OYZBZSCWLHTKJP-NYYWCZLTSA-N 1 1 258.325 2.530 50 0 CFAAMO C/C=C(\C)C[N@@H+](C)Cc1nc(-c2ccncc2)no1 ZINC000065528941 373884790 /nfs/dbraw/zinc/88/47/90/373884790.db2.gz OYZBZSCWLHTKJP-NYYWCZLTSA-N 1 1 258.325 2.530 50 0 CFAAMO COc1ccc(-c2ccc(C)[nH+]c2N)c(OC)c1OC ZINC000065536606 373885504 /nfs/dbraw/zinc/88/55/04/373885504.db2.gz SFWKKAVHYYIDSX-UHFFFAOYSA-N 1 1 274.320 2.665 50 0 CFAAMO CCCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000065287929 373852749 /nfs/dbraw/zinc/85/27/49/373852749.db2.gz SSQVULFWLFXTGG-AWEZNQCLSA-N 1 1 274.368 2.661 50 0 CFAAMO C[C@@H](O)C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000065288534 373855398 /nfs/dbraw/zinc/85/53/98/373855398.db2.gz XOSNBLMPZURDQG-SECBINFHSA-N 1 1 288.185 2.635 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2cccc(OC)c2)n1 ZINC000065288343 373855482 /nfs/dbraw/zinc/85/54/82/373855482.db2.gz YNMSEHOACSSTSP-UHFFFAOYSA-N 1 1 284.319 2.552 50 0 CFAAMO CCCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)cc(C)[nH+]1 ZINC000065371920 373858163 /nfs/dbraw/zinc/85/81/63/373858163.db2.gz SLDDPTUUNRSMPO-WMLDXEAASA-N 1 1 283.375 2.808 50 0 CFAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000065371466 373858246 /nfs/dbraw/zinc/85/82/46/373858246.db2.gz BSAIWUZRUAUQOA-GFCCVEGCSA-N 1 1 259.353 2.920 50 0 CFAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000065371466 373858254 /nfs/dbraw/zinc/85/82/54/373858254.db2.gz BSAIWUZRUAUQOA-GFCCVEGCSA-N 1 1 259.353 2.920 50 0 CFAAMO CCCc1nc(NCc2noc(C(C)C)n2)cc(C)[nH+]1 ZINC000065372476 373859447 /nfs/dbraw/zinc/85/94/47/373859447.db2.gz DVGZGMYBBQIXRW-UHFFFAOYSA-N 1 1 275.356 2.856 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC000065394657 373863222 /nfs/dbraw/zinc/86/32/22/373863222.db2.gz OIJVOKCOYPVZHI-ZDUSSCGKSA-N 1 1 266.385 2.928 50 0 CFAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000065393524 373864294 /nfs/dbraw/zinc/86/42/94/373864294.db2.gz SVHUVXWVNXQNDL-CQSZACIVSA-N 1 1 262.397 2.568 50 0 CFAAMO CCc1cnc(C)nc1N(C)C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000065406809 373868431 /nfs/dbraw/zinc/86/84/31/373868431.db2.gz VWXFDTIFQXBQOX-AWEZNQCLSA-N 1 1 276.428 2.514 50 0 CFAAMO CCOC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000065465496 373875863 /nfs/dbraw/zinc/87/58/63/373875863.db2.gz MHQCTOWYDRRJSL-ZDUSSCGKSA-N 1 1 291.395 2.695 50 0 CFAAMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000066653128 373944125 /nfs/dbraw/zinc/94/41/25/373944125.db2.gz UFZYQLWOSVSQCD-LBPRGKRZSA-N 1 1 292.448 2.699 50 0 CFAAMO CN1CCC[C@]2(CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)C1=O ZINC000067727247 373997390 /nfs/dbraw/zinc/99/73/90/373997390.db2.gz PNFAZRIHGYDEIX-GOSISDBHSA-N 1 1 297.402 2.612 50 0 CFAAMO Cc1ccnc(NCCNC2CC[NH+](CC(C)C)CC2)c1 ZINC000067772618 374001213 /nfs/dbraw/zinc/00/12/13/374001213.db2.gz WKNJIVSCNJCNEE-UHFFFAOYSA-N 1 1 290.455 2.512 50 0 CFAAMO CCCC[C@H]1C=CC[N@H+]1Cc1c(O)c(C)ncc1CO ZINC000067821173 374006883 /nfs/dbraw/zinc/00/68/83/374006883.db2.gz BGGJJNMSIZAAPX-AWEZNQCLSA-N 1 1 276.380 2.519 50 0 CFAAMO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)c(Cl)cc1O ZINC000067871958 374013417 /nfs/dbraw/zinc/01/34/17/374013417.db2.gz BVCVZZVERLAASP-NSHDSACASA-N 1 1 298.814 2.615 50 0 CFAAMO CC(C)C[NH+]1CCC(N2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000067920193 374015408 /nfs/dbraw/zinc/01/54/08/374015408.db2.gz HQLQWMJMNWSXQH-OAHLLOKOSA-N 1 1 290.455 2.710 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000067675538 373990219 /nfs/dbraw/zinc/99/02/19/373990219.db2.gz GFTRIQPRFWWMPX-YKAQBRKTSA-N 1 1 293.436 2.551 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000069616501 374078970 /nfs/dbraw/zinc/07/89/70/374078970.db2.gz QWYOTPGLUBJPNG-CABCVRRESA-N 1 1 264.413 2.652 50 0 CFAAMO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)cc12 ZINC000069161150 374049495 /nfs/dbraw/zinc/04/94/95/374049495.db2.gz WOXGLHGXYMTJSU-INIZCTEOSA-N 1 1 295.390 2.942 50 0 CFAAMO CC[N@@H+](Cc1ccc(C(=O)N(C)OC)cc1)C(C)C ZINC000069565641 374074565 /nfs/dbraw/zinc/07/45/65/374074565.db2.gz FHATXBSJOXMJAS-UHFFFAOYSA-N 1 1 264.369 2.550 50 0 CFAAMO C[C@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)n1cccc1 ZINC000069569049 374075046 /nfs/dbraw/zinc/07/50/46/374075046.db2.gz DWKVCBYVJXQVEZ-OWCLPIDISA-N 1 1 289.423 2.524 50 0 CFAAMO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000069589625 374076688 /nfs/dbraw/zinc/07/66/88/374076688.db2.gz YOWCXUFZGUTUPY-MNOVXSKESA-N 1 1 284.350 2.776 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000069901960 374109214 /nfs/dbraw/zinc/10/92/14/374109214.db2.gz MHMKXWWBGQPUFB-HUUCEWRRSA-N 1 1 273.380 2.711 50 0 CFAAMO CC(C)[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@H](C)O ZINC000069900613 374109467 /nfs/dbraw/zinc/10/94/67/374109467.db2.gz AIVICZMIZQDHHR-LBPRGKRZSA-N 1 1 298.814 2.760 50 0 CFAAMO COCCN1CC[N@H+]([C@@H](C)CCc2ccccc2)C[C@@H]1C ZINC000069976743 374114118 /nfs/dbraw/zinc/11/41/18/374114118.db2.gz WVOWAMIWMAHPIN-IRXDYDNUSA-N 1 1 290.451 2.660 50 0 CFAAMO Cc1ccsc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069667702 374085837 /nfs/dbraw/zinc/08/58/37/374085837.db2.gz IOVKTXOJMHETEC-STQMWFEESA-N 1 1 278.421 2.755 50 0 CFAAMO CC(C)CCc1noc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)n1 ZINC000069779491 374095423 /nfs/dbraw/zinc/09/54/23/374095423.db2.gz IJONRLAGXQETTO-CHWSQXEVSA-N 1 1 291.399 2.594 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNCc2c[nH]nc2C(C)(C)C)C1 ZINC000071837281 374227320 /nfs/dbraw/zinc/22/73/20/374227320.db2.gz ZVJRQTRVZLVVTM-CYBMUJFWSA-N 1 1 278.444 2.527 50 0 CFAAMO Cc1cc(Nc2cccc(Br)c2)nc(N)[nH+]1 ZINC000072437053 374253924 /nfs/dbraw/zinc/25/39/24/374253924.db2.gz IALWHOWCRKZKMQ-UHFFFAOYSA-N 1 1 279.141 2.873 50 0 CFAAMO CN(Cc1ccc(CCC(C)(C)O)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000072481487 374255363 /nfs/dbraw/zinc/25/53/63/374255363.db2.gz WZJQKQHDZPBAIA-QGZVFWFLSA-N 1 1 290.451 2.526 50 0 CFAAMO CN1CC[C@@H]([N@H+](C)Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072481487 374255372 /nfs/dbraw/zinc/25/53/72/374255372.db2.gz WZJQKQHDZPBAIA-QGZVFWFLSA-N 1 1 290.451 2.526 50 0 CFAAMO CN1CC[C@@H]([N@@H+](C)Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072481487 374255375 /nfs/dbraw/zinc/25/53/75/374255375.db2.gz WZJQKQHDZPBAIA-QGZVFWFLSA-N 1 1 290.451 2.526 50 0 CFAAMO C[N@H+]1CCC[C@H](c2ccc(Br)cn2)C1 ZINC000072343671 374246272 /nfs/dbraw/zinc/24/62/72/374246272.db2.gz ZFGBADIVZVYYDX-VIFPVBQESA-N 1 1 255.159 2.653 50 0 CFAAMO Cc1cc(CNC2CC[NH+](C)CC2)ccc1Br ZINC000073852486 374393039 /nfs/dbraw/zinc/39/30/39/374393039.db2.gz DSTJNKCTGJOYDP-UHFFFAOYSA-N 1 1 297.240 2.941 50 0 CFAAMO COc1ccc(CC[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000075118806 374459352 /nfs/dbraw/zinc/45/93/52/374459352.db2.gz SGNCLPWYVXMWAZ-MRXNPFEDSA-N 1 1 299.418 2.851 50 0 CFAAMO Cn1cc(CCC[N@@H+](C[C@@H](O)c2ccccc2)C2CC2)cn1 ZINC000075140796 374460734 /nfs/dbraw/zinc/46/07/34/374460734.db2.gz RQUHCZHDBSGSCB-GOSISDBHSA-N 1 1 299.418 2.551 50 0 CFAAMO CC(C)c1ncc2c(n1)C[N@H+](CCc1ccccn1)CC2 ZINC000075133713 374462343 /nfs/dbraw/zinc/46/23/43/374462343.db2.gz VBPAJHSRFBJUPV-UHFFFAOYSA-N 1 1 282.391 2.596 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000075748342 374501586 /nfs/dbraw/zinc/50/15/86/374501586.db2.gz HFFRCPGMPGSXHK-ZIAGYGMSSA-N 1 1 251.395 2.547 50 0 CFAAMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2cncn2)o1 ZINC000076145202 374535352 /nfs/dbraw/zinc/53/53/52/374535352.db2.gz ZZMOXGTWEAPLSJ-ZFWWWQNUSA-N 1 1 288.395 2.907 50 0 CFAAMO Cc1nc(C[N@H+](CCO)[C@H]2CCc3ccccc32)oc1C ZINC000079311554 374602044 /nfs/dbraw/zinc/60/20/44/374602044.db2.gz RPYZYEPZPFRCDZ-INIZCTEOSA-N 1 1 286.375 2.773 50 0 CFAAMO Cc1nc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)oc1C ZINC000079311554 374602051 /nfs/dbraw/zinc/60/20/51/374602051.db2.gz RPYZYEPZPFRCDZ-INIZCTEOSA-N 1 1 286.375 2.773 50 0 CFAAMO C[C@H]1C[C@@H](NCc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338436 374650906 /nfs/dbraw/zinc/65/09/06/374650906.db2.gz YNSJKKNVCACIEU-HOCLYGCPSA-N 1 1 284.407 2.552 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@H](CCO)C2)c(Cl)c1 ZINC000083927834 374759435 /nfs/dbraw/zinc/75/94/35/374759435.db2.gz CXEMLBWIIIXIRP-NSHDSACASA-N 1 1 269.772 2.553 50 0 CFAAMO CCn1ccnc1C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000089310006 374896145 /nfs/dbraw/zinc/89/61/45/374896145.db2.gz FNJYAJUGCUDMPO-UHFFFAOYSA-N 1 1 298.434 2.924 50 0 CFAAMO CCn1ccnc1C[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000089310006 374896148 /nfs/dbraw/zinc/89/61/48/374896148.db2.gz FNJYAJUGCUDMPO-UHFFFAOYSA-N 1 1 298.434 2.924 50 0 CFAAMO COc1ccc(CC[NH2+][C@H](C)c2cn[nH]c2C)cc1OC ZINC000089544455 374921928 /nfs/dbraw/zinc/92/19/28/374921928.db2.gz UAPQDQFDCPCTOJ-LLVKDONJSA-N 1 1 289.379 2.629 50 0 CFAAMO c1cnn(CCCCC[N@H+]2CCOc3ccccc3C2)c1 ZINC000089865488 374961015 /nfs/dbraw/zinc/96/10/15/374961015.db2.gz VEJLIAVXGNRGJT-UHFFFAOYSA-N 1 1 285.391 2.948 50 0 CFAAMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894295 374964799 /nfs/dbraw/zinc/96/47/99/374964799.db2.gz DYRKSLCHXYRGMT-VXGBXAGGSA-N 1 1 292.404 2.996 50 0 CFAAMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894295 374964805 /nfs/dbraw/zinc/96/48/05/374964805.db2.gz DYRKSLCHXYRGMT-VXGBXAGGSA-N 1 1 292.404 2.996 50 0 CFAAMO COc1cccc([C@H]2C[N@H+](CCc3ccncc3)CCO2)c1 ZINC000089469942 374911699 /nfs/dbraw/zinc/91/16/99/374911699.db2.gz MWVKGBSQLNIQEM-GOSISDBHSA-N 1 1 298.386 2.706 50 0 CFAAMO COc1cccc([C@H]2C[N@@H+](CCc3ccncc3)CCO2)c1 ZINC000089469942 374911703 /nfs/dbraw/zinc/91/17/03/374911703.db2.gz MWVKGBSQLNIQEM-GOSISDBHSA-N 1 1 298.386 2.706 50 0 CFAAMO CCOc1ccc(NC(=O)Cn2cc(C)[nH+]c2C)cc1 ZINC000089991153 374983420 /nfs/dbraw/zinc/98/34/20/374983420.db2.gz NKMGKIQTWNMSQJ-UHFFFAOYSA-N 1 1 273.336 2.537 50 0 CFAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000090003984 374983602 /nfs/dbraw/zinc/98/36/02/374983602.db2.gz DMFDDORSJNNVBX-AWEZNQCLSA-N 1 1 289.448 2.979 50 0 CFAAMO C[N@@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCSC1 ZINC000089939161 374972541 /nfs/dbraw/zinc/97/25/41/374972541.db2.gz AFXIQPBMOQAQQE-JTQLQIEISA-N 1 1 266.341 2.904 50 0 CFAAMO O=C1CC[C@]2(CCC[N@H+](CCCCCF)C2)CN1C1CC1 ZINC000091476753 375050850 /nfs/dbraw/zinc/05/08/50/375050850.db2.gz TZZMIISUHALAND-KRWDZBQOSA-N 1 1 296.430 2.993 50 0 CFAAMO CCCCN(C)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000091645621 375054771 /nfs/dbraw/zinc/05/47/71/375054771.db2.gz AWWLHFNIOXEYSH-HNNXBMFYSA-N 1 1 262.397 2.856 50 0 CFAAMO Fc1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1Cl ZINC000092648240 375134501 /nfs/dbraw/zinc/13/45/01/375134501.db2.gz GFIZNTAVZFMDCD-UHFFFAOYSA-N 1 1 294.761 2.908 50 0 CFAAMO COc1c(C)cc(C[N@H+](C)Cc2ccnn2C)cc1C ZINC000092787026 375154669 /nfs/dbraw/zinc/15/46/69/375154669.db2.gz YTKSRFYAJDPWGN-UHFFFAOYSA-N 1 1 273.380 2.678 50 0 CFAAMO COc1c(C)cc(C[N@@H+](C)Cc2ccnn2C)cc1C ZINC000092787026 375154678 /nfs/dbraw/zinc/15/46/78/375154678.db2.gz YTKSRFYAJDPWGN-UHFFFAOYSA-N 1 1 273.380 2.678 50 0 CFAAMO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000092540684 375121808 /nfs/dbraw/zinc/12/18/08/375121808.db2.gz KWPBYZTUQVPKLB-TXEJJXNPSA-N 1 1 278.421 2.971 50 0 CFAAMO Cc1cc(C[N@H+]2CCC[C@](C)(CO)C2)ccc1F ZINC000093340806 375220379 /nfs/dbraw/zinc/22/03/79/375220379.db2.gz NCBOPJOPJQZHLW-HNNXBMFYSA-N 1 1 251.345 2.729 50 0 CFAAMO CCCn1c2ccccc2nc1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000093839859 375318483 /nfs/dbraw/zinc/31/84/83/375318483.db2.gz AMBIBMSRWSXHIZ-AWEZNQCLSA-N 1 1 287.407 2.915 50 0 CFAAMO CC(C)Cc1ncc(C[N@@H+](C)C[C@H]2CCOC2)s1 ZINC000093840457 375321438 /nfs/dbraw/zinc/32/14/38/375321438.db2.gz HLMDLOWOHLMVGG-GFCCVEGCSA-N 1 1 268.426 2.810 50 0 CFAAMO CSC[C@H](C)[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000093558130 375265938 /nfs/dbraw/zinc/26/59/38/375265938.db2.gz LVTZPYHXQXDJHP-NSHDSACASA-N 1 1 266.410 2.828 50 0 CFAAMO Cn1cc(CC[N@@H+](C)C[C@@H]2CCOc3ccccc3C2)cn1 ZINC000095499169 375461600 /nfs/dbraw/zinc/46/16/00/375461600.db2.gz CNWUYJRDXZWHMT-OAHLLOKOSA-N 1 1 299.418 2.536 50 0 CFAAMO Cc1nc(C[C@H]2CCCN(c3cc[nH+]cc3Cl)C2)no1 ZINC000095994744 375467118 /nfs/dbraw/zinc/46/71/18/375467118.db2.gz JMDWKJJSOTTXBY-LLVKDONJSA-N 1 1 292.770 2.886 50 0 CFAAMO CCOCC[N@H+]1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095362955 375422061 /nfs/dbraw/zinc/42/20/61/375422061.db2.gz MEOTXHHLDLNYJS-CQSZACIVSA-N 1 1 265.401 2.680 50 0 CFAAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000095426363 375443460 /nfs/dbraw/zinc/44/34/60/375443460.db2.gz PAPBWLBFFVLBHD-KBPBESRZSA-N 1 1 288.439 2.695 50 0 CFAAMO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000097146632 375531381 /nfs/dbraw/zinc/53/13/81/375531381.db2.gz RGFQUUVMZGPWSO-CVYDXHPNSA-N 1 1 294.483 2.902 50 0 CFAAMO COCCCN1CCC([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000097146562 375531838 /nfs/dbraw/zinc/53/18/38/375531838.db2.gz VOSZRWVKSHDDNX-HLLBOEOZSA-N 1 1 282.472 2.902 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000097159472 375533545 /nfs/dbraw/zinc/53/35/45/375533545.db2.gz NKEKLYCPPJBSMA-AWEZNQCLSA-N 1 1 255.365 2.928 50 0 CFAAMO CCC(C)(C)[NH2+][C@H](C)C(=O)OCc1cnc(C)s1 ZINC000097164540 375535631 /nfs/dbraw/zinc/53/56/31/375535631.db2.gz DEBBFUJLLASULS-SECBINFHSA-N 1 1 270.398 2.661 50 0 CFAAMO CC[N@H+]1CC[C@H](Nc2cccc3c2OCCO3)[C@H](C)C1 ZINC000097162703 375535837 /nfs/dbraw/zinc/53/58/37/375535837.db2.gz AIJCHPNYHMWZHA-OLZOCXBDSA-N 1 1 276.380 2.600 50 0 CFAAMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000097200933 375539072 /nfs/dbraw/zinc/53/90/72/375539072.db2.gz HKIUJIPKTPMTSV-INIZCTEOSA-N 1 1 282.391 2.719 50 0 CFAAMO CCCc1noc([C@H](C)[NH+]2CCC(c3cn[nH]c3)CC2)n1 ZINC000097203539 375539264 /nfs/dbraw/zinc/53/92/64/375539264.db2.gz PCJHOOOGWSZACL-NSHDSACASA-N 1 1 289.383 2.686 50 0 CFAAMO C[N@@H+](Cc1nc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000097201023 375539330 /nfs/dbraw/zinc/53/93/30/375539330.db2.gz YLEKWOYIWOBYSN-UHFFFAOYSA-N 1 1 271.364 2.688 50 0 CFAAMO OC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230854 375542230 /nfs/dbraw/zinc/54/22/30/375542230.db2.gz CUGHMFSERFBZCK-ZDUSSCGKSA-N 1 1 294.826 2.754 50 0 CFAAMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCN2CCOC2=O)C1 ZINC000096441533 375486739 /nfs/dbraw/zinc/48/67/39/375486739.db2.gz JWIACOQJQILTOG-SWLSCSKDSA-N 1 1 292.354 2.661 50 0 CFAAMO Cc1cc(C[N@H+](CCO)C2CCN(C)CC2)ccc1Cl ZINC000097236363 375543330 /nfs/dbraw/zinc/54/33/30/375543330.db2.gz LTWCLMPIOSJYHX-UHFFFAOYSA-N 1 1 296.842 2.537 50 0 CFAAMO Cc1cc(CN(CCO)C2CC[NH+](C)CC2)ccc1Cl ZINC000097236363 375543336 /nfs/dbraw/zinc/54/33/36/375543336.db2.gz LTWCLMPIOSJYHX-UHFFFAOYSA-N 1 1 296.842 2.537 50 0 CFAAMO C[N@@H+](CCc1ccncc1)C[C@@H](O)c1c(F)cccc1F ZINC000097051134 375504114 /nfs/dbraw/zinc/50/41/14/375504114.db2.gz YCNTVJULCGETJM-OAHLLOKOSA-N 1 1 292.329 2.568 50 0 CFAAMO c1cc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)cs1 ZINC000097085357 375511464 /nfs/dbraw/zinc/51/14/64/375511464.db2.gz PEIIJEMBSRMAEA-SECBINFHSA-N 1 1 272.333 2.725 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCCO1 ZINC000097244180 375544816 /nfs/dbraw/zinc/54/48/16/375544816.db2.gz QWDCFRGCSXQIAJ-CYBMUJFWSA-N 1 1 271.364 2.688 50 0 CFAAMO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)CCC)c2C1 ZINC000097141686 375528775 /nfs/dbraw/zinc/52/87/75/375528775.db2.gz KNQZWYRIXPHRFZ-UHFFFAOYSA-N 1 1 296.436 2.954 50 0 CFAAMO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)CCC)c2C1 ZINC000097141686 375528778 /nfs/dbraw/zinc/52/87/78/375528778.db2.gz KNQZWYRIXPHRFZ-UHFFFAOYSA-N 1 1 296.436 2.954 50 0 CFAAMO O=Cc1c(F)cccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000097848818 375585694 /nfs/dbraw/zinc/58/56/94/375585694.db2.gz JWQUOAVDCIQLCK-UHFFFAOYSA-N 1 1 298.361 2.960 50 0 CFAAMO Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cc(C2CC2)[nH]n1 ZINC000097823351 375586782 /nfs/dbraw/zinc/58/67/82/375586782.db2.gz BMSZJQNBBARPNX-LLVKDONJSA-N 1 1 273.384 2.820 50 0 CFAAMO C[C@H](C[NH+]1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000097307402 375548306 /nfs/dbraw/zinc/54/83/06/375548306.db2.gz DBDNLRXQZHIZNG-CYBMUJFWSA-N 1 1 270.380 2.788 50 0 CFAAMO CC(C)CC[N@@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000097493242 375566686 /nfs/dbraw/zinc/56/66/86/375566686.db2.gz DEAWLUFTJRZCFD-AWEZNQCLSA-N 1 1 254.418 2.611 50 0 CFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)CCc1ccccc1 ZINC000097515092 375568357 /nfs/dbraw/zinc/56/83/57/375568357.db2.gz ARBOYYAMJZPWNZ-CQSZACIVSA-N 1 1 255.365 2.582 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCCc1ccccc1F ZINC000097594846 375570190 /nfs/dbraw/zinc/57/01/90/375570190.db2.gz ZKXHKPWORVVVHG-MRXNPFEDSA-N 1 1 292.398 2.749 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1c(C)cccc1C ZINC000264615888 190123205 /nfs/dbraw/zinc/12/32/05/190123205.db2.gz GVXILKKSRRXXBQ-CQSZACIVSA-N 1 1 275.396 2.909 50 0 CFAAMO COc1ccc(C[N@H+](C)Cc2ccncc2)c(OC)c1 ZINC000129842672 377481827 /nfs/dbraw/zinc/48/18/27/377481827.db2.gz YULCUNHRYGVFBW-UHFFFAOYSA-N 1 1 272.348 2.731 50 0 CFAAMO COc1ccc(C[N@@H+](C)Cc2ccncc2)c(OC)c1 ZINC000129842672 377481837 /nfs/dbraw/zinc/48/18/37/377481837.db2.gz YULCUNHRYGVFBW-UHFFFAOYSA-N 1 1 272.348 2.731 50 0 CFAAMO CC(=O)Nc1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000132575812 377855536 /nfs/dbraw/zinc/85/55/36/377855536.db2.gz LAWZDABZYIZRFF-LLVKDONJSA-N 1 1 297.424 2.537 50 0 CFAAMO Cn1cc(CN2CCC[N@H+]([C@H]3CCC(C)(C)C3)CC2)cn1 ZINC000334320532 379088081 /nfs/dbraw/zinc/08/80/81/379088081.db2.gz ZYONHUWJSFYLND-INIZCTEOSA-N 1 1 290.455 2.507 50 0 CFAAMO O=C(Nc1ccncc1[O-])[C@H]1SCCc2sccc21 ZINC000170593636 379122575 /nfs/dbraw/zinc/12/25/75/379122575.db2.gz LOUPIHJRLPXIKW-LBPRGKRZSA-N 1 1 292.385 2.818 50 0 CFAAMO CC(C)COC[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000170599667 379125022 /nfs/dbraw/zinc/12/50/22/379125022.db2.gz PGFVWSUKTALBPE-STQMWFEESA-N 1 1 283.437 2.701 50 0 CFAAMO O[C@@H](C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000048543937 412908421 /nfs/dbraw/zinc/90/84/21/412908421.db2.gz TXSBXAHMPGSIFX-KRWDZBQOSA-N 1 1 271.335 2.917 50 0 CFAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CC2CC2)c1C ZINC000048580058 412911346 /nfs/dbraw/zinc/91/13/46/412911346.db2.gz WTIUNDHMPGDMEH-LLVKDONJSA-N 1 1 276.380 2.747 50 0 CFAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CC2CC2)c1C ZINC000048580058 412911351 /nfs/dbraw/zinc/91/13/51/412911351.db2.gz WTIUNDHMPGDMEH-LLVKDONJSA-N 1 1 276.380 2.747 50 0 CFAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CC2CC2)c1C ZINC000048580060 412911546 /nfs/dbraw/zinc/91/15/46/412911546.db2.gz WTIUNDHMPGDMEH-NSHDSACASA-N 1 1 276.380 2.747 50 0 CFAAMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CC2CC2)c1C ZINC000048580060 412911551 /nfs/dbraw/zinc/91/15/51/412911551.db2.gz WTIUNDHMPGDMEH-NSHDSACASA-N 1 1 276.380 2.747 50 0 CFAAMO Cc1ncc(CN2CC[NH+]([C@H]3C=CCCC3)CC2)s1 ZINC000171746005 379391961 /nfs/dbraw/zinc/39/19/61/379391961.db2.gz IIMITTOMKZAQRO-AWEZNQCLSA-N 1 1 277.437 2.678 50 0 CFAAMO Cc1nonc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268048647 190372755 /nfs/dbraw/zinc/37/27/55/190372755.db2.gz UAIQXCYEXSLKOW-GFCCVEGCSA-N 1 1 261.300 2.507 50 0 CFAAMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc3c[nH]nc3c1)C2 ZINC000289873368 381197605 /nfs/dbraw/zinc/19/76/05/381197605.db2.gz VVYSDISEGXUNBG-UHFFFAOYSA-N 1 1 285.391 2.954 50 0 CFAAMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nnc(C)o2)c1 ZINC000328587303 382549871 /nfs/dbraw/zinc/54/98/71/382549871.db2.gz XZAVMWHTUYPXKU-XHDPSFHLSA-N 1 1 287.363 2.970 50 0 CFAAMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nnc(C)o2)c1 ZINC000328587303 382549875 /nfs/dbraw/zinc/54/98/75/382549875.db2.gz XZAVMWHTUYPXKU-XHDPSFHLSA-N 1 1 287.363 2.970 50 0 CFAAMO CC(C)N1CC[NH+](C2CC(OCc3ccccc3)C2)CC1 ZINC000328595693 382551415 /nfs/dbraw/zinc/55/14/15/382551415.db2.gz ATWXNXQLHLZNQB-UHFFFAOYSA-N 1 1 288.435 2.760 50 0 CFAAMO C[C@H]1CC[N@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000390835076 382619584 /nfs/dbraw/zinc/61/95/84/382619584.db2.gz CCDQOCXZUHTZMX-UONOGXRCSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@H]1CC[N@@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000390835076 382619585 /nfs/dbraw/zinc/61/95/85/382619585.db2.gz CCDQOCXZUHTZMX-UONOGXRCSA-N 1 1 256.459 2.688 50 0 CFAAMO Nc1[nH+]c(-c2ccc(-c3ccccc3)cc2)cn1N ZINC000000500515 169657396 /nfs/dbraw/zinc/65/73/96/169657396.db2.gz IQTLDZWTHBSIKG-UHFFFAOYSA-N 1 1 250.305 2.513 50 0 CFAAMO C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000192709027 382711309 /nfs/dbraw/zinc/71/13/09/382711309.db2.gz JHGSRRKEWKZIDG-CYBMUJFWSA-N 1 1 275.392 2.747 50 0 CFAAMO Cn1cc(Cl)cc1C[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000193065811 382715110 /nfs/dbraw/zinc/71/51/10/382715110.db2.gz RFDZLDOCUZOQQQ-CQSZACIVSA-N 1 1 286.803 2.654 50 0 CFAAMO C[N@@H+](CC(=O)NCCCOC1CCCCC1)C1CCCC1 ZINC000194005377 382732314 /nfs/dbraw/zinc/73/23/14/382732314.db2.gz CXDCRWZPCQRFBA-UHFFFAOYSA-N 1 1 296.455 2.716 50 0 CFAAMO CCn1cnnc1C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000195553487 382769441 /nfs/dbraw/zinc/76/94/41/382769441.db2.gz LCRYYLWUFUOCDB-MLGOLLRUSA-N 1 1 270.380 2.630 50 0 CFAAMO Cc1nc2ccccc2nc1C[N@H+](C)C1CCOCC1 ZINC000215256790 382777878 /nfs/dbraw/zinc/77/78/78/382777878.db2.gz ZUXPBWIAWITXES-UHFFFAOYSA-N 1 1 271.364 2.549 50 0 CFAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)C1CCOCC1 ZINC000215170066 382778013 /nfs/dbraw/zinc/77/80/13/382778013.db2.gz IGMVWZAUHAJIDE-CYBMUJFWSA-N 1 1 291.391 2.705 50 0 CFAAMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1COCCO1 ZINC000215208660 382778125 /nfs/dbraw/zinc/77/81/25/382778125.db2.gz HFNKBDJWKAZZHR-CYBMUJFWSA-N 1 1 289.297 2.553 50 0 CFAAMO COc1cc(C[N@@H+](C)CCc2c(C)n[nH]c2C)ccc1F ZINC000215373455 382778480 /nfs/dbraw/zinc/77/84/80/382778480.db2.gz UWNAZAOJJYPMHH-UHFFFAOYSA-N 1 1 291.370 2.849 50 0 CFAAMO CC[N@H+]1CCC[C@H](CN2CC(Oc3ccccc3F)C2)C1 ZINC000215363829 382778493 /nfs/dbraw/zinc/77/84/93/382778493.db2.gz FLMJWJKXXCIOPE-AWEZNQCLSA-N 1 1 292.398 2.621 50 0 CFAAMO CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)co1 ZINC000215503028 382778861 /nfs/dbraw/zinc/77/88/61/382778861.db2.gz PAFXKMALTSBQES-CYBMUJFWSA-N 1 1 288.395 2.911 50 0 CFAAMO CC(C)c1nc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)co1 ZINC000215503028 382778863 /nfs/dbraw/zinc/77/88/63/382778863.db2.gz PAFXKMALTSBQES-CYBMUJFWSA-N 1 1 288.395 2.911 50 0 CFAAMO Cc1cc2nc(C[N@@H+](C)C[C@@H]3CCOC3)[nH]c2cc1C ZINC000215475712 382779037 /nfs/dbraw/zinc/77/90/37/382779037.db2.gz TVXOFQDCHTYPRP-ZDUSSCGKSA-N 1 1 273.380 2.648 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000215500580 382779191 /nfs/dbraw/zinc/77/91/91/382779191.db2.gz FZBRHBPZCGXCEF-LBPRGKRZSA-N 1 1 276.355 2.786 50 0 CFAAMO C[N@@H+](CCn1ccnc1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000215456074 382779227 /nfs/dbraw/zinc/77/92/27/382779227.db2.gz ZABCCFDRORCGFE-AWEZNQCLSA-N 1 1 291.420 2.928 50 0 CFAAMO CSc1ncc(C[NH+]2CCC(COC(C)C)CC2)cn1 ZINC000215465030 382779278 /nfs/dbraw/zinc/77/92/78/382779278.db2.gz QABSDFCYCRMORL-UHFFFAOYSA-N 1 1 295.452 2.836 50 0 CFAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000215574542 382779479 /nfs/dbraw/zinc/77/94/79/382779479.db2.gz KEJZDRHZSCKUCS-MRXNPFEDSA-N 1 1 288.778 2.829 50 0 CFAAMO CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890384 382780820 /nfs/dbraw/zinc/78/08/20/382780820.db2.gz LCRZPNVKXOTKBC-AWEZNQCLSA-N 1 1 271.408 2.942 50 0 CFAAMO CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890384 382780821 /nfs/dbraw/zinc/78/08/21/382780821.db2.gz LCRZPNVKXOTKBC-AWEZNQCLSA-N 1 1 271.408 2.942 50 0 CFAAMO CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890384 382780824 /nfs/dbraw/zinc/78/08/24/382780824.db2.gz LCRZPNVKXOTKBC-AWEZNQCLSA-N 1 1 271.408 2.942 50 0 CFAAMO CCN1CC[C@@H](C[N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890384 382780826 /nfs/dbraw/zinc/78/08/26/382780826.db2.gz LCRZPNVKXOTKBC-AWEZNQCLSA-N 1 1 271.408 2.942 50 0 CFAAMO CCN1CC[C@@H](C[N@@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890384 382780827 /nfs/dbraw/zinc/78/08/27/382780827.db2.gz LCRZPNVKXOTKBC-AWEZNQCLSA-N 1 1 271.408 2.942 50 0 CFAAMO Cc1nnc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]1 ZINC000215914543 382781386 /nfs/dbraw/zinc/78/13/86/382781386.db2.gz DJRLUDOTZUPGPS-MRXNPFEDSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000215914543 382781387 /nfs/dbraw/zinc/78/13/87/382781387.db2.gz DJRLUDOTZUPGPS-MRXNPFEDSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000215914543 382781388 /nfs/dbraw/zinc/78/13/88/382781388.db2.gz DJRLUDOTZUPGPS-MRXNPFEDSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000215914543 382781389 /nfs/dbraw/zinc/78/13/89/382781389.db2.gz DJRLUDOTZUPGPS-MRXNPFEDSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000215914543 382781390 /nfs/dbraw/zinc/78/13/90/382781390.db2.gz DJRLUDOTZUPGPS-MRXNPFEDSA-N 1 1 284.407 2.925 50 0 CFAAMO COCCC[C@H]1CCC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000216251447 382782588 /nfs/dbraw/zinc/78/25/88/382782588.db2.gz LYOYIVQKANSBSY-CQSZACIVSA-N 1 1 265.401 2.665 50 0 CFAAMO Cc1noc(C)c1CN(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216417257 382783434 /nfs/dbraw/zinc/78/34/34/382783434.db2.gz XDNVYWIHYWDLPD-UHFFFAOYSA-N 1 1 285.391 2.869 50 0 CFAAMO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1cscn1 ZINC000216518770 382784198 /nfs/dbraw/zinc/78/41/98/382784198.db2.gz PTBJQILDOHCALC-GFCCVEGCSA-N 1 1 261.394 2.910 50 0 CFAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC000216518770 382784199 /nfs/dbraw/zinc/78/41/99/382784199.db2.gz PTBJQILDOHCALC-GFCCVEGCSA-N 1 1 261.394 2.910 50 0 CFAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)s1 ZINC000220216517 382795320 /nfs/dbraw/zinc/79/53/20/382795320.db2.gz LSIAXCILCONQHL-ZJUUUORDSA-N 1 1 284.812 2.710 50 0 CFAAMO CCCn1c(C)c[nH+]c1CCNC(=O)c1ccc(C)s1 ZINC000575317714 382758179 /nfs/dbraw/zinc/75/81/79/382758179.db2.gz XZYSTPRBEKGVDY-UHFFFAOYSA-N 1 1 291.420 2.944 50 0 CFAAMO OCC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000229093549 382850588 /nfs/dbraw/zinc/85/05/88/382850588.db2.gz FKACIXYDVJEAQW-LSDHHAIUSA-N 1 1 283.799 2.610 50 0 CFAAMO CCC[N@H+]1CCCN(c2ncnc3c(C)csc32)CC1 ZINC000225456138 382816201 /nfs/dbraw/zinc/81/62/01/382816201.db2.gz OKUHZZABTMGEID-UHFFFAOYSA-N 1 1 290.436 2.922 50 0 CFAAMO O=C(c1ccoc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225687280 382820686 /nfs/dbraw/zinc/82/06/86/382820686.db2.gz DVNCGLZVUOIFFX-QGZVFWFLSA-N 1 1 296.370 2.552 50 0 CFAAMO c1ccc2oc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000225725273 382821065 /nfs/dbraw/zinc/82/10/65/382821065.db2.gz IHURGJULAVSZMF-AAEUAGOBSA-N 1 1 257.337 2.867 50 0 CFAAMO CCc1noc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000229447780 382851653 /nfs/dbraw/zinc/85/16/53/382851653.db2.gz YOHFBHJZGXCLHC-TZMCWYRMSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1noc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000229447780 382851654 /nfs/dbraw/zinc/85/16/54/382851654.db2.gz YOHFBHJZGXCLHC-TZMCWYRMSA-N 1 1 286.379 2.879 50 0 CFAAMO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720651 382852966 /nfs/dbraw/zinc/85/29/66/382852966.db2.gz OFZKNLACSBIPCF-GOEBONIOSA-N 1 1 274.408 2.637 50 0 CFAAMO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000229838797 382853682 /nfs/dbraw/zinc/85/36/82/382853682.db2.gz MCELIRJKBGHNNR-SJORKVTESA-N 1 1 288.435 2.710 50 0 CFAAMO Cn1nccc1CC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000241466171 382983859 /nfs/dbraw/zinc/98/38/59/382983859.db2.gz NVFTWMLIRHOSIU-SFHVURJKSA-N 1 1 298.434 2.563 50 0 CFAAMO Cc1nc(CCN(C)C[C@H]2CC[N@@H+](C)C2(C)C)cs1 ZINC000244646878 382989826 /nfs/dbraw/zinc/98/98/26/382989826.db2.gz GQTSUHOVRRIUEJ-CYBMUJFWSA-N 1 1 281.469 2.656 50 0 CFAAMO COCCn1cncc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000244707785 382991694 /nfs/dbraw/zinc/99/16/94/382991694.db2.gz KHNODJBQSFMWAB-GFCCVEGCSA-N 1 1 279.409 2.784 50 0 CFAAMO COCCn1cncc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000244707785 382991700 /nfs/dbraw/zinc/99/17/00/382991700.db2.gz KHNODJBQSFMWAB-GFCCVEGCSA-N 1 1 279.409 2.784 50 0 CFAAMO C[N@H+](CCc1nc2ccccc2[nH]1)Cc1nccs1 ZINC000244794673 382992395 /nfs/dbraw/zinc/99/23/95/382992395.db2.gz QRIIFQDFFAMLPG-UHFFFAOYSA-N 1 1 272.377 2.694 50 0 CFAAMO C[N@@H+](CCc1nc2ccccc2[nH]1)Cc1nccs1 ZINC000244794673 382992408 /nfs/dbraw/zinc/99/24/08/382992408.db2.gz QRIIFQDFFAMLPG-UHFFFAOYSA-N 1 1 272.377 2.694 50 0 CFAAMO CCC1=NO[C@@H](CN(C)Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000244884400 382994098 /nfs/dbraw/zinc/99/40/98/382994098.db2.gz YLSHENCVOFEDBB-GFCCVEGCSA-N 1 1 290.342 2.689 50 0 CFAAMO Cc1nnc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000245316823 382997653 /nfs/dbraw/zinc/99/76/53/382997653.db2.gz KRXPEHWZHYLIAU-MFKMUULPSA-N 1 1 275.327 2.895 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)c1cccnc1 ZINC000247942021 383201043 /nfs/dbraw/zinc/20/10/43/383201043.db2.gz NRNAWPNJVANNJB-XOKHGSTOSA-N 1 1 287.407 2.618 50 0 CFAAMO C[NH+](C)[C@H]1CCCN(CCCc2ccco2)CC1 ZINC000252503964 383415334 /nfs/dbraw/zinc/41/53/34/383415334.db2.gz VHNNLUGNNNTFQU-AWEZNQCLSA-N 1 1 250.386 2.628 50 0 CFAAMO C[C@]1(O)C[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)C[C@H]1O ZINC000252014566 383403732 /nfs/dbraw/zinc/40/37/32/383403732.db2.gz VAKBKORICCUVPK-QRVBRYPASA-N 1 1 297.398 2.746 50 0 CFAAMO CC1(C)C[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000426668274 383409074 /nfs/dbraw/zinc/40/90/74/383409074.db2.gz IASQXXYOJKRDKF-AWEZNQCLSA-N 1 1 299.374 2.513 50 0 CFAAMO O=C1CCCN1CC[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000252487699 383412934 /nfs/dbraw/zinc/41/29/34/383412934.db2.gz IACZLKFIBGVHIU-INIZCTEOSA-N 1 1 290.382 2.975 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccco1 ZINC000249694647 383356963 /nfs/dbraw/zinc/35/69/63/383356963.db2.gz PKSJFPMRHJWCKP-JKSUJKDBSA-N 1 1 290.407 2.688 50 0 CFAAMO CCc1ccc(CN2CC([N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000252500715 383413972 /nfs/dbraw/zinc/41/39/72/383413972.db2.gz TUNRPBGOPLDQCJ-CQSZACIVSA-N 1 1 273.424 2.703 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N(C)C1CCCC1 ZINC000253395149 383454161 /nfs/dbraw/zinc/45/41/61/383454161.db2.gz NRYQQJNAMLSUHL-HNNXBMFYSA-N 1 1 290.411 2.650 50 0 CFAAMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCn1ccnc1 ZINC000289357427 197310751 /nfs/dbraw/zinc/31/07/51/197310751.db2.gz GVKWFWSACJUPDB-INIZCTEOSA-N 1 1 273.380 2.975 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280348902 384984067 /nfs/dbraw/zinc/98/40/67/384984067.db2.gz IEGMFNHXAZMZLV-IIAWOOMASA-N 1 1 261.365 2.627 50 0 CFAAMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000288567069 197113623 /nfs/dbraw/zinc/11/36/23/197113623.db2.gz AXSQPVCOUUYHFC-KBPBESRZSA-N 1 1 286.375 2.934 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648790 256868043 /nfs/dbraw/zinc/86/80/43/256868043.db2.gz RIJFNUHYNBVLOZ-UKTARXLSSA-N 1 1 284.359 2.655 50 0 CFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1cnc3ccccc3n1)C2 ZINC000095390078 184963461 /nfs/dbraw/zinc/96/34/61/184963461.db2.gz YWRAULDSKRQJKH-HUUCEWRRSA-N 1 1 296.418 2.940 50 0 CFAAMO COc1ccc([C@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000095420560 184975292 /nfs/dbraw/zinc/97/52/92/184975292.db2.gz OGSFVHJTUPUMBU-BLLLJJGKSA-N 1 1 262.397 2.686 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000006007722 393462370 /nfs/dbraw/zinc/46/23/70/393462370.db2.gz DBEVPZXXAIKVSS-OKILXGFUSA-N 1 1 266.429 2.803 50 0 CFAAMO C(C1CCC2(CC1)OCCO2)[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000190191350 393578506 /nfs/dbraw/zinc/57/85/06/393578506.db2.gz KUKWPYSPMSHOFF-JKSUJKDBSA-N 1 1 295.423 2.563 50 0 CFAAMO CC(C)[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CCOCC1 ZINC000077323793 393697174 /nfs/dbraw/zinc/69/71/74/393697174.db2.gz GOXLWVDPLJJINO-ZBFHGGJFSA-N 1 1 296.455 2.571 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000218959707 393759433 /nfs/dbraw/zinc/75/94/33/393759433.db2.gz ZJXQGAXXZOVGMP-KBMXLJTQSA-N 1 1 278.440 2.898 50 0 CFAAMO C[N@H+]1CC[C@H]2CN(C(=O)CCCCc3ccccc3)C[C@H]21 ZINC000220001897 393761114 /nfs/dbraw/zinc/76/11/14/393761114.db2.gz XKWCOKPBTWACGP-DLBZAZTESA-N 1 1 286.419 2.562 50 0 CFAAMO CCCCN(C)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095381092 393811614 /nfs/dbraw/zinc/81/16/14/393811614.db2.gz BXHUVMZWHQTWGC-CQSZACIVSA-N 1 1 266.360 2.687 50 0 CFAAMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)nc1 ZINC000095981736 393814078 /nfs/dbraw/zinc/81/40/78/393814078.db2.gz OUZCXDXBGQQGQH-GOEBONIOSA-N 1 1 270.380 2.670 50 0 CFAAMO CC(C)c1nn(C)cc1C[N@@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000095987309 393814778 /nfs/dbraw/zinc/81/47/78/393814778.db2.gz YUGWOWQRQMPQTR-AEFFLSMTSA-N 1 1 299.418 2.634 50 0 CFAAMO CCOCC[N@H+]1CCN(C/C=C\c2ccccc2)C[C@@H]1C ZINC000096295237 393818349 /nfs/dbraw/zinc/81/83/49/393818349.db2.gz QGSPMAVROBEOBD-JEZWAEDTSA-N 1 1 288.435 2.742 50 0 CFAAMO C/C=C/C=C\C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000096401546 393820664 /nfs/dbraw/zinc/82/06/64/393820664.db2.gz HXAJAKSCIYLHOR-VAIMCSMNSA-N 1 1 284.403 2.683 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000252453048 393935012 /nfs/dbraw/zinc/93/50/12/393935012.db2.gz YLLDNFBWFYNMME-YOEHRIQHSA-N 1 1 286.419 2.912 50 0 CFAAMO Clc1ccc2c(c1)C[N@H+](C[C@H]1CCCOC1)CCO2 ZINC000252510106 393937222 /nfs/dbraw/zinc/93/72/22/393937222.db2.gz ZBLQPZZJSPRXBX-GFCCVEGCSA-N 1 1 281.783 2.961 50 0 CFAAMO O=c1oc2ccccc2n1CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000044977892 397571390 /nfs/dbraw/zinc/57/13/90/397571390.db2.gz WRMMAWBAGZHMEH-AWEZNQCLSA-N 1 1 297.358 2.760 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000046857473 397582708 /nfs/dbraw/zinc/58/27/08/397582708.db2.gz QFJKRIBSYITRKW-PWSUYJOCSA-N 1 1 293.238 2.561 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CC(C)(C)C)ccn1 ZINC000047013184 397583840 /nfs/dbraw/zinc/58/38/40/397583840.db2.gz WZSFQUOWHLNARH-UHFFFAOYSA-N 1 1 286.379 2.628 50 0 CFAAMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000047980950 397589167 /nfs/dbraw/zinc/58/91/67/397589167.db2.gz CUGDSFBTDRSBOK-OAHLLOKOSA-N 1 1 290.382 2.564 50 0 CFAAMO Cc1cc(C)nc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000108474925 397597995 /nfs/dbraw/zinc/59/79/95/397597995.db2.gz PJCCZRKVSFOUIU-OCCSQVGLSA-N 1 1 290.411 2.502 50 0 CFAAMO Cc1nnc(NC[C@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000825296665 782008220 /nfs/dbraw/zinc/00/82/20/782008220.db2.gz GKIQXLZUAWFHPI-LLVKDONJSA-N 1 1 266.414 2.523 50 0 CFAAMO CSCC[C@@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000095968199 286670145 /nfs/dbraw/zinc/67/01/45/286670145.db2.gz SQQPNWNQFZLKLN-CYBMUJFWSA-N 1 1 258.475 2.838 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2C=O)C1 ZINC000004842558 170029069 /nfs/dbraw/zinc/02/90/69/170029069.db2.gz MQNFBPLVEPWWGY-HNNXBMFYSA-N 1 1 291.391 2.626 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)c2ccc(Br)cc2)C1 ZINC000004898901 170037964 /nfs/dbraw/zinc/03/79/64/170037964.db2.gz FPMRLLRMQAZJHO-GFCCVEGCSA-N 1 1 298.180 2.700 50 0 CFAAMO O=C(C[NH+]1CCCCCC1)Nc1ccc(F)cc1F ZINC000004968566 170046770 /nfs/dbraw/zinc/04/67/70/170046770.db2.gz RIEXHWNKFALTPY-UHFFFAOYSA-N 1 1 268.307 2.779 50 0 CFAAMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000005446865 170099731 /nfs/dbraw/zinc/09/97/31/170099731.db2.gz VXWCVTFAHVMOOZ-GOEBONIOSA-N 1 1 277.408 2.775 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006008012 170167939 /nfs/dbraw/zinc/16/79/39/170167939.db2.gz YETMFMQJTSAUTL-LBPRGKRZSA-N 1 1 274.364 2.560 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006008012 170167940 /nfs/dbraw/zinc/16/79/40/170167940.db2.gz YETMFMQJTSAUTL-LBPRGKRZSA-N 1 1 274.364 2.560 50 0 CFAAMO CC[N@@H+](Cc1cn2cccnc2n1)C1CCCCC1 ZINC000006483229 170205077 /nfs/dbraw/zinc/20/50/77/170205077.db2.gz KZMUGPFWVXOUGC-UHFFFAOYSA-N 1 1 258.369 2.884 50 0 CFAAMO COc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000006731083 170235478 /nfs/dbraw/zinc/23/54/78/170235478.db2.gz IFAVUKIIXHMDDE-GFCCVEGCSA-N 1 1 262.353 2.508 50 0 CFAAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccnc2Cl)C1 ZINC000007063204 170265673 /nfs/dbraw/zinc/26/56/73/170265673.db2.gz HZXGDPTXHFMWAS-GHMZBOCLSA-N 1 1 281.787 2.651 50 0 CFAAMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000007380716 170281366 /nfs/dbraw/zinc/28/13/66/170281366.db2.gz CVYXKCXVVRPKRK-CYBMUJFWSA-N 1 1 260.381 2.566 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1F)[NH+]1CCC(C)CC1 ZINC000007389270 170282539 /nfs/dbraw/zinc/28/25/39/170282539.db2.gz KRIZMZCFCMPSBY-LBPRGKRZSA-N 1 1 264.344 2.885 50 0 CFAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000008118969 170319699 /nfs/dbraw/zinc/31/96/99/170319699.db2.gz PBTYUZWEEGFHQY-CYBMUJFWSA-N 1 1 276.380 2.817 50 0 CFAAMO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000008126997 170320036 /nfs/dbraw/zinc/32/00/36/170320036.db2.gz OQCMPBRPYLGKRN-INIZCTEOSA-N 1 1 274.408 2.768 50 0 CFAAMO C[NH2+]CCCNCc1ccc(OCc2ccccc2)cc1 ZINC000008377105 170333646 /nfs/dbraw/zinc/33/36/46/170333646.db2.gz GBQORNGICCDZBP-UHFFFAOYSA-N 1 1 284.403 2.965 50 0 CFAAMO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@H]1CO ZINC000008553363 170340022 /nfs/dbraw/zinc/34/00/22/170340022.db2.gz BRNHCAQZRAUXMI-OCCSQVGLSA-N 1 1 251.345 2.604 50 0 CFAAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000009997218 170394367 /nfs/dbraw/zinc/39/43/67/170394367.db2.gz IHEMLVHFMUGUSJ-GHMZBOCLSA-N 1 1 282.334 2.881 50 0 CFAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H](C)O1 ZINC000013425534 170549873 /nfs/dbraw/zinc/54/98/73/170549873.db2.gz ZYEQBWIZWOSDMQ-TXEJJXNPSA-N 1 1 296.798 2.778 50 0 CFAAMO Cc1ccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)cc1 ZINC000020246030 171099405 /nfs/dbraw/zinc/09/94/05/171099405.db2.gz DRROKIHKVCBLCS-UHFFFAOYSA-N 1 1 278.359 2.866 50 0 CFAAMO CCN1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000022077645 171352648 /nfs/dbraw/zinc/35/26/48/171352648.db2.gz FPQOGANUUOVALW-CYBMUJFWSA-N 1 1 250.386 2.719 50 0 CFAAMO Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCNCC1 ZINC000022122418 171353713 /nfs/dbraw/zinc/35/37/13/171353713.db2.gz IZNRYBFUKJNNLH-SFHVURJKSA-N 1 1 266.388 2.990 50 0 CFAAMO C[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000037227775 173047904 /nfs/dbraw/zinc/04/79/04/173047904.db2.gz OFOCZDFREVXPSD-OAHLLOKOSA-N 1 1 294.398 2.922 50 0 CFAAMO C[C@@H](NC(=O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000037227775 173047905 /nfs/dbraw/zinc/04/79/05/173047905.db2.gz OFOCZDFREVXPSD-OAHLLOKOSA-N 1 1 294.398 2.922 50 0 CFAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCC[C@H]1C ZINC000040009435 174182551 /nfs/dbraw/zinc/18/25/51/174182551.db2.gz DDAZDALYJHJOLG-MCIONIFRSA-N 1 1 252.402 2.650 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)c2cc(F)ccc2F)C1 ZINC000040107584 174191974 /nfs/dbraw/zinc/19/19/74/174191974.db2.gz LQAYDMMFIIEPIX-TXEJJXNPSA-N 1 1 296.361 2.673 50 0 CFAAMO Nc1c(Cl)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043665714 175086627 /nfs/dbraw/zinc/08/66/27/175086627.db2.gz PRPMMHCYSZZNSB-LBPRGKRZSA-N 1 1 276.771 2.566 50 0 CFAAMO COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533348 175197344 /nfs/dbraw/zinc/19/73/44/175197344.db2.gz VFETUJSFKPCWAY-GJZGRUSLSA-N 1 1 276.424 2.558 50 0 CFAAMO CCOc1ccccc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000044535887 175198813 /nfs/dbraw/zinc/19/88/13/175198813.db2.gz QTZNUQMUTCJDFA-AWEZNQCLSA-N 1 1 262.397 2.517 50 0 CFAAMO CCOc1ccccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044535887 175198818 /nfs/dbraw/zinc/19/88/18/175198818.db2.gz QTZNUQMUTCJDFA-AWEZNQCLSA-N 1 1 262.397 2.517 50 0 CFAAMO CCC[N@@H+](C[C@@H](O)COCc1ccccc1F)CC1CC1 ZINC000046342110 175395679 /nfs/dbraw/zinc/39/56/79/175395679.db2.gz NBKFGAZKOSYAIQ-MRXNPFEDSA-N 1 1 295.398 2.825 50 0 CFAAMO CC[NH+](CC)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000048331551 175427923 /nfs/dbraw/zinc/42/79/23/175427923.db2.gz GMQOLELLNZGCFT-LLVKDONJSA-N 1 1 286.383 2.600 50 0 CFAAMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000066473924 175759835 /nfs/dbraw/zinc/75/98/35/175759835.db2.gz LFJKGOXLRFGBGR-XHSDSOJGSA-N 1 1 296.455 2.572 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccnc(C(C)C)n3)C2)n1 ZINC000071746772 176258822 /nfs/dbraw/zinc/25/88/22/176258822.db2.gz QJVCBSFKKKSXAJ-INIZCTEOSA-N 1 1 299.422 2.860 50 0 CFAAMO c1ccc([C@@H]2C[N@H+](CCc3ccncc3)CCO2)cc1 ZINC000071804920 176267000 /nfs/dbraw/zinc/26/70/00/176267000.db2.gz LCQXLHHNVVSKDD-KRWDZBQOSA-N 1 1 268.360 2.698 50 0 CFAAMO c1ccc([C@@H]2C[N@@H+](CCc3ccncc3)CCO2)cc1 ZINC000071804920 176267001 /nfs/dbraw/zinc/26/70/01/176267001.db2.gz LCQXLHHNVVSKDD-KRWDZBQOSA-N 1 1 268.360 2.698 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)C2(c3ccccc3)CC2)C1 ZINC000071837414 176274083 /nfs/dbraw/zinc/27/40/83/176274083.db2.gz MJSIFMZTTCULHY-OAHLLOKOSA-N 1 1 286.419 2.565 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000071870703 176283742 /nfs/dbraw/zinc/28/37/42/176283742.db2.gz LMRAAHMLZFXBKZ-HUUCEWRRSA-N 1 1 287.407 2.965 50 0 CFAAMO CCC(C)(C)[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000071915678 176299326 /nfs/dbraw/zinc/29/93/26/176299326.db2.gz FWQRAKDIFIOJFT-UHFFFAOYSA-N 1 1 299.436 2.589 50 0 CFAAMO CCN1CCC([NH2+]C/C=C/c2ccccc2OC)CC1 ZINC000071924519 176301784 /nfs/dbraw/zinc/30/17/84/176301784.db2.gz WDLJWZYNKVDFSV-SOFGYWHQSA-N 1 1 274.408 2.782 50 0 CFAAMO CC[NH+]1CCC(NC/C=C/c2ccccc2OC)CC1 ZINC000071924519 176301785 /nfs/dbraw/zinc/30/17/85/176301785.db2.gz WDLJWZYNKVDFSV-SOFGYWHQSA-N 1 1 274.408 2.782 50 0 CFAAMO CC(C)(CNc1cc[nH+]c2cc(Cl)ccc12)C(N)=O ZINC000071955471 176304281 /nfs/dbraw/zinc/30/42/81/176304281.db2.gz WEVJQCXWBPQSBN-UHFFFAOYSA-N 1 1 277.755 2.812 50 0 CFAAMO CCc1[nH+]c(C)cn1Cc1nc(-c2cccs2)no1 ZINC000072156185 176328508 /nfs/dbraw/zinc/32/85/08/176328508.db2.gz FMJUETBZDONBBF-UHFFFAOYSA-N 1 1 274.349 2.914 50 0 CFAAMO CSCc1noc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)n1 ZINC000072162490 176330082 /nfs/dbraw/zinc/33/00/82/176330082.db2.gz SRLYHZADJBUPBU-BPNZPQAUSA-N 1 1 293.436 2.801 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2nc3ccccc3n2C)C1 ZINC000072170195 176332558 /nfs/dbraw/zinc/33/25/58/176332558.db2.gz XFNKKNLKGIDAOE-CQSZACIVSA-N 1 1 298.434 2.632 50 0 CFAAMO Cc1cnn(CCC[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000072171392 176333270 /nfs/dbraw/zinc/33/32/70/176333270.db2.gz HHMFXRSOLUEIEL-MRXNPFEDSA-N 1 1 270.380 2.814 50 0 CFAAMO C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072272801 176355141 /nfs/dbraw/zinc/35/51/41/176355141.db2.gz UXUSCXCCMLCGJF-JSGCOSHPSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072272801 176355142 /nfs/dbraw/zinc/35/51/42/176355142.db2.gz UXUSCXCCMLCGJF-JSGCOSHPSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072272801 176355144 /nfs/dbraw/zinc/35/51/44/176355144.db2.gz UXUSCXCCMLCGJF-JSGCOSHPSA-N 1 1 256.353 2.745 50 0 CFAAMO Cc1ncsc1CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072291814 176362197 /nfs/dbraw/zinc/36/21/97/176362197.db2.gz SGWBXSQYBSBJLT-GFCCVEGCSA-N 1 1 276.409 2.597 50 0 CFAAMO Cc1ncsc1CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072291814 176362199 /nfs/dbraw/zinc/36/21/99/176362199.db2.gz SGWBXSQYBSBJLT-GFCCVEGCSA-N 1 1 276.409 2.597 50 0 CFAAMO Cc1ncsc1CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072291814 176362202 /nfs/dbraw/zinc/36/22/02/176362202.db2.gz SGWBXSQYBSBJLT-GFCCVEGCSA-N 1 1 276.409 2.597 50 0 CFAAMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC2(CC1)OCCO2 ZINC000072310601 176366884 /nfs/dbraw/zinc/36/68/84/176366884.db2.gz CSYCWBJGBVCKCP-GFCCVEGCSA-N 1 1 294.395 2.872 50 0 CFAAMO CC[C@H](CNc1cc(C)nc2c(C)c(C)nn21)[N@@H+](C)CC ZINC000072432555 176402811 /nfs/dbraw/zinc/40/28/11/176402811.db2.gz RANPUAVRXYXUEM-CQSZACIVSA-N 1 1 289.427 2.797 50 0 CFAAMO CC(C)c1noc([C@@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000077379746 177260293 /nfs/dbraw/zinc/26/02/93/177260293.db2.gz FXJABPWKXXHOPA-AWEZNQCLSA-N 1 1 286.379 2.968 50 0 CFAAMO CC(C)c1noc([C@@H]2CCC[N@H+]2CCc2ccccn2)n1 ZINC000077379746 177260295 /nfs/dbraw/zinc/26/02/95/177260295.db2.gz FXJABPWKXXHOPA-AWEZNQCLSA-N 1 1 286.379 2.968 50 0 CFAAMO Cc1oc(-c2ccco2)nc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000078551498 177353232 /nfs/dbraw/zinc/35/32/32/177353232.db2.gz SGKWYRQEFLRSNU-LLVKDONJSA-N 1 1 278.352 2.834 50 0 CFAAMO CC1(C)C[C@]1(CNc1cc(N)[nH+]cn1)c1ccccc1 ZINC000827593182 782037871 /nfs/dbraw/zinc/03/78/71/782037871.db2.gz RCUZOQPPPPUJFS-INIZCTEOSA-N 1 1 268.364 2.839 50 0 CFAAMO CC1(C)C[C@]1(CNc1cc(N)nc[nH+]1)c1ccccc1 ZINC000827593182 782037881 /nfs/dbraw/zinc/03/78/81/782037881.db2.gz RCUZOQPPPPUJFS-INIZCTEOSA-N 1 1 268.364 2.839 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470304 274286439 /nfs/dbraw/zinc/28/64/39/274286439.db2.gz IUVKFZVETVUELB-KGLIPLIRSA-N 1 1 292.402 2.707 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000241965700 276373293 /nfs/dbraw/zinc/37/32/93/276373293.db2.gz UVAUSNQMFWZRRF-PMPSAXMXSA-N 1 1 290.382 2.530 50 0 CFAAMO C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000071376041 277052957 /nfs/dbraw/zinc/05/29/57/277052957.db2.gz DRDTZVQFUXXXKQ-GDBMZVCRSA-N 1 1 272.392 2.522 50 0 CFAAMO C[N@@H+]1CCC[C@H](c2cccc(Br)n2)C1 ZINC000072343813 277074699 /nfs/dbraw/zinc/07/46/99/277074699.db2.gz DUUDICNQWLSBAO-VIFPVBQESA-N 1 1 255.159 2.653 50 0 CFAAMO C[N@H+]1CCC[C@H](c2cccc(Br)n2)C1 ZINC000072343813 277074700 /nfs/dbraw/zinc/07/47/00/277074700.db2.gz DUUDICNQWLSBAO-VIFPVBQESA-N 1 1 255.159 2.653 50 0 CFAAMO C[C@@H](C[N@@H+]1CCn2cnnc2C1)c1cccc(Cl)c1 ZINC000170087063 278266497 /nfs/dbraw/zinc/26/64/97/278266497.db2.gz AHVYOJGTVVBNHP-NSHDSACASA-N 1 1 276.771 2.551 50 0 CFAAMO C[C@@H](C[N@H+]1CCn2cnnc2C1)c1cccc(Cl)c1 ZINC000170087063 278266500 /nfs/dbraw/zinc/26/65/00/278266500.db2.gz AHVYOJGTVVBNHP-NSHDSACASA-N 1 1 276.771 2.551 50 0 CFAAMO C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)[NH+]1CCSCC1 ZINC000230175221 279213444 /nfs/dbraw/zinc/21/34/44/279213444.db2.gz LVCQIEQWKCOTGW-APIJFGDWSA-N 1 1 296.480 2.603 50 0 CFAAMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000012936503 280136245 /nfs/dbraw/zinc/13/62/45/280136245.db2.gz MKZDYEBYAOSKTK-NSHDSACASA-N 1 1 286.400 2.966 50 0 CFAAMO Cc1nc[nH]c1C[N@@H+](C)[C@@H](c1ccccn1)C1CC1 ZINC000244707950 280187399 /nfs/dbraw/zinc/18/73/99/280187399.db2.gz KKRQDLSKJSYYLU-OAHLLOKOSA-N 1 1 256.353 2.696 50 0 CFAAMO Cc1nc[nH]c1C[N@H+](C)[C@@H](c1ccccn1)C1CC1 ZINC000244707950 280187402 /nfs/dbraw/zinc/18/74/02/280187402.db2.gz KKRQDLSKJSYYLU-OAHLLOKOSA-N 1 1 256.353 2.696 50 0 CFAAMO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000071915613 281017775 /nfs/dbraw/zinc/01/77/75/281017775.db2.gz AMJHPRONRAQGES-MRXNPFEDSA-N 1 1 296.361 2.970 50 0 CFAAMO CC[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(C(C)=O)CC1 ZINC000071915613 281017776 /nfs/dbraw/zinc/01/77/76/281017776.db2.gz AMJHPRONRAQGES-MRXNPFEDSA-N 1 1 296.361 2.970 50 0 CFAAMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCC3)[C@@H](C)C2 ZINC000183858825 281121694 /nfs/dbraw/zinc/12/16/94/281121694.db2.gz UNFPNOWCARNBEW-SCLBCKFNSA-N 1 1 296.418 2.946 50 0 CFAAMO Cc1nc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)oc1C ZINC000096485277 293260813 /nfs/dbraw/zinc/26/08/13/293260813.db2.gz MQFDGXMSVBZUTD-KGLIPLIRSA-N 1 1 296.436 2.778 50 0 CFAAMO Cc1nc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)oc1C ZINC000096485277 293260816 /nfs/dbraw/zinc/26/08/16/293260816.db2.gz MQFDGXMSVBZUTD-KGLIPLIRSA-N 1 1 296.436 2.778 50 0 CFAAMO CN(C)CC(C)(C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000280600 327636889 /nfs/dbraw/zinc/63/68/89/327636889.db2.gz XTEMEOMVCBTCNK-UHFFFAOYSA-N 1 1 264.457 2.989 50 0 CFAAMO Cc1csc(C[N@@H+](C)CCCc2cccnc2)n1 ZINC000243914936 328042001 /nfs/dbraw/zinc/04/20/01/328042001.db2.gz BKWUAUAEEIOHAM-UHFFFAOYSA-N 1 1 261.394 2.911 50 0 CFAAMO CO[C@H]1CCC[N@@H+](Cc2cncn2C2CCCCC2)C1 ZINC000243957116 328042212 /nfs/dbraw/zinc/04/22/12/328042212.db2.gz CFZLCLKTHNMEAP-INIZCTEOSA-N 1 1 277.412 2.999 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)CCC(F)(F)F)CCCC1 ZINC000534646546 328330119 /nfs/dbraw/zinc/33/01/19/328330119.db2.gz BLKOKJTXDWIPNK-UHFFFAOYSA-N 1 1 280.334 2.710 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccon1)c1cccc(-n2ccnc2)c1 ZINC000189909955 324034817 /nfs/dbraw/zinc/03/48/17/324034817.db2.gz KNJSKUFMBNCFDI-GFCCVEGCSA-N 1 1 268.320 2.711 50 0 CFAAMO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000058203394 327010371 /nfs/dbraw/zinc/01/03/71/327010371.db2.gz IBZVLBTZAKOFKK-ZDUSSCGKSA-N 1 1 291.395 2.547 50 0 CFAAMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1=CCCCC1 ZINC000098013169 533895112 /nfs/dbraw/zinc/89/51/12/533895112.db2.gz HQINMAFRBSYHGB-ZFWWWQNUSA-N 1 1 264.413 2.676 50 0 CFAAMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1nccn1C ZINC000195515419 534124121 /nfs/dbraw/zinc/12/41/21/534124121.db2.gz XRWJUCOMPWDIPV-OAHLLOKOSA-N 1 1 285.391 2.636 50 0 CFAAMO CC[N@@H+](CCCCO)Cc1cccc2ncccc12 ZINC000222577091 528432885 /nfs/dbraw/zinc/43/28/85/528432885.db2.gz UAFGEZRLPFXBGY-UHFFFAOYSA-N 1 1 258.365 2.829 50 0 CFAAMO CC[C@@H](C(=O)N1CCC2(CCCC2)C1)[N@@H+](C)CC ZINC000952976367 615369197 /nfs/dbraw/zinc/36/91/97/615369197.db2.gz KEEFWWQVCNKIKP-ZDUSSCGKSA-N 1 1 252.402 2.509 50 0 CFAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC000176775630 618151576 /nfs/dbraw/zinc/15/15/76/618151576.db2.gz VJMJWRAQXJMSCJ-LLVKDONJSA-N 1 1 295.452 2.655 50 0 CFAAMO CCc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000156815409 618153045 /nfs/dbraw/zinc/15/30/45/618153045.db2.gz FSACVWVKNMGHGJ-CQSZACIVSA-N 1 1 294.464 2.607 50 0 CFAAMO CCc1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)s1 ZINC000156815409 618153046 /nfs/dbraw/zinc/15/30/46/618153046.db2.gz FSACVWVKNMGHGJ-CQSZACIVSA-N 1 1 294.464 2.607 50 0 CFAAMO CCCC[N@@H+](C)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000019635141 618789442 /nfs/dbraw/zinc/78/94/42/618789442.db2.gz VDHMHJXYDJYIHY-UHFFFAOYSA-N 1 1 287.407 2.716 50 0 CFAAMO CC1(C)CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000171924993 623249147 /nfs/dbraw/zinc/24/91/47/623249147.db2.gz BMCHDHSUVJGORO-UHFFFAOYSA-N 1 1 256.349 2.903 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1ccnc2ccccc12 ZINC000000212843 623602126 /nfs/dbraw/zinc/60/21/26/623602126.db2.gz YZRUHBAGSMUSCT-CQSZACIVSA-N 1 1 256.349 2.582 50 0 CFAAMO CN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153497364 623990370 /nfs/dbraw/zinc/99/03/70/623990370.db2.gz ASFBNENIWKGGNF-LLVKDONJSA-N 1 1 295.452 2.607 50 0 CFAAMO CC[C@@H](OC)C(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000952971466 626115273 /nfs/dbraw/zinc/11/52/73/626115273.db2.gz SIGUGUMTUNFLLG-OAHLLOKOSA-N 1 1 287.363 2.603 50 0 CFAAMO Cn1ccc2ccc(C[N@H+]3CC[C@@H](C(C)(C)O)C3)cc21 ZINC000670449152 626408256 /nfs/dbraw/zinc/40/82/56/626408256.db2.gz WGTGYQYSDDWEAM-OAHLLOKOSA-N 1 1 272.392 2.771 50 0 CFAAMO CC(C)(O)C[N@@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000811491273 631570357 /nfs/dbraw/zinc/57/03/57/631570357.db2.gz FJSGZPFJJCKJEE-UHFFFAOYSA-N 1 1 259.393 2.637 50 0 CFAAMO C[C@H]([NH2+]C/C=C/c1ccccc1)c1nnc2n1CCCC2 ZINC000084667981 650777662 /nfs/dbraw/zinc/77/76/62/650777662.db2.gz RKNUAASGELULOF-RNVIBTMRSA-N 1 1 282.391 2.978 50 0 CFAAMO Cc1nc(C[NH2+]Cc2ccc3c(c2)nc(C)n3C)n(C)c1C ZINC000952968023 650790187 /nfs/dbraw/zinc/79/01/87/650790187.db2.gz JBIFZYNZKLDJSI-UHFFFAOYSA-N 1 1 297.406 2.522 50 0 CFAAMO Cc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000016192819 651242284 /nfs/dbraw/zinc/24/22/84/651242284.db2.gz QLCQXQJIPIWQHA-GASCZTMLSA-N 1 1 263.381 2.791 50 0 CFAAMO Cc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000016192819 651242286 /nfs/dbraw/zinc/24/22/86/651242286.db2.gz QLCQXQJIPIWQHA-GASCZTMLSA-N 1 1 263.381 2.791 50 0 CFAAMO C[C@]1(CO)CCC[N@@H+](Cc2cccc(-c3ncc[nH]3)c2)C1 ZINC000020587300 651299785 /nfs/dbraw/zinc/29/97/85/651299785.db2.gz BHRLTQPAZLROSW-KRWDZBQOSA-N 1 1 285.391 2.671 50 0 CFAAMO C[C@@H](c1ccc(-c2cccc(N)n2)cc1)[NH+]1CCOCC1 ZINC000032587180 779072068 /nfs/dbraw/zinc/07/20/68/779072068.db2.gz VWUFGBNEAFAAHF-ZDUSSCGKSA-N 1 1 283.375 2.724 50 0 CFAAMO c1cc2c(nc[nH+]c2NCCCC[C@H]2CCCO2)[nH]1 ZINC000820385556 781867397 /nfs/dbraw/zinc/86/73/97/781867397.db2.gz NNRHJFHDZVSFQU-NSHDSACASA-N 1 1 260.341 2.671 50 0 CFAAMO CC(C)c1nc(C[NH2+][C@H]2CCc3ccccc3C2)no1 ZINC000822285088 781897466 /nfs/dbraw/zinc/89/74/66/781897466.db2.gz RJIWODAPDQXVML-AWEZNQCLSA-N 1 1 271.364 2.840 50 0 CFAAMO O[C@@H](C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(F)cc1 ZINC000096452805 230376186 /nfs/dbraw/zinc/37/61/86/230376186.db2.gz BUMIQLKXDVWKAF-KRWDZBQOSA-N 1 1 286.350 2.919 50 0 CFAAMO C[C@@H]1C[NH+](Cc2ccc([S@](C)=O)cc2)C[C@@H](C)S1 ZINC000195548085 230396402 /nfs/dbraw/zinc/39/64/02/230396402.db2.gz UOWZZLSSSRINAO-FMTVUPSXSA-N 1 1 283.462 2.750 50 0 CFAAMO CC(C)[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(F)cc1 ZINC000095972746 185049260 /nfs/dbraw/zinc/04/92/60/185049260.db2.gz CSGZNOILVRNHFN-OAHLLOKOSA-N 1 1 274.343 2.685 50 0 CFAAMO COc1ccc(NC(=O)CCn2c[nH+]c(C)c2C)cc1 ZINC000095974675 185050367 /nfs/dbraw/zinc/05/03/67/185050367.db2.gz NJZSSNSIYVTLLA-UHFFFAOYSA-N 1 1 273.336 2.537 50 0 CFAAMO CC[C@H](C(=O)NCc1c(F)ccc(C)c1F)[N@@H+](C)CC ZINC000823061352 781919582 /nfs/dbraw/zinc/91/95/82/781919582.db2.gz RPQXWTWEEBTPKO-CYBMUJFWSA-N 1 1 284.350 2.620 50 0 CFAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000096990492 185148440 /nfs/dbraw/zinc/14/84/40/185148440.db2.gz YDQPJYDFXUNRAD-OAHLLOKOSA-N 1 1 281.371 2.576 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCCO2)cc1F ZINC000126180087 187222560 /nfs/dbraw/zinc/22/25/60/187222560.db2.gz OKYKTKCGVPFALB-CQSZACIVSA-N 1 1 294.370 2.574 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCCO2)cc1F ZINC000126180087 187222561 /nfs/dbraw/zinc/22/25/61/187222561.db2.gz OKYKTKCGVPFALB-CQSZACIVSA-N 1 1 294.370 2.574 50 0 CFAAMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000131703510 282268279 /nfs/dbraw/zinc/26/82/79/282268279.db2.gz HRRVYCITJHZTNM-CYBMUJFWSA-N 1 1 291.782 2.995 50 0 CFAAMO CCc1nc(N[C@@H](C)Cc2c(C)nn(C)c2C)cc(C)[nH+]1 ZINC000225821218 529730313 /nfs/dbraw/zinc/73/03/13/529730313.db2.gz CPUTZIBFIYWTPE-JTQLQIEISA-N 1 1 287.411 2.741 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2CCc2ccccn2)no1 ZINC000074085487 346995821 /nfs/dbraw/zinc/99/58/21/346995821.db2.gz CUTYCVPDGOKIST-OAHLLOKOSA-N 1 1 257.337 2.758 50 0 CFAAMO C[N@@H+](Cc1cccnc1)[C@@H](CCO)c1ccccc1 ZINC000096441572 530006669 /nfs/dbraw/zinc/00/66/69/530006669.db2.gz BPWFRAVHLQVORQ-INIZCTEOSA-N 1 1 256.349 2.637 50 0 CFAAMO COc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000002811169 539436913 /nfs/dbraw/zinc/43/69/13/539436913.db2.gz JVMMMNPBTDPIQB-UHFFFAOYSA-N 1 1 262.397 2.530 50 0 CFAAMO COc1ccc(CN(C)C2CC[NH+](C)CC2)cc1C ZINC000002811169 539436926 /nfs/dbraw/zinc/43/69/26/539436926.db2.gz JVMMMNPBTDPIQB-UHFFFAOYSA-N 1 1 262.397 2.530 50 0 CFAAMO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000097101731 185531832 /nfs/dbraw/zinc/53/18/32/185531832.db2.gz VPYATQONFUMORV-VHSXEESVSA-N 1 1 288.317 2.893 50 0 CFAAMO CC1CCC([N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000016672168 346239480 /nfs/dbraw/zinc/23/94/80/346239480.db2.gz BBDBUIQLBLULKV-FYRZTWFESA-N 1 1 286.419 2.846 50 0 CFAAMO Cn1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1=O ZINC000051180495 346501200 /nfs/dbraw/zinc/50/12/00/346501200.db2.gz KMXFESGCYXIPJR-INIZCTEOSA-N 1 1 268.360 2.722 50 0 CFAAMO Cc1[nH+]c2cc(Nc3ccnc(C)n3)ccc2n1C ZINC000078674681 347269742 /nfs/dbraw/zinc/26/97/42/347269742.db2.gz MPSCPICHRCKHSZ-UHFFFAOYSA-N 1 1 253.309 2.724 50 0 CFAAMO O=C([C@@H]1CCCN(c2cc[nH+]cc2Cl)C1)N1CCCC1 ZINC000095408613 347698071 /nfs/dbraw/zinc/69/80/71/347698071.db2.gz WRAHMQYSVHOSCZ-GFCCVEGCSA-N 1 1 293.798 2.574 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]1CC ZINC000095882807 347699201 /nfs/dbraw/zinc/69/92/01/347699201.db2.gz UOTCUJGGSUJBJM-ZBFHGGJFSA-N 1 1 261.365 2.949 50 0 CFAAMO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2sccc2C)o1 ZINC000097373981 347709174 /nfs/dbraw/zinc/70/91/74/347709174.db2.gz WQWUBKTZEFGONC-LBPRGKRZSA-N 1 1 292.404 2.925 50 0 CFAAMO C[C@H]([NH2+]C/C=C\c1ccccc1)c1nnc2n1CCCC2 ZINC000098052797 347712413 /nfs/dbraw/zinc/71/24/13/347712413.db2.gz RKNUAASGELULOF-YHAOYDPOSA-N 1 1 282.391 2.978 50 0 CFAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@H](C)c2cccnc2)c1 ZINC000106843620 347733320 /nfs/dbraw/zinc/73/33/20/347733320.db2.gz BUSJYNTVXAYMST-ZBFHGGJFSA-N 1 1 270.380 2.812 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2SC)o1 ZINC000110642506 347749307 /nfs/dbraw/zinc/74/93/07/347749307.db2.gz JSDFQMKOYPWYCF-DGCLKSJQSA-N 1 1 283.393 2.782 50 0 CFAAMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000123005626 347818089 /nfs/dbraw/zinc/81/80/89/347818089.db2.gz VEYXNNQVXQWRDY-OAHLLOKOSA-N 1 1 299.374 2.757 50 0 CFAAMO CC[N@H+]1CCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC000172019960 348085027 /nfs/dbraw/zinc/08/50/27/348085027.db2.gz QYIWTFFMECCFCF-LBPRGKRZSA-N 1 1 272.348 2.647 50 0 CFAAMO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cn[nH]c1C ZINC000195565395 348146790 /nfs/dbraw/zinc/14/67/90/348146790.db2.gz ITIWHYFFLZQFGL-CQSZACIVSA-N 1 1 285.391 2.936 50 0 CFAAMO CC(C)n1cc(C(=O)Nc2cccc3c2CC[N@@H+](C)C3)cn1 ZINC000225538363 348178223 /nfs/dbraw/zinc/17/82/23/348178223.db2.gz NTDLXHYMQVWIFV-UHFFFAOYSA-N 1 1 298.390 2.704 50 0 CFAAMO CCn1ncnc1C[N@@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000225617527 348178702 /nfs/dbraw/zinc/17/87/02/348178702.db2.gz AAHQVVJEZKBMOC-AWEZNQCLSA-N 1 1 262.401 2.700 50 0 CFAAMO CCn1ncnc1C[N@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000225617527 348178704 /nfs/dbraw/zinc/17/87/04/348178704.db2.gz AAHQVVJEZKBMOC-AWEZNQCLSA-N 1 1 262.401 2.700 50 0 CFAAMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCC1OCCO1 ZINC000390833479 348544194 /nfs/dbraw/zinc/54/41/94/348544194.db2.gz IBWKVRXYMDMIGL-INIZCTEOSA-N 1 1 291.391 2.767 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1Cl ZINC000584890828 348729025 /nfs/dbraw/zinc/72/90/25/348729025.db2.gz HDMFBGQPLZGOKX-VIFPVBQESA-N 1 1 272.801 2.616 50 0 CFAAMO Cc1n[nH]cc1C[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000585136317 348735520 /nfs/dbraw/zinc/73/55/20/348735520.db2.gz AMLROMZZIHFOQF-AWEZNQCLSA-N 1 1 263.385 2.642 50 0 CFAAMO COc1cccc(C)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000585140347 348736299 /nfs/dbraw/zinc/73/62/99/348736299.db2.gz CPKLXLUPVDUKCP-KBPBESRZSA-N 1 1 262.397 2.576 50 0 CFAAMO COc1cccc(C)c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000585140347 348736304 /nfs/dbraw/zinc/73/63/04/348736304.db2.gz CPKLXLUPVDUKCP-KBPBESRZSA-N 1 1 262.397 2.576 50 0 CFAAMO CCSc1ccccc1NC(=O)Cn1cc[nH+]c1C ZINC000823426683 781928223 /nfs/dbraw/zinc/92/82/23/781928223.db2.gz AIRZWKMROTZMSS-UHFFFAOYSA-N 1 1 275.377 2.942 50 0 CFAAMO C[C@@H](CNc1cc[nH+]cc1Cl)Cn1cccn1 ZINC000091452917 180159399 /nfs/dbraw/zinc/15/93/99/180159399.db2.gz HMHGNPCTXGBWCT-JTQLQIEISA-N 1 1 250.733 2.680 50 0 CFAAMO CCC[N@H+]1CC[C@@H](CNc2nnc(C3CC3)s2)C1 ZINC000091457277 180160773 /nfs/dbraw/zinc/16/07/73/180160773.db2.gz WSFMTMQBULSOIG-JTQLQIEISA-N 1 1 266.414 2.559 50 0 CFAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1F)C2 ZINC000091770045 180249158 /nfs/dbraw/zinc/24/91/58/180249158.db2.gz QRSNUYMUIWABOH-ZYHUDNBSSA-N 1 1 296.773 2.645 50 0 CFAAMO COC[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(OC)c(OC)c1 ZINC000091862121 180275143 /nfs/dbraw/zinc/27/51/43/180275143.db2.gz IXPIARWVUWJYIV-LBPRGKRZSA-N 1 1 299.798 2.968 50 0 CFAAMO COCCC[C@@]1(CO)CCC[N@@H+](Cc2ccsc2)C1 ZINC000091896215 180281914 /nfs/dbraw/zinc/28/19/14/180281914.db2.gz JFKPXPQXZTUGDB-HNNXBMFYSA-N 1 1 283.437 2.749 50 0 CFAAMO COCCC[C@]1(CO)CCC[N@@H+](Cc2ccsc2)C1 ZINC000091896210 180282573 /nfs/dbraw/zinc/28/25/73/180282573.db2.gz JFKPXPQXZTUGDB-OAHLLOKOSA-N 1 1 283.437 2.749 50 0 CFAAMO OCc1ccc(C[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000091907926 180283757 /nfs/dbraw/zinc/28/37/57/180283757.db2.gz ONFSSVQQZCGAPW-INIZCTEOSA-N 1 1 259.393 2.986 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC000106135339 186104185 /nfs/dbraw/zinc/10/41/85/186104185.db2.gz SKEQQMGQGOCORZ-GDBMZVCRSA-N 1 1 295.386 2.647 50 0 CFAAMO c1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CCOCO2)cc1 ZINC000106800308 186137122 /nfs/dbraw/zinc/13/71/22/186137122.db2.gz UXZHACMCGCOXEI-IAGOWNOFSA-N 1 1 275.392 2.847 50 0 CFAAMO CCOC[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000106853135 186142353 /nfs/dbraw/zinc/14/23/53/186142353.db2.gz JHNOOEYTEMPGBU-DOMZBBRYSA-N 1 1 269.360 2.606 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000092456065 180388396 /nfs/dbraw/zinc/38/83/96/180388396.db2.gz KXAFVBUQVNOQEY-KRWDZBQOSA-N 1 1 298.386 2.617 50 0 CFAAMO c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000621624868 353386556 /nfs/dbraw/zinc/38/65/56/353386556.db2.gz QKRVXIGBIHKCCG-UHFFFAOYSA-N 1 1 297.354 2.852 50 0 CFAAMO c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000621624868 353386558 /nfs/dbraw/zinc/38/65/58/353386558.db2.gz QKRVXIGBIHKCCG-UHFFFAOYSA-N 1 1 297.354 2.852 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000078316825 540156373 /nfs/dbraw/zinc/15/63/73/540156373.db2.gz FUSCLSLEFKWWKU-HZPDHXFCSA-N 1 1 295.471 2.938 50 0 CFAAMO CN1CC[C@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068575517 283113832 /nfs/dbraw/zinc/11/38/32/283113832.db2.gz IXNHRSPFKLGGAC-PWSUYJOCSA-N 1 1 258.287 2.657 50 0 CFAAMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccnc(Cl)c1 ZINC000083704282 540183552 /nfs/dbraw/zinc/18/35/52/540183552.db2.gz GPMYXZOTTKBVSX-TZMCWYRMSA-N 1 1 279.815 2.794 50 0 CFAAMO c1ccc(C[N@@H+]2CC[C@@H](CN3CCSCC3)C2)cc1 ZINC000252494887 540234289 /nfs/dbraw/zinc/23/42/89/540234289.db2.gz OHLMIHIBZZTAPU-INIZCTEOSA-N 1 1 276.449 2.557 50 0 CFAAMO c1ccc(CN2CC[C@@H](C[NH+]3CCSCC3)C2)cc1 ZINC000252494887 540234296 /nfs/dbraw/zinc/23/42/96/540234296.db2.gz OHLMIHIBZZTAPU-INIZCTEOSA-N 1 1 276.449 2.557 50 0 CFAAMO Cc1[nH+]cc(CN2CC(C)(CC(F)(F)F)C2)n1C ZINC000585102516 540462234 /nfs/dbraw/zinc/46/22/34/540462234.db2.gz XQHBGFRZHSEWPA-UHFFFAOYSA-N 1 1 261.291 2.503 50 0 CFAAMO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000329389807 202314137 /nfs/dbraw/zinc/31/41/37/202314137.db2.gz UQENOGYBDKTRKV-TZMCWYRMSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)o1 ZINC000329389807 202314140 /nfs/dbraw/zinc/31/41/40/202314140.db2.gz UQENOGYBDKTRKV-TZMCWYRMSA-N 1 1 286.379 2.879 50 0 CFAAMO C[C@H]([N@@H+](C)Cc1nc(-c2ccoc2)no1)C1(C)CC1 ZINC000177254103 189039664 /nfs/dbraw/zinc/03/96/64/189039664.db2.gz MDZKBBXYYJOHCG-JTQLQIEISA-N 1 1 261.325 2.950 50 0 CFAAMO O[C@@H]1C[C@H](C2CCCCC2)[N@@H+](Cc2ccncc2)C1 ZINC000095401526 540724931 /nfs/dbraw/zinc/72/49/31/540724931.db2.gz XJAYRKLRCBTBSG-HZPDHXFCSA-N 1 1 260.381 2.597 50 0 CFAAMO CCC[N@H+]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000389285702 540941653 /nfs/dbraw/zinc/94/16/53/540941653.db2.gz VXEWYSLAYNUHOP-GFCCVEGCSA-N 1 1 256.353 2.526 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2ncc(Cl)cn2)C1 ZINC000670446611 540997519 /nfs/dbraw/zinc/99/75/19/540997519.db2.gz SAIWNQVDNSFWOV-LBPRGKRZSA-N 1 1 291.786 2.552 50 0 CFAAMO CC(C)c1nnc(N(C)CC[N@@H+](C)C2CCCC2)s1 ZINC000670447787 540997691 /nfs/dbraw/zinc/99/76/91/540997691.db2.gz HSVAVDACYWCHKR-UHFFFAOYSA-N 1 1 282.457 2.972 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CN1CC(Oc2ccc(C)cc2)C1 ZINC000670460704 541002680 /nfs/dbraw/zinc/00/26/80/541002680.db2.gz HHAIPRFVZQSIRT-HNNXBMFYSA-N 1 1 274.408 2.542 50 0 CFAAMO O=C(c1ccoc1)N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000670452753 541000262 /nfs/dbraw/zinc/00/02/62/541000262.db2.gz DORUKECXDYNEIM-UHFFFAOYSA-N 1 1 288.391 2.928 50 0 CFAAMO C[N@H+]1CC[C@](C)(c2ncnn2-c2ccccc2Cl)C1 ZINC000670459142 541002773 /nfs/dbraw/zinc/00/27/73/541002773.db2.gz DLXODVDKSJWPRX-AWEZNQCLSA-N 1 1 276.771 2.514 50 0 CFAAMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000670469734 541008638 /nfs/dbraw/zinc/00/86/38/541008638.db2.gz RYUAAYGSHNLITG-ZDUSSCGKSA-N 1 1 258.365 2.761 50 0 CFAAMO FC(F)(F)CCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000670471405 541010003 /nfs/dbraw/zinc/01/00/03/541010003.db2.gz LULRJVPJDNPTJU-UHFFFAOYSA-N 1 1 261.291 2.932 50 0 CFAAMO Cc1[nH]nc2c1C[N@@H+](C[C@H](C)c1ccccc1)CC2 ZINC000670473133 541011315 /nfs/dbraw/zinc/01/13/15/541011315.db2.gz ZSOFTGYADQOLFN-LBPRGKRZSA-N 1 1 255.365 2.880 50 0 CFAAMO Cc1n[nH]c2c1C[N@H+](C[C@H](C)c1ccccc1)CC2 ZINC000670473133 541011317 /nfs/dbraw/zinc/01/13/17/541011317.db2.gz ZSOFTGYADQOLFN-LBPRGKRZSA-N 1 1 255.365 2.880 50 0 CFAAMO Cc1n[nH]c2c1C[N@@H+](C[C@H](C)c1ccccc1)CC2 ZINC000670473133 541011318 /nfs/dbraw/zinc/01/13/18/541011318.db2.gz ZSOFTGYADQOLFN-LBPRGKRZSA-N 1 1 255.365 2.880 50 0 CFAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNc1ncccc1F ZINC000823806272 781937283 /nfs/dbraw/zinc/93/72/83/781937283.db2.gz JIXNJAKAENWAOQ-AWEZNQCLSA-N 1 1 271.339 2.689 50 0 CFAAMO C1=C(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CCCC1 ZINC000450402663 242398588 /nfs/dbraw/zinc/39/85/88/242398588.db2.gz KXZAIFQVIRMQQD-KRWDZBQOSA-N 1 1 278.440 2.531 50 0 CFAAMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000331812961 204192057 /nfs/dbraw/zinc/19/20/57/204192057.db2.gz LPFMMVDEJLTEOQ-OLZOCXBDSA-N 1 1 289.383 2.535 50 0 CFAAMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000331812961 204192059 /nfs/dbraw/zinc/19/20/59/204192059.db2.gz LPFMMVDEJLTEOQ-OLZOCXBDSA-N 1 1 289.383 2.535 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000000200682 371556064 /nfs/dbraw/zinc/55/60/64/371556064.db2.gz OZXIEYSSLNEUEL-GFCCVEGCSA-N 1 1 253.367 2.523 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000078000 371524806 /nfs/dbraw/zinc/52/48/06/371524806.db2.gz BBMNTDYLHOUHAS-UKRRQHHQSA-N 1 1 286.375 2.583 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000000212620 371559281 /nfs/dbraw/zinc/55/92/81/371559281.db2.gz UEKJVXUQMOCLNF-AWEZNQCLSA-N 1 1 252.402 2.509 50 0 CFAAMO Cc1cc(NC(=O)C[NH+]2CCCCC2)n(-c2ccccc2)n1 ZINC000000159418 371545411 /nfs/dbraw/zinc/54/54/11/371545411.db2.gz UVXHNZBOHOFSAW-UHFFFAOYSA-N 1 1 298.390 2.605 50 0 CFAAMO Cc1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000000277448 371576934 /nfs/dbraw/zinc/57/69/34/371576934.db2.gz HYCHBZXKVGZCLP-UHFFFAOYSA-N 1 1 255.361 2.990 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000286233 371578156 /nfs/dbraw/zinc/57/81/56/371578156.db2.gz MPPBKTRSBBRDKN-UHFFFAOYSA-N 1 1 267.760 2.509 50 0 CFAAMO COc1cc(C[C@H]2CC(C)=CC[N@H+]2C)cc(OC)c1OC ZINC000000387953 371602551 /nfs/dbraw/zinc/60/25/51/371602551.db2.gz TZHZEVMJGGQMTC-CQSZACIVSA-N 1 1 291.391 2.905 50 0 CFAAMO C/C(=C\C(=O)Nc1cc(C)cc(C)n1)[NH+]1CCCC1 ZINC000001388182 371668097 /nfs/dbraw/zinc/66/80/97/371668097.db2.gz GDHNOIVUCQGYOS-JLHYYAGUSA-N 1 1 259.353 2.637 50 0 CFAAMO COc1ccc(CC[N@@H+]2CCC(=O)[C@H](C)[C@@H]2C)cc1OC ZINC000002511845 371729563 /nfs/dbraw/zinc/72/95/63/371729563.db2.gz PTKVNRIUQDVVDK-OLZOCXBDSA-N 1 1 291.391 2.546 50 0 CFAAMO COc1ccc(CC[N@H+]2CCC(=O)[C@H](C)[C@@H]2C)cc1OC ZINC000002511845 371729569 /nfs/dbraw/zinc/72/95/69/371729569.db2.gz PTKVNRIUQDVVDK-OLZOCXBDSA-N 1 1 291.391 2.546 50 0 CFAAMO COc1ccccc1C[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000002499014 371729819 /nfs/dbraw/zinc/72/98/19/371729819.db2.gz AQSJXSUFNUALAG-AWEZNQCLSA-N 1 1 278.440 2.804 50 0 CFAAMO C[NH+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000002642720 371744709 /nfs/dbraw/zinc/74/47/09/371744709.db2.gz WNWYVPSXHXKTRR-UHFFFAOYSA-N 1 1 270.332 2.979 50 0 CFAAMO NC(=O)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000003335389 371792600 /nfs/dbraw/zinc/79/26/00/371792600.db2.gz DSIYZIQBFQCUAK-UHFFFAOYSA-N 1 1 289.766 2.590 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@H](C)C1 ZINC000003684013 371816340 /nfs/dbraw/zinc/81/63/40/371816340.db2.gz DJQARZCZCLCJFV-CZUORRHYSA-N 1 1 261.365 2.949 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004019251 371828958 /nfs/dbraw/zinc/82/89/58/371828958.db2.gz DAGGEUHIWOTDNG-VNHYZAJKSA-N 1 1 292.423 2.522 50 0 CFAAMO COc1ccc(CC(=O)OCC[N@@H+](C)C(C)(C)C)cc1 ZINC000004515158 371860945 /nfs/dbraw/zinc/86/09/45/371860945.db2.gz NQOOMGPTVUFFKA-UHFFFAOYSA-N 1 1 279.380 2.511 50 0 CFAAMO CCOc1ccccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004977989 371877914 /nfs/dbraw/zinc/87/79/14/371877914.db2.gz MLAYAORJTXFIKG-UHFFFAOYSA-N 1 1 297.402 2.803 50 0 CFAAMO C[N@H+]1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000006741669 371891055 /nfs/dbraw/zinc/89/10/55/371891055.db2.gz XVYYAZVUPLHVSS-UHFFFAOYSA-N 1 1 292.448 2.795 50 0 CFAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000012430091 371962884 /nfs/dbraw/zinc/96/28/84/371962884.db2.gz RRFWJVVBJUCMKR-LLVKDONJSA-N 1 1 278.377 2.932 50 0 CFAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H]1CCOC1 ZINC000012430091 371962890 /nfs/dbraw/zinc/96/28/90/371962890.db2.gz RRFWJVVBJUCMKR-LLVKDONJSA-N 1 1 278.377 2.932 50 0 CFAAMO CCCCN1C(=O)CC[C@@H]2C[N@H+](Cc3ccco3)CC[C@@H]21 ZINC000012125753 371945701 /nfs/dbraw/zinc/94/57/01/371945701.db2.gz VPHYIXCHSAJDRL-ZBFHGGJFSA-N 1 1 290.407 2.893 50 0 CFAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1=CCCC1 ZINC000012192508 371947486 /nfs/dbraw/zinc/94/74/86/371947486.db2.gz JWNSGSMBQWUBKL-SFHVURJKSA-N 1 1 298.430 2.920 50 0 CFAAMO CN1CC[N@@H+](Cc2cccc3ccccc32)CCC1=O ZINC000012213119 371947757 /nfs/dbraw/zinc/94/77/57/371947757.db2.gz GBDSFKBADREYBU-UHFFFAOYSA-N 1 1 268.360 2.504 50 0 CFAAMO C[NH+]1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000013687190 372041240 /nfs/dbraw/zinc/04/12/40/372041240.db2.gz ICCQAANDDFNKEO-JGAFYBCUSA-N 1 1 290.451 2.757 50 0 CFAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H](C)O1 ZINC000013880475 372053556 /nfs/dbraw/zinc/05/35/56/372053556.db2.gz VZXVISRXDAIVJZ-TXEJJXNPSA-N 1 1 296.798 2.778 50 0 CFAAMO OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1O ZINC000014007971 372056882 /nfs/dbraw/zinc/05/68/82/372056882.db2.gz JPLSIBRFAFEEDC-WBVHZDCISA-N 1 1 283.371 2.600 50 0 CFAAMO C[C@@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000016663228 372116131 /nfs/dbraw/zinc/11/61/31/372116131.db2.gz FWYRCAYEZAECOT-IYBDPMFKSA-N 1 1 288.435 2.760 50 0 CFAAMO C[C@@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000016663228 372116139 /nfs/dbraw/zinc/11/61/39/372116139.db2.gz FWYRCAYEZAECOT-IYBDPMFKSA-N 1 1 288.435 2.760 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000016662731 372116652 /nfs/dbraw/zinc/11/66/52/372116652.db2.gz GFERWCPUELFWDB-CQSZACIVSA-N 1 1 253.386 2.842 50 0 CFAAMO c1cnn(CCC[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000014969044 372076709 /nfs/dbraw/zinc/07/67/09/372076709.db2.gz YMYPIBCTEQSJTP-SFHVURJKSA-N 1 1 299.418 2.607 50 0 CFAAMO CCOc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016193192 372100877 /nfs/dbraw/zinc/10/08/77/372100877.db2.gz LOLAJLMRGHPMMS-OKILXGFUSA-N 1 1 279.380 2.573 50 0 CFAAMO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016193192 372100888 /nfs/dbraw/zinc/10/08/88/372100888.db2.gz LOLAJLMRGHPMMS-OKILXGFUSA-N 1 1 279.380 2.573 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000016286689 372102756 /nfs/dbraw/zinc/10/27/56/372102756.db2.gz YFSDLIXTIDZVDO-HZSPNIEDSA-N 1 1 281.371 2.543 50 0 CFAAMO COc1cc(C)ccc1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247675 372102815 /nfs/dbraw/zinc/10/28/15/372102815.db2.gz NIVHJNMGHVCROT-GASCZTMLSA-N 1 1 293.407 2.882 50 0 CFAAMO CCCN1c2ccccc2[N@@H+](CC(=O)C(C)(C)C)C1=N ZINC000019721022 372179965 /nfs/dbraw/zinc/17/99/65/372179965.db2.gz OBBJVVUYNFHWQB-UHFFFAOYSA-N 1 1 273.380 2.947 50 0 CFAAMO CCCN1c2ccccc2[N@H+](CC(=O)C(C)(C)C)C1=N ZINC000019721022 372179970 /nfs/dbraw/zinc/17/99/70/372179970.db2.gz OBBJVVUYNFHWQB-UHFFFAOYSA-N 1 1 273.380 2.947 50 0 CFAAMO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019229214 372150706 /nfs/dbraw/zinc/15/07/06/372150706.db2.gz JQRADOXEWUQNBB-UHFFFAOYSA-N 1 1 298.361 2.784 50 0 CFAAMO CO[C@@H]1CCCN(CC[N@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228968 372151961 /nfs/dbraw/zinc/15/19/61/372151961.db2.gz FIJPMISJQKYIGK-QZTJIDSGSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@@H]1CCC[N@H+](CCN2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228968 372151967 /nfs/dbraw/zinc/15/19/67/372151967.db2.gz FIJPMISJQKYIGK-QZTJIDSGSA-N 1 1 288.435 2.587 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](CCN2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228968 372151973 /nfs/dbraw/zinc/15/19/73/372151973.db2.gz FIJPMISJQKYIGK-QZTJIDSGSA-N 1 1 288.435 2.587 50 0 CFAAMO Oc1ccc(SCCCC[NH+]2CCOCC2)cc1 ZINC000019286318 372154614 /nfs/dbraw/zinc/15/46/14/372154614.db2.gz YHKNLUTUXZDOQI-UHFFFAOYSA-N 1 1 267.394 2.597 50 0 in-vitro CFAAMO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000019339737 372156829 /nfs/dbraw/zinc/15/68/29/372156829.db2.gz CEUHWYAQJMJVOF-KRWDZBQOSA-N 1 1 258.409 2.993 50 0 CFAAMO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC2CC2)C1 ZINC000019339737 372156839 /nfs/dbraw/zinc/15/68/39/372156839.db2.gz CEUHWYAQJMJVOF-KRWDZBQOSA-N 1 1 258.409 2.993 50 0 CFAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC2CC2)C1 ZINC000019339737 372156844 /nfs/dbraw/zinc/15/68/44/372156844.db2.gz CEUHWYAQJMJVOF-KRWDZBQOSA-N 1 1 258.409 2.993 50 0 CFAAMO [NH2+]=C1c2ccccc2CN1c1ccc2c(c1)OCCO2 ZINC000020078803 372225598 /nfs/dbraw/zinc/22/55/98/372225598.db2.gz LRBHZQAVNJKCIU-UHFFFAOYSA-N 1 1 266.300 2.803 50 0 CFAAMO C[NH+]1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC000020738912 372240180 /nfs/dbraw/zinc/24/01/80/372240180.db2.gz CXWYDGJANTVQOB-UHFFFAOYSA-N 1 1 288.782 2.549 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1ccco1 ZINC000022858467 372246242 /nfs/dbraw/zinc/24/62/42/372246242.db2.gz XLJRHEGISLXNSQ-ZDUSSCGKSA-N 1 1 294.301 2.591 50 0 CFAAMO OC[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000023115248 372251902 /nfs/dbraw/zinc/25/19/02/372251902.db2.gz HVHZAFVECJUGMQ-VIFPVBQESA-N 1 1 290.226 2.715 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000023115248 372251913 /nfs/dbraw/zinc/25/19/13/372251913.db2.gz HVHZAFVECJUGMQ-VIFPVBQESA-N 1 1 290.226 2.715 50 0 CFAAMO C[C@@H](CNC(=O)[C@H]1CC=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025632465 372304791 /nfs/dbraw/zinc/30/47/91/372304791.db2.gz QLKATBRDSZLUFA-RDJZCZTQSA-N 1 1 298.430 2.906 50 0 CFAAMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000026157485 372314131 /nfs/dbraw/zinc/31/41/31/372314131.db2.gz NCYCIPBARVPSSK-SWLSCSKDSA-N 1 1 254.333 2.564 50 0 CFAAMO NC(=O)[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000026157515 372314557 /nfs/dbraw/zinc/31/45/57/372314557.db2.gz LKCPFCQUQBUQFB-CQSZACIVSA-N 1 1 274.751 2.656 50 0 CFAAMO O[C@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000026807533 372329753 /nfs/dbraw/zinc/32/97/53/372329753.db2.gz OKGXSLRNMYELCR-QGZVFWFLSA-N 1 1 271.335 2.917 50 0 CFAAMO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000027221330 372337309 /nfs/dbraw/zinc/33/73/09/372337309.db2.gz HHCCJNUVYFGZRM-LLVKDONJSA-N 1 1 286.331 2.770 50 0 CFAAMO C[N@@H+]1CCN(C(=O)/C=C/c2ccco2)[C@@H](c2ccccc2)C1 ZINC000030028986 372389381 /nfs/dbraw/zinc/38/93/81/372389381.db2.gz QRUMVTVVSGEMER-OAGJVSPASA-N 1 1 296.370 2.808 50 0 CFAAMO C[N@H+]1CCN(C(=O)/C=C/c2ccco2)[C@@H](c2ccccc2)C1 ZINC000030028986 372389386 /nfs/dbraw/zinc/38/93/86/372389386.db2.gz QRUMVTVVSGEMER-OAGJVSPASA-N 1 1 296.370 2.808 50 0 CFAAMO CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000030142792 372390295 /nfs/dbraw/zinc/39/02/95/372390295.db2.gz YOWAFMVDCAWCLV-LBPRGKRZSA-N 1 1 291.420 2.686 50 0 CFAAMO Cc1csc2nc(C[N@H+](C)[C@H](C)C(C)C)cc(=O)n12 ZINC000030149096 372391076 /nfs/dbraw/zinc/39/10/76/372391076.db2.gz PJEUUAGLXNFDSW-LLVKDONJSA-N 1 1 279.409 2.541 50 0 CFAAMO Cc1csc2nc(C[N@H+](C)[C@@H](C)C(C)C)cc(=O)n12 ZINC000030149097 372391083 /nfs/dbraw/zinc/39/10/83/372391083.db2.gz PJEUUAGLXNFDSW-NSHDSACASA-N 1 1 279.409 2.541 50 0 CFAAMO C[C@@H]1CCC[N@H+](CCCNCc2cccs2)C1 ZINC000032919222 372476522 /nfs/dbraw/zinc/47/65/22/372476522.db2.gz BGTXITFOQAWWOI-CYBMUJFWSA-N 1 1 252.427 2.960 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCCNCc2cccs2)C1 ZINC000032919222 372476526 /nfs/dbraw/zinc/47/65/26/372476526.db2.gz BGTXITFOQAWWOI-CYBMUJFWSA-N 1 1 252.427 2.960 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccco1)C1CCCCCC1 ZINC000032858118 372470125 /nfs/dbraw/zinc/47/01/25/372470125.db2.gz RGDUKWWCCWGQMT-UHFFFAOYSA-N 1 1 264.369 2.550 50 0 CFAAMO CCC[N@H+](Cc1ccco1)C[C@H](O)COc1ccccc1 ZINC000036030960 372554668 /nfs/dbraw/zinc/55/46/68/372554668.db2.gz UQTVQFOIKZMINA-HNNXBMFYSA-N 1 1 289.375 2.932 50 0 CFAAMO Cc1ccc(C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C)o1 ZINC000036097723 372559084 /nfs/dbraw/zinc/55/90/84/372559084.db2.gz MRJYILJYQBNSMW-AWEZNQCLSA-N 1 1 283.412 2.974 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000036382136 372575334 /nfs/dbraw/zinc/57/53/34/372575334.db2.gz DPEGBKCRHNDOHE-PBHICJAKSA-N 1 1 286.419 2.740 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000036382136 372575336 /nfs/dbraw/zinc/57/53/36/372575336.db2.gz DPEGBKCRHNDOHE-PBHICJAKSA-N 1 1 286.419 2.740 50 0 CFAAMO Cc1noc(C)c1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000037077230 372646711 /nfs/dbraw/zinc/64/67/11/372646711.db2.gz NVKVBSMBIMAGTI-CYBMUJFWSA-N 1 1 288.347 2.563 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000037077230 372646719 /nfs/dbraw/zinc/64/67/19/372646719.db2.gz NVKVBSMBIMAGTI-CYBMUJFWSA-N 1 1 288.347 2.563 50 0 CFAAMO CC[N@H+]1CC[C@H](CNCc2ccccc2Cl)C1 ZINC000037643727 372678083 /nfs/dbraw/zinc/67/80/83/372678083.db2.gz NOUVZWDQMCBKRU-GFCCVEGCSA-N 1 1 252.789 2.771 50 0 CFAAMO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000042205413 372887220 /nfs/dbraw/zinc/88/72/20/372887220.db2.gz CRDILEQAUMOPHE-LLVKDONJSA-N 1 1 268.788 2.763 50 0 CFAAMO CC/C=C(\C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000042726296 372952570 /nfs/dbraw/zinc/95/25/70/372952570.db2.gz HBPGZMIGFSPPPU-VIZOYTHASA-N 1 1 286.419 2.907 50 0 CFAAMO COC[C@H]1CCC[N@@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000043131169 372977717 /nfs/dbraw/zinc/97/77/17/372977717.db2.gz QTJRTZZZOZKBGA-GJZGRUSLSA-N 1 1 287.407 2.956 50 0 CFAAMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)on1 ZINC000048301136 373160379 /nfs/dbraw/zinc/16/03/79/373160379.db2.gz SOSBRFQRJPEUCK-SNVBAGLBSA-N 1 1 293.754 2.926 50 0 CFAAMO NC(=O)CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000048025332 373142297 /nfs/dbraw/zinc/14/22/97/373142297.db2.gz HYGDBRWDLGZIBT-UHFFFAOYSA-N 1 1 284.762 2.567 50 0 CFAAMO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048614555 373207815 /nfs/dbraw/zinc/20/78/15/373207815.db2.gz VFLYNYHINWGPMG-ZNMIVQPWSA-N 1 1 266.429 2.611 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000049460876 373299460 /nfs/dbraw/zinc/29/94/60/373299460.db2.gz OZVXRUYFSZCKIN-UHFFFAOYSA-N 1 1 285.391 2.919 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000049460991 373299706 /nfs/dbraw/zinc/29/97/06/373299706.db2.gz OMKWAMVYDCPBEO-UHFFFAOYSA-N 1 1 298.173 2.928 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2F)C1 ZINC000049479566 373302110 /nfs/dbraw/zinc/30/21/10/373302110.db2.gz JVHJNFWYEPDBFK-CYBMUJFWSA-N 1 1 278.371 2.676 50 0 CFAAMO CC(C)[N@@H+](CCO)Cc1ccc(Br)cc1 ZINC000049802023 373319008 /nfs/dbraw/zinc/31/90/08/373319008.db2.gz IGMDWDJDPQOQPW-UHFFFAOYSA-N 1 1 272.186 2.652 50 0 CFAAMO CCCCOC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050266828 373365702 /nfs/dbraw/zinc/36/57/02/373365702.db2.gz JVMHNAZDYYDVGV-HNNXBMFYSA-N 1 1 261.365 2.819 50 0 CFAAMO CCCCOC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050266828 373365711 /nfs/dbraw/zinc/36/57/11/373365711.db2.gz JVMHNAZDYYDVGV-HNNXBMFYSA-N 1 1 261.365 2.819 50 0 CFAAMO CC(=O)c1ccccc1OCCn1c[nH+]c(C)c1C ZINC000051927289 373420341 /nfs/dbraw/zinc/42/03/41/373420341.db2.gz XIFIAPRYIBMWRU-UHFFFAOYSA-N 1 1 258.321 2.782 50 0 CFAAMO C[N@@H+](CCc1ccccc1)CC(=O)N1CCc2ccccc21 ZINC000051998331 373426226 /nfs/dbraw/zinc/42/62/26/373426226.db2.gz CJICVXJOVFPUQG-UHFFFAOYSA-N 1 1 294.398 2.750 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000051203929 373388104 /nfs/dbraw/zinc/38/81/04/373388104.db2.gz VSIPJRKEEBBXHO-GFCCVEGCSA-N 1 1 276.767 2.845 50 0 CFAAMO Cc1ccccc1OC[C@H](O)C[N@H+](C)CCC(C)C ZINC000051451257 373396987 /nfs/dbraw/zinc/39/69/87/373396987.db2.gz NTLJVWSVOCHAFO-OAHLLOKOSA-N 1 1 265.397 2.713 50 0 CFAAMO OCCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213966 373441154 /nfs/dbraw/zinc/44/11/54/373441154.db2.gz HUPCYXMAKSZWKI-ZDUSSCGKSA-N 1 1 284.197 2.968 50 0 CFAAMO Cc1cc(NC2CCN(C(=O)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000052218481 373442045 /nfs/dbraw/zinc/44/20/45/373442045.db2.gz SJCDEEBWPIJLMO-UHFFFAOYSA-N 1 1 290.411 2.542 50 0 CFAAMO COCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054011259 373492310 /nfs/dbraw/zinc/49/23/10/373492310.db2.gz BVBMJFIRWVZFFQ-UHFFFAOYSA-N 1 1 287.363 2.640 50 0 CFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)on1 ZINC000054225366 373506143 /nfs/dbraw/zinc/50/61/43/373506143.db2.gz HKBDFWLQPHQUKP-DZGCQCFKSA-N 1 1 299.374 2.548 50 0 CFAAMO CCn1cc(C[N@H+](Cc2ccc(CO)o2)CC(C)C)cn1 ZINC000055282929 373547721 /nfs/dbraw/zinc/54/77/21/373547721.db2.gz QGLVDQYRWVNVIN-UHFFFAOYSA-N 1 1 291.395 2.647 50 0 CFAAMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1cnc(OC)nc1 ZINC000055414199 373551425 /nfs/dbraw/zinc/55/14/25/373551425.db2.gz WYNSBBWBBAEZPH-ZDUSSCGKSA-N 1 1 286.379 2.681 50 0 CFAAMO Brc1ccccc1C[NH+]1CCSCC1 ZINC000055543754 373556733 /nfs/dbraw/zinc/55/67/33/373556733.db2.gz YNLODKZMPGKLDF-UHFFFAOYSA-N 1 1 272.211 2.998 50 0 CFAAMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C)cc1 ZINC000058157716 373627261 /nfs/dbraw/zinc/62/72/61/373627261.db2.gz QBMVTVUDJYMRLS-UHFFFAOYSA-N 1 1 263.772 2.980 50 0 CFAAMO CCO[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000058293492 373642264 /nfs/dbraw/zinc/64/22/64/373642264.db2.gz DJMXUUCSHXNJPF-JTQLQIEISA-N 1 1 291.326 2.683 50 0 CFAAMO CCC[N@@H+](Cc1cccnc1)Cc1nc(C)ccc1O ZINC000063855825 373817079 /nfs/dbraw/zinc/81/70/79/373817079.db2.gz QECNWWOSTBSSIS-UHFFFAOYSA-N 1 1 271.364 2.903 50 0 CFAAMO Cc1c(C[N@@H+](C)CCCc2ccccc2)cnn1C ZINC000065501102 373880495 /nfs/dbraw/zinc/88/04/95/373880495.db2.gz HFUBDLIUTZOCOD-UHFFFAOYSA-N 1 1 257.381 2.793 50 0 CFAAMO c1nc2c([nH]1)[C@@H](c1ccccc1OC1CCCC1)[NH2+]CC2 ZINC000065526175 373881732 /nfs/dbraw/zinc/88/17/32/373881732.db2.gz SKRZYMFNVJMJDX-MRXNPFEDSA-N 1 1 283.375 2.966 50 0 CFAAMO c1nc2c([nH]1)[C@H](c1ccccc1OC1CCCC1)[NH2+]CC2 ZINC000065526176 373881801 /nfs/dbraw/zinc/88/18/01/373881801.db2.gz SKRZYMFNVJMJDX-INIZCTEOSA-N 1 1 283.375 2.966 50 0 CFAAMO Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000065731497 373897519 /nfs/dbraw/zinc/89/75/19/373897519.db2.gz VOBKFIMIIKWZAV-AWEZNQCLSA-N 1 1 276.380 2.876 50 0 CFAAMO CCn1cnnc1[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000065287810 373853616 /nfs/dbraw/zinc/85/36/16/373853616.db2.gz DGISDRUXYFRNKC-CYBMUJFWSA-N 1 1 262.401 2.810 50 0 CFAAMO CCOc1ccc(CN(C)C[C@]2(C)CC[N@@H+](C)C2)cc1 ZINC000065456073 373872217 /nfs/dbraw/zinc/87/22/17/373872217.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 1 1 276.424 2.859 50 0 CFAAMO CCOc1ccc(C[N@H+](C)C[C@]2(C)CCN(C)C2)cc1 ZINC000065456073 373872252 /nfs/dbraw/zinc/87/22/52/373872252.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 1 1 276.424 2.859 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)C[C@]2(C)CCN(C)C2)cc1 ZINC000065456073 373872259 /nfs/dbraw/zinc/87/22/59/373872259.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 1 1 276.424 2.859 50 0 CFAAMO COCC[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000066540363 373937246 /nfs/dbraw/zinc/93/72/46/373937246.db2.gz GPGGFJASOCJSRO-MRXNPFEDSA-N 1 1 256.349 2.749 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(O)c(C)c2)C1 ZINC000067772303 374002294 /nfs/dbraw/zinc/00/22/94/374002294.db2.gz TZRWMMBZPUCHDK-AWEZNQCLSA-N 1 1 290.407 2.552 50 0 CFAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1[nH]c2ccc(F)cc2c1C ZINC000067884444 374013170 /nfs/dbraw/zinc/01/31/70/374013170.db2.gz DPGFSQIOUTUOBU-SNVBAGLBSA-N 1 1 291.370 2.572 50 0 CFAAMO C[C@@H](c1cccnc1)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000067964803 374017857 /nfs/dbraw/zinc/01/78/57/374017857.db2.gz PDDJEISPGNBDJK-AWEZNQCLSA-N 1 1 297.406 2.665 50 0 CFAAMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000067964803 374017861 /nfs/dbraw/zinc/01/78/61/374017861.db2.gz PDDJEISPGNBDJK-AWEZNQCLSA-N 1 1 297.406 2.665 50 0 CFAAMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000067983035 374020438 /nfs/dbraw/zinc/02/04/38/374020438.db2.gz QMIMYVAKGDNFMH-HNNXBMFYSA-N 1 1 278.440 2.805 50 0 CFAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000067472756 373981161 /nfs/dbraw/zinc/98/11/61/373981161.db2.gz OOZNGGDRTZEAMH-CQSZACIVSA-N 1 1 299.418 2.856 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(CCOCc2ccccc2)C1 ZINC000067491380 373981952 /nfs/dbraw/zinc/98/19/52/373981952.db2.gz PDMXBNCITQACAB-INIZCTEOSA-N 1 1 288.435 2.762 50 0 CFAAMO c1[nH]c2ccccc2c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067561108 373983013 /nfs/dbraw/zinc/98/30/13/373983013.db2.gz QUTSZDLTAVQJJD-QGZVFWFLSA-N 1 1 269.392 2.743 50 0 CFAAMO C[C@@H](Cn1cccn1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000069413689 374059160 /nfs/dbraw/zinc/05/91/60/374059160.db2.gz KLZFHBYEAWUJOD-NSHDSACASA-N 1 1 288.376 2.778 50 0 CFAAMO C[C@@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)O1 ZINC000069414148 374059908 /nfs/dbraw/zinc/05/99/08/374059908.db2.gz ZZODWSXVJAQKPB-IUODEOHRSA-N 1 1 259.349 2.570 50 0 CFAAMO CC[N@@H+](C)[C@@H](C(=O)NCCc1ccco1)c1ccccc1 ZINC000069487899 374068384 /nfs/dbraw/zinc/06/83/84/374068384.db2.gz VPMDIMDRXIDHBG-MRXNPFEDSA-N 1 1 286.375 2.631 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069654228 374083007 /nfs/dbraw/zinc/08/30/07/374083007.db2.gz KQYKDJGMALWGDI-CVEARBPZSA-N 1 1 290.382 2.915 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000070011001 374113798 /nfs/dbraw/zinc/11/37/98/374113798.db2.gz IZRUSOBGAIFWDV-HOTGVXAUSA-N 1 1 264.413 2.652 50 0 CFAAMO CCC(CC)NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069701452 374086887 /nfs/dbraw/zinc/08/68/87/374086887.db2.gz LVBOKVLJGORWTE-OAHLLOKOSA-N 1 1 274.408 2.781 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000069820184 374102182 /nfs/dbraw/zinc/10/21/82/374102182.db2.gz HCMPXLRGRKOJNT-SFHVURJKSA-N 1 1 298.434 2.850 50 0 CFAAMO C[C@H](NC(C)(C)C[NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000069898373 374106903 /nfs/dbraw/zinc/10/69/03/374106903.db2.gz MNFUAXJDAJIBLS-AWEZNQCLSA-N 1 1 286.423 2.639 50 0 CFAAMO CC[N@H+]1CCC[C@@H](c2nccn2CC2(O)CCCCC2)C1 ZINC000071721500 374218898 /nfs/dbraw/zinc/21/88/98/374218898.db2.gz DNUVCUFDDFITBF-OAHLLOKOSA-N 1 1 291.439 2.778 50 0 CFAAMO C[N@H+](Cc1cccnc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000071909075 374230502 /nfs/dbraw/zinc/23/05/02/374230502.db2.gz UHTCPMWYVRQEBX-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO C[N@@H+](Cc1cccnc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000071909075 374230511 /nfs/dbraw/zinc/23/05/11/374230511.db2.gz UHTCPMWYVRQEBX-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO c1ncc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)[nH]1 ZINC000072447198 374252925 /nfs/dbraw/zinc/25/29/25/374252925.db2.gz DDVVJUBAWBWBNL-LBPRGKRZSA-N 1 1 281.363 2.666 50 0 CFAAMO c1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c[nH]1 ZINC000072447198 374252933 /nfs/dbraw/zinc/25/29/33/374252933.db2.gz DDVVJUBAWBWBNL-LBPRGKRZSA-N 1 1 281.363 2.666 50 0 CFAAMO c1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c[nH]1 ZINC000072447198 374252940 /nfs/dbraw/zinc/25/29/40/374252940.db2.gz DDVVJUBAWBWBNL-LBPRGKRZSA-N 1 1 281.363 2.666 50 0 CFAAMO Cc1ncsc1CC[N@H+](C)Cc1cccc2nonc21 ZINC000072459071 374253766 /nfs/dbraw/zinc/25/37/66/374253766.db2.gz GEVRHKHEAZRVKG-UHFFFAOYSA-N 1 1 288.376 2.662 50 0 CFAAMO CO[C@H]1CC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072475016 374255142 /nfs/dbraw/zinc/25/51/42/374255142.db2.gz KJBGHHWBVSQIOW-INIZCTEOSA-N 1 1 277.408 2.611 50 0 CFAAMO CCN1CCC([N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000072559159 374265267 /nfs/dbraw/zinc/26/52/67/374265267.db2.gz LAXNFDPQRZMAFU-UHFFFAOYSA-N 1 1 275.440 2.669 50 0 CFAAMO CCN1CCC([N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000072559159 374265278 /nfs/dbraw/zinc/26/52/78/374265278.db2.gz LAXNFDPQRZMAFU-UHFFFAOYSA-N 1 1 275.440 2.669 50 0 CFAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nc(C)c(C)o2)c1 ZINC000072269884 374237964 /nfs/dbraw/zinc/23/79/64/374237964.db2.gz PCKNLXIJODFYLQ-CMPLNLGQSA-N 1 1 262.357 2.536 50 0 CFAAMO Cc1cnn(C[C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1 ZINC000072253186 374238341 /nfs/dbraw/zinc/23/83/41/374238341.db2.gz VQJDKRXJVMOFCM-CYBMUJFWSA-N 1 1 295.390 2.621 50 0 CFAAMO C[C@@H]1CCC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000072273298 374240043 /nfs/dbraw/zinc/24/00/43/374240043.db2.gz XDRCHXIBLMXJAU-KFWWJZLASA-N 1 1 266.429 2.661 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000072293069 374242108 /nfs/dbraw/zinc/24/21/08/374242108.db2.gz GCQVDCAGBDVYGC-LLVKDONJSA-N 1 1 250.317 2.557 50 0 CFAAMO CCOc1ccc(C[N@H+](C)CN2C(=O)C[C@@H](C)[C@@H]2C)cc1 ZINC000072312368 374244257 /nfs/dbraw/zinc/24/42/57/374244257.db2.gz HEKDFCSZXXVXOC-KGLIPLIRSA-N 1 1 290.407 2.732 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)CN2C(=O)C[C@@H](C)[C@@H]2C)cc1 ZINC000072312368 374244261 /nfs/dbraw/zinc/24/42/61/374244261.db2.gz HEKDFCSZXXVXOC-KGLIPLIRSA-N 1 1 290.407 2.732 50 0 CFAAMO COCC[N@@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801597 374287008 /nfs/dbraw/zinc/28/70/08/374287008.db2.gz OBHPTLHODKQCBU-UHFFFAOYSA-N 1 1 282.815 2.887 50 0 CFAAMO C[C@@H]1C[C@@H]([N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181992 374328485 /nfs/dbraw/zinc/32/84/85/374328485.db2.gz QWXTXFFZGWJHRO-QDCKZUPOSA-N 1 1 277.408 2.839 50 0 CFAAMO Cc1[nH+]ccn1CCCCNC(=O)N1CCCCCC1 ZINC000074533565 374423651 /nfs/dbraw/zinc/42/36/51/374423651.db2.gz FEKCTFVSUOXKKY-UHFFFAOYSA-N 1 1 278.400 2.557 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000075132244 374460180 /nfs/dbraw/zinc/46/01/80/374460180.db2.gz XSAVNRBSNHCAPL-OAHLLOKOSA-N 1 1 288.395 2.979 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2SC)cc1 ZINC000076147384 374538233 /nfs/dbraw/zinc/53/82/33/374538233.db2.gz IZCUKMUINVPBRC-CABCVRRESA-N 1 1 292.448 2.762 50 0 CFAAMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccccc2)cc1 ZINC000079091226 374594094 /nfs/dbraw/zinc/59/40/94/374594094.db2.gz WXAJABABIRSYGO-QGZVFWFLSA-N 1 1 271.360 2.861 50 0 CFAAMO C[C@@H]1C[C@@H](NCc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338361 374649862 /nfs/dbraw/zinc/64/98/62/374649862.db2.gz MZSLYYFQKYPXIQ-ZBFHGGJFSA-N 1 1 284.407 2.552 50 0 CFAAMO Cc1nc2[nH]ccc2c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000081008894 374680930 /nfs/dbraw/zinc/68/09/30/374680930.db2.gz PPUUBHQIPZTQHR-KGLIPLIRSA-N 1 1 299.422 2.718 50 0 CFAAMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000083704389 374754365 /nfs/dbraw/zinc/75/43/65/374754365.db2.gz KGQDKQBTTVUIMI-XJKSGUPXSA-N 1 1 262.372 2.884 50 0 CFAAMO Nc1ccc2c(c1)[nH+]cnc2NCCc1ccccc1 ZINC000087819721 374831389 /nfs/dbraw/zinc/83/13/89/374831389.db2.gz MGUMMRMCFWCAQA-UHFFFAOYSA-N 1 1 264.332 2.867 50 0 CFAAMO Nc1cccc2c1[C@@H]1Cc3ccccc3C[N@@H+]1CC2 ZINC000085210705 374798476 /nfs/dbraw/zinc/79/84/76/374798476.db2.gz QPEHFLDDDJRDBU-INIZCTEOSA-N 1 1 250.345 2.924 50 0 CFAAMO Nc1cccc2c1[C@@H]1Cc3ccccc3C[N@H+]1CC2 ZINC000085210705 374798486 /nfs/dbraw/zinc/79/84/86/374798486.db2.gz QPEHFLDDDJRDBU-INIZCTEOSA-N 1 1 250.345 2.924 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC(C2CC2)C2CC2)C1 ZINC000084597487 374783231 /nfs/dbraw/zinc/78/32/31/374783231.db2.gz GKARATYDYVGKNL-ZDUSSCGKSA-N 1 1 293.455 2.595 50 0 CFAAMO CCc1cccc(C)c1NC(=O)C[NH2+]Cc1ccccn1 ZINC000089289546 374894142 /nfs/dbraw/zinc/89/41/42/374894142.db2.gz AIYRNCROTWWHTJ-UHFFFAOYSA-N 1 1 283.375 2.681 50 0 CFAAMO CSCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000089688794 374936696 /nfs/dbraw/zinc/93/66/96/374936696.db2.gz KMNLDNYZEDYSMR-CYBMUJFWSA-N 1 1 280.437 2.925 50 0 CFAAMO CSCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000089688794 374936704 /nfs/dbraw/zinc/93/67/04/374936704.db2.gz KMNLDNYZEDYSMR-CYBMUJFWSA-N 1 1 280.437 2.925 50 0 CFAAMO CSCC1(C[N@H+](C)Cc2nnc(C3CC3)n2C)CCC1 ZINC000089741321 374944251 /nfs/dbraw/zinc/94/42/51/374944251.db2.gz HWANPMFCPMWTDA-UHFFFAOYSA-N 1 1 294.468 2.658 50 0 CFAAMO CSCC1(C[N@@H+](C)Cc2nnc(C3CC3)n2C)CCC1 ZINC000089741321 374944262 /nfs/dbraw/zinc/94/42/62/374944262.db2.gz HWANPMFCPMWTDA-UHFFFAOYSA-N 1 1 294.468 2.658 50 0 CFAAMO C(C1CC1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000089819271 374957846 /nfs/dbraw/zinc/95/78/46/374957846.db2.gz ZCYQXAKHDBGLRJ-CQSZACIVSA-N 1 1 274.412 2.594 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCCSCC2)c(C)c1 ZINC000089984250 374981948 /nfs/dbraw/zinc/98/19/48/374981948.db2.gz SBMNVXSXJMCLKH-UHFFFAOYSA-N 1 1 278.421 2.681 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+]2CCCSCC2)c(C)c1 ZINC000089984250 374981956 /nfs/dbraw/zinc/98/19/56/374981956.db2.gz SBMNVXSXJMCLKH-UHFFFAOYSA-N 1 1 278.421 2.681 50 0 CFAAMO c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cs1 ZINC000093134499 375191487 /nfs/dbraw/zinc/19/14/87/375191487.db2.gz ZDQZHIBKABKSCI-CYBMUJFWSA-N 1 1 288.420 2.665 50 0 CFAAMO Fc1ccc(Cl)cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000093646314 375284723 /nfs/dbraw/zinc/28/47/23/375284723.db2.gz PGTOMULDNIVJLC-UHFFFAOYSA-N 1 1 294.761 2.977 50 0 CFAAMO Clc1cnccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000094266986 375348749 /nfs/dbraw/zinc/34/87/49/375348749.db2.gz STLKZQAMSGBZTP-WDEREUQCSA-N 1 1 251.761 2.774 50 0 CFAAMO COc1ccc([C@@H]2CCCN2c2cc[nH+]cc2C(N)=O)cc1 ZINC000095467674 375458562 /nfs/dbraw/zinc/45/85/62/375458562.db2.gz DEFXNSGPGLQCKZ-HNNXBMFYSA-N 1 1 297.358 2.531 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1Cn1sc2ccccc2c1=O ZINC000095366415 375421211 /nfs/dbraw/zinc/42/12/11/375421211.db2.gz NPODVIUTFCBYEZ-LLVKDONJSA-N 1 1 262.378 2.547 50 0 CFAAMO Cc1ccc(CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000095372096 375422825 /nfs/dbraw/zinc/42/28/25/375422825.db2.gz GXFVKUAALYDXHN-AWEZNQCLSA-N 1 1 278.396 2.511 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1c1nc(-c2cn3ccccc3n2)no1 ZINC000095384693 375427463 /nfs/dbraw/zinc/42/74/63/375427463.db2.gz ZVAGTSOZXZXJDM-ZDUSSCGKSA-N 1 1 297.362 2.931 50 0 CFAAMO COc1ccc(C)nc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000096153953 375470522 /nfs/dbraw/zinc/47/05/22/375470522.db2.gz BGWGGXQYLMOXTA-UHFFFAOYSA-N 1 1 298.386 2.898 50 0 CFAAMO c1ncn(CC[N@H+]2C[C@H]3CCCC[C@]32c2ccccc2)n1 ZINC000095426353 375443703 /nfs/dbraw/zinc/44/37/03/375443703.db2.gz BKTFDQBXFAUFBV-SJORKVTESA-N 1 1 282.391 2.679 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCSc1ccccc1S(C)(=O)=O ZINC000095442175 375451313 /nfs/dbraw/zinc/45/13/13/375451313.db2.gz RTKUQMIOMLWJIQ-LBPRGKRZSA-N 1 1 299.461 2.667 50 0 CFAAMO COCCCN1CCC([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000097146563 375531657 /nfs/dbraw/zinc/53/16/57/375531657.db2.gz VOSZRWVKSHDDNX-YQQAZPJKSA-N 1 1 282.472 2.902 50 0 CFAAMO COC[C@H](C)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000097038052 375498594 /nfs/dbraw/zinc/49/85/94/375498594.db2.gz ZZBWTEBKYGQAMK-SOUVJXGZSA-N 1 1 292.423 2.743 50 0 CFAAMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H]2C)c1 ZINC000097094658 375514507 /nfs/dbraw/zinc/51/45/07/375514507.db2.gz MZAHHXKNYBXLQO-CQSZACIVSA-N 1 1 281.421 2.643 50 0 CFAAMO Cn1c[nH+]cc1CCNc1nc(C(F)(F)F)cs1 ZINC000097109580 375521923 /nfs/dbraw/zinc/52/19/23/375521923.db2.gz QZMZMDAXZUKRAW-UHFFFAOYSA-N 1 1 276.287 2.550 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000097108473 375522041 /nfs/dbraw/zinc/52/20/41/375522041.db2.gz ZFILPGGGRGTZSI-GXZXJKLZSA-N 1 1 257.443 2.656 50 0 CFAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000097139200 375527769 /nfs/dbraw/zinc/52/77/69/375527769.db2.gz TUVVMUPIHSCSPM-ZDUSSCGKSA-N 1 1 275.421 2.936 50 0 CFAAMO Oc1cccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000097259328 375546930 /nfs/dbraw/zinc/54/69/30/375546930.db2.gz ASMUUJRLIBPHSM-CQSZACIVSA-N 1 1 269.348 2.562 50 0 CFAAMO C[C@@H](C[N@@H+](C)CC1(CO)CCOCC1)c1ccccc1 ZINC000097499623 375567038 /nfs/dbraw/zinc/56/70/38/375567038.db2.gz TZPPCZOQVOJXMP-HNNXBMFYSA-N 1 1 277.408 2.511 50 0 CFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)CCc1ccccc1 ZINC000097515091 375568680 /nfs/dbraw/zinc/56/86/80/375568680.db2.gz ARBOYYAMJZPWNZ-AWEZNQCLSA-N 1 1 255.365 2.582 50 0 CFAAMO C[N@H+]1CCCC[C@H]1C(=O)NCCCSc1ccccc1 ZINC000097575076 375568772 /nfs/dbraw/zinc/56/87/72/375568772.db2.gz QVMYGEZMRGWVQQ-HNNXBMFYSA-N 1 1 292.448 2.769 50 0 CFAAMO CCCn1ncc(C[N@@H+](C)C2CCSCC2)c1C ZINC000097674319 375577406 /nfs/dbraw/zinc/57/74/06/375577406.db2.gz VAOISROIEJCEQP-UHFFFAOYSA-N 1 1 267.442 2.929 50 0 CFAAMO C[C@@H](NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000104011326 375764372 /nfs/dbraw/zinc/76/43/72/375764372.db2.gz YRHUUZVOZRYUGB-FRRDWIJNSA-N 1 1 280.437 2.903 50 0 CFAAMO Cc1nc(CC[NH+]2CCC(c3ccn[nH]3)CC2)cs1 ZINC000120291165 376586282 /nfs/dbraw/zinc/58/62/82/376586282.db2.gz GIIGNFDLXYHLGI-UHFFFAOYSA-N 1 1 276.409 2.597 50 0 CFAAMO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000058214894 284649355 /nfs/dbraw/zinc/64/93/55/284649355.db2.gz JQWYLTPUOLVUDO-UHFFFAOYSA-N 1 1 298.308 2.626 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccncc1 ZINC000170594875 379122658 /nfs/dbraw/zinc/12/26/58/379122658.db2.gz QBPIPSQCQXFTMM-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccncc1 ZINC000170594875 379122662 /nfs/dbraw/zinc/12/26/62/379122662.db2.gz QBPIPSQCQXFTMM-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000172575611 379598573 /nfs/dbraw/zinc/59/85/73/379598573.db2.gz LFKRFSRBTDZNQA-MRXNPFEDSA-N 1 1 284.403 2.939 50 0 CFAAMO CC(=O)N1CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC000179811276 380583603 /nfs/dbraw/zinc/58/36/03/380583603.db2.gz GFEPAANAMBQRGX-UHFFFAOYSA-N 1 1 288.416 2.956 50 0 CFAAMO COC1CC([N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000408514970 380936048 /nfs/dbraw/zinc/93/60/48/380936048.db2.gz CXWVASZZUZWHRR-UHFFFAOYSA-N 1 1 283.375 2.829 50 0 CFAAMO OCC[C@H]1CC[N@@H+](CCCc2cncc3ccccc32)C1 ZINC000408525509 380942982 /nfs/dbraw/zinc/94/29/82/380942982.db2.gz LWKYZNIOCFRYFV-OAHLLOKOSA-N 1 1 284.403 2.872 50 0 CFAAMO Cc1c(C[N@@H+]2CCC[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000000165155 169560159 /nfs/dbraw/zinc/56/01/59/169560159.db2.gz HTCXILRWISWNFQ-CQSZACIVSA-N 1 1 299.418 2.716 50 0 CFAAMO CC(C)(C)[N@H+]1CC[C@@](F)(c2nc(-c3ccncc3)no2)C1 ZINC000289666340 381091771 /nfs/dbraw/zinc/09/17/71/381091771.db2.gz ACOPMZAULXIWIJ-HNNXBMFYSA-N 1 1 290.342 2.801 50 0 CFAAMO C[C@@H](O)CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000354832456 381475355 /nfs/dbraw/zinc/47/53/55/381475355.db2.gz HTHZREDLWOAXJN-CYBMUJFWSA-N 1 1 285.391 2.813 50 0 CFAAMO Cc1ccc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2n1 ZINC000372680390 381849612 /nfs/dbraw/zinc/84/96/12/381849612.db2.gz IAQXMHPXLAQSDP-IYBDPMFKSA-N 1 1 268.360 2.906 50 0 CFAAMO Cc1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2n1 ZINC000372680390 381849616 /nfs/dbraw/zinc/84/96/16/381849616.db2.gz IAQXMHPXLAQSDP-IYBDPMFKSA-N 1 1 268.360 2.906 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+](Cc2sccc2Cl)C1 ZINC000373256261 381962839 /nfs/dbraw/zinc/96/28/39/381962839.db2.gz AIFOJMSDHJAXMM-SNVBAGLBSA-N 1 1 259.802 2.996 50 0 CFAAMO c1csc(C2CN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)n1 ZINC000299773496 382046969 /nfs/dbraw/zinc/04/69/69/382046969.db2.gz DDNZQCMDHDIJLH-DZGCQCFKSA-N 1 1 291.464 2.807 50 0 CFAAMO O=C(NC1CCC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299791988 382047629 /nfs/dbraw/zinc/04/76/29/382047629.db2.gz DCRZOUZMKHTQEQ-BBWFWOEESA-N 1 1 284.403 2.881 50 0 CFAAMO COc1ccc2nc(C[N@H+]3CCC[C@H](OC)C3)sc2c1 ZINC000186940698 382051150 /nfs/dbraw/zinc/05/11/50/382051150.db2.gz PAYOBARLXLBBTE-LBPRGKRZSA-N 1 1 292.404 2.916 50 0 CFAAMO COc1ccc2nc(C[N@@H+]3CCC[C@H](OC)C3)sc2c1 ZINC000186940698 382051154 /nfs/dbraw/zinc/05/11/54/382051154.db2.gz PAYOBARLXLBBTE-LBPRGKRZSA-N 1 1 292.404 2.916 50 0 CFAAMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189060584 382533662 /nfs/dbraw/zinc/53/36/62/382533662.db2.gz KMYQREVSDNVTDC-JTQLQIEISA-N 1 1 284.762 2.567 50 0 CFAAMO CC[N@H+](Cc1ccccn1)[C@H]1CCc2ccccc2NC1=O ZINC000192068898 382704655 /nfs/dbraw/zinc/70/46/55/382704655.db2.gz XUZPABWQQYWUEL-KRWDZBQOSA-N 1 1 295.386 2.857 50 0 CFAAMO CC[N@@H+](Cc1ccccn1)[C@H]1CCc2ccccc2NC1=O ZINC000192068898 382704656 /nfs/dbraw/zinc/70/46/56/382704656.db2.gz XUZPABWQQYWUEL-KRWDZBQOSA-N 1 1 295.386 2.857 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000193699331 382722771 /nfs/dbraw/zinc/72/27/71/382722771.db2.gz WKFQLSWBGAJWCD-YOEHRIQHSA-N 1 1 274.408 2.781 50 0 CFAAMO O=C(N[C@@H]1CC=CCC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000195530529 382769131 /nfs/dbraw/zinc/76/91/31/382769131.db2.gz YYZYOMGPPKSSSN-IAGOWNOFSA-N 1 1 299.418 2.661 50 0 CFAAMO O=C(N[C@@H]1CC=CCC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000195530529 382769134 /nfs/dbraw/zinc/76/91/34/382769134.db2.gz YYZYOMGPPKSSSN-IAGOWNOFSA-N 1 1 299.418 2.661 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000195549525 382769547 /nfs/dbraw/zinc/76/95/47/382769547.db2.gz URWBSVFZEIGXOS-KGLIPLIRSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000195549525 382769549 /nfs/dbraw/zinc/76/95/49/382769549.db2.gz URWBSVFZEIGXOS-KGLIPLIRSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000195549525 382769551 /nfs/dbraw/zinc/76/95/51/382769551.db2.gz URWBSVFZEIGXOS-KGLIPLIRSA-N 1 1 287.407 2.822 50 0 CFAAMO COc1ccnc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000195559725 382769813 /nfs/dbraw/zinc/76/98/13/382769813.db2.gz SSUXUIVDOYZOHH-GFCCVEGCSA-N 1 1 299.374 2.899 50 0 CFAAMO CCn1cc(C[N@@H+]2CC[C@@H](n3c(C)cnc3C3CC3)C2)cn1 ZINC000575547950 382773822 /nfs/dbraw/zinc/77/38/22/382773822.db2.gz AZHZNBCJNWIXQO-MRXNPFEDSA-N 1 1 299.422 2.732 50 0 CFAAMO CCn1cc(C[N@H+]2CC[C@@H](n3c(C)cnc3C3CC3)C2)cn1 ZINC000575547950 382773824 /nfs/dbraw/zinc/77/38/24/382773824.db2.gz AZHZNBCJNWIXQO-MRXNPFEDSA-N 1 1 299.422 2.732 50 0 CFAAMO Cc1cccc(-n2cc(C[N@H+](C)C3CCOCC3)cn2)c1 ZINC000215198042 382778174 /nfs/dbraw/zinc/77/81/74/382778174.db2.gz OQQDSODDVFCONQ-UHFFFAOYSA-N 1 1 285.391 2.792 50 0 CFAAMO CCCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)o1 ZINC000215422677 382778477 /nfs/dbraw/zinc/77/84/77/382778477.db2.gz KRWKYVMGRSQWEH-UONOGXRCSA-N 1 1 262.397 2.758 50 0 CFAAMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000215571361 382779562 /nfs/dbraw/zinc/77/95/62/382779562.db2.gz NENKHRGSSUZAQY-HNNXBMFYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)n1 ZINC000215571361 382779563 /nfs/dbraw/zinc/77/95/63/382779563.db2.gz NENKHRGSSUZAQY-HNNXBMFYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)n1 ZINC000215571361 382779564 /nfs/dbraw/zinc/77/95/64/382779564.db2.gz NENKHRGSSUZAQY-HNNXBMFYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)n[nH]1 ZINC000215571361 382779565 /nfs/dbraw/zinc/77/95/65/382779565.db2.gz NENKHRGSSUZAQY-HNNXBMFYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)n[nH]1 ZINC000215571361 382779566 /nfs/dbraw/zinc/77/95/66/382779566.db2.gz NENKHRGSSUZAQY-HNNXBMFYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000215571320 382779850 /nfs/dbraw/zinc/77/98/50/382779850.db2.gz NENKHRGSSUZAQY-OAHLLOKOSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)n1 ZINC000215571320 382779852 /nfs/dbraw/zinc/77/98/52/382779852.db2.gz NENKHRGSSUZAQY-OAHLLOKOSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)n1 ZINC000215571320 382779854 /nfs/dbraw/zinc/77/98/54/382779854.db2.gz NENKHRGSSUZAQY-OAHLLOKOSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)n[nH]1 ZINC000215571320 382779856 /nfs/dbraw/zinc/77/98/56/382779856.db2.gz NENKHRGSSUZAQY-OAHLLOKOSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)n[nH]1 ZINC000215571320 382779857 /nfs/dbraw/zinc/77/98/57/382779857.db2.gz NENKHRGSSUZAQY-OAHLLOKOSA-N 1 1 295.390 2.974 50 0 CFAAMO COc1cc(C[N@@H+](C)CC2(CO)CCCC2)ccc1F ZINC000215600152 382779879 /nfs/dbraw/zinc/77/98/79/382779879.db2.gz AJWLKODSLPMXMI-UHFFFAOYSA-N 1 1 281.371 2.819 50 0 CFAAMO Cc1ccc(CCCNC(=O)C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000215771133 382780152 /nfs/dbraw/zinc/78/01/52/382780152.db2.gz LHTBHTKQNRANRO-KRWDZBQOSA-N 1 1 288.435 2.918 50 0 CFAAMO C[N@@H+](Cc1cccc(Cn2cccn2)c1)C1CCOCC1 ZINC000215744942 382780177 /nfs/dbraw/zinc/78/01/77/382780177.db2.gz WSVRCQVKYWDAIB-UHFFFAOYSA-N 1 1 285.391 2.542 50 0 CFAAMO CC(C)c1cc(C[N@H+](C)Cc2ccc3nonc3c2)on1 ZINC000215734432 382780320 /nfs/dbraw/zinc/78/03/20/382780320.db2.gz NSGWPSNOHAAUQI-UHFFFAOYSA-N 1 1 286.335 2.966 50 0 CFAAMO CC(C)c1cc(C[N@@H+](C)Cc2ccc3nonc3c2)on1 ZINC000215734432 382780323 /nfs/dbraw/zinc/78/03/23/382780323.db2.gz NSGWPSNOHAAUQI-UHFFFAOYSA-N 1 1 286.335 2.966 50 0 CFAAMO CCc1nccc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000215859894 382780559 /nfs/dbraw/zinc/78/05/59/382780559.db2.gz OBKXHQJKOIZEBV-KRWDZBQOSA-N 1 1 296.418 2.528 50 0 CFAAMO Cc1c(F)cccc1C[N@@H+](C)CCCn1cccn1 ZINC000215812591 382780870 /nfs/dbraw/zinc/78/08/70/382780870.db2.gz DPMKMSJMRKFDSO-UHFFFAOYSA-N 1 1 261.344 2.853 50 0 CFAAMO CCc1nnc(C[N@@H+](CC)C[C@@H]2CCOC(C)(C)C2)o1 ZINC000216011543 382781681 /nfs/dbraw/zinc/78/16/81/382781681.db2.gz FCCWPAFDJOQUPW-GFCCVEGCSA-N 1 1 281.400 2.659 50 0 CFAAMO CCc1ccc(C[N@H+](C)Cc2ccncc2C)nc1 ZINC000216188935 382782127 /nfs/dbraw/zinc/78/21/27/382782127.db2.gz NYCJMYBZMIUGAN-UHFFFAOYSA-N 1 1 255.365 2.979 50 0 CFAAMO CCc1ccc(C[N@@H+](C)Cc2ccncc2C)nc1 ZINC000216188935 382782128 /nfs/dbraw/zinc/78/21/28/382782128.db2.gz NYCJMYBZMIUGAN-UHFFFAOYSA-N 1 1 255.365 2.979 50 0 CFAAMO CS[C@@H](C)CC[N@@H+](C)CCc1c(C)n[nH]c1C ZINC000216213599 382782656 /nfs/dbraw/zinc/78/26/56/382782656.db2.gz HDADJGMQBMKRAW-JTQLQIEISA-N 1 1 255.431 2.642 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+](C)C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000216292656 382783019 /nfs/dbraw/zinc/78/30/19/382783019.db2.gz MIJCFSUOKIXILJ-KRWDZBQOSA-N 1 1 288.435 2.795 50 0 CFAAMO CSc1ncc(CN(C)CC[N@@H+](C)C2CCCC2)cn1 ZINC000219206976 382792788 /nfs/dbraw/zinc/79/27/88/382792788.db2.gz JLFFSTXLFWNWCQ-UHFFFAOYSA-N 1 1 294.468 2.505 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000225259790 382813555 /nfs/dbraw/zinc/81/35/55/382813555.db2.gz COLXRMGKEGDIFK-DGCLKSJQSA-N 1 1 261.369 2.959 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000225259790 382813557 /nfs/dbraw/zinc/81/35/57/382813557.db2.gz COLXRMGKEGDIFK-DGCLKSJQSA-N 1 1 261.369 2.959 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000225272583 382813893 /nfs/dbraw/zinc/81/38/93/382813893.db2.gz WGWDMBICIBRNAI-PBHICJAKSA-N 1 1 285.391 2.729 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000225563660 382818288 /nfs/dbraw/zinc/81/82/88/382818288.db2.gz MHWLXAGRVWUKOX-ZIAGYGMSSA-N 1 1 255.402 2.944 50 0 CFAAMO Fc1cccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000230065932 382855092 /nfs/dbraw/zinc/85/50/92/382855092.db2.gz BLOYDQPNXRMDOQ-HZPDHXFCSA-N 1 1 279.355 2.848 50 0 CFAAMO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000230175420 382857135 /nfs/dbraw/zinc/85/71/35/382857135.db2.gz JZNZEWNJPCSUBN-ZBFHGGJFSA-N 1 1 294.345 2.792 50 0 CFAAMO CC(C)=CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000230175420 382857137 /nfs/dbraw/zinc/85/71/37/382857137.db2.gz JZNZEWNJPCSUBN-ZBFHGGJFSA-N 1 1 294.345 2.792 50 0 CFAAMO Cc1cccc(NC(=O)CC[N@H+](C)C2CCOCC2)c1C ZINC000240499932 382982566 /nfs/dbraw/zinc/98/25/66/382982566.db2.gz NPCQDBOIDDMXKY-UHFFFAOYSA-N 1 1 290.407 2.743 50 0 CFAAMO CCS[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC)C[C@H]2C)C1 ZINC000241588372 382983289 /nfs/dbraw/zinc/98/32/89/382983289.db2.gz PCPAWUNGKCLTJV-BARDWOONSA-N 1 1 270.486 2.981 50 0 CFAAMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCn2ccnc2)c1 ZINC000241316691 382983838 /nfs/dbraw/zinc/98/38/38/382983838.db2.gz LUBNCXLQDUSJGG-RHSMWYFYSA-N 1 1 285.391 2.975 50 0 CFAAMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccncc1 ZINC000242339002 382986044 /nfs/dbraw/zinc/98/60/44/382986044.db2.gz ZECYFNBJTFMRMD-CVEARBPZSA-N 1 1 259.397 2.530 50 0 CFAAMO Cc1ccc2[nH]c(CN3CC([N@@H+]4CCCC[C@H]4C)C3)nc2c1 ZINC000244691715 382988954 /nfs/dbraw/zinc/98/89/54/382988954.db2.gz JHYKSOZYIJFTBV-CQSZACIVSA-N 1 1 298.434 2.930 50 0 CFAAMO Cc1ccc2nc(CN3CC([N@H+]4CCCC[C@H]4C)C3)[nH]c2c1 ZINC000244691715 382988956 /nfs/dbraw/zinc/98/89/56/382988956.db2.gz JHYKSOZYIJFTBV-CQSZACIVSA-N 1 1 298.434 2.930 50 0 CFAAMO Cc1ccc2nc(CN3CC([N@@H+]4CCCC[C@H]4C)C3)[nH]c2c1 ZINC000244691715 382988959 /nfs/dbraw/zinc/98/89/59/382988959.db2.gz JHYKSOZYIJFTBV-CQSZACIVSA-N 1 1 298.434 2.930 50 0 CFAAMO COc1c[nH]c(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1=O ZINC000244626592 382989309 /nfs/dbraw/zinc/98/93/09/382989309.db2.gz FOONKJGDMJOGKS-AWEZNQCLSA-N 1 1 285.347 2.528 50 0 CFAAMO COc1c[nH]c(C[N@H+]2CCC[C@H]2c2ccccn2)cc1=O ZINC000244626592 382989312 /nfs/dbraw/zinc/98/93/12/382989312.db2.gz FOONKJGDMJOGKS-AWEZNQCLSA-N 1 1 285.347 2.528 50 0 CFAAMO Fc1ccc(C2=CC[N@@H+](C[C@@H]3CCOC3)CC2)cc1 ZINC000244748656 382991258 /nfs/dbraw/zinc/99/12/58/382991258.db2.gz OLVRCPJMXLVRHN-ZDUSSCGKSA-N 1 1 261.340 2.951 50 0 CFAAMO CCn1cncc1C[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000244734660 382991673 /nfs/dbraw/zinc/99/16/73/382991673.db2.gz NJQBJCKHGOCCRQ-AWEZNQCLSA-N 1 1 287.407 2.975 50 0 CFAAMO c1ccc(CO[C@H]2CCC[N@H+](C3CCSCC3)C2)nc1 ZINC000244852797 382993104 /nfs/dbraw/zinc/99/31/04/382993104.db2.gz UZEWATHUHSMVBV-INIZCTEOSA-N 1 1 292.448 2.958 50 0 CFAAMO Cc1nnc([C@@H]2CCC[N@@H+](CCCc3ccco3)C2)[nH]1 ZINC000244874128 382994478 /nfs/dbraw/zinc/99/44/78/382994478.db2.gz WUWKUXOGHUNPIP-CYBMUJFWSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCCc3ccco3)C2)n1 ZINC000244874128 382994480 /nfs/dbraw/zinc/99/44/80/382994480.db2.gz WUWKUXOGHUNPIP-CYBMUJFWSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCCc3ccco3)C2)n1 ZINC000244874128 382994483 /nfs/dbraw/zinc/99/44/83/382994483.db2.gz WUWKUXOGHUNPIP-CYBMUJFWSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+](CCCc3ccco3)C2)n[nH]1 ZINC000244874128 382994486 /nfs/dbraw/zinc/99/44/86/382994486.db2.gz WUWKUXOGHUNPIP-CYBMUJFWSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@@H+](CCCc3ccco3)C2)n[nH]1 ZINC000244874128 382994487 /nfs/dbraw/zinc/99/44/87/382994487.db2.gz WUWKUXOGHUNPIP-CYBMUJFWSA-N 1 1 274.368 2.518 50 0 CFAAMO c1n[nH]cc1CC[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000244900047 382995801 /nfs/dbraw/zinc/99/58/01/382995801.db2.gz ZVDPURHPBDKLOA-QGZVFWFLSA-N 1 1 284.407 2.835 50 0 CFAAMO CCC[C@H](C[N@H+](C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000245338715 382997472 /nfs/dbraw/zinc/99/74/72/382997472.db2.gz OAGMJIYLKKHOOL-CVEARBPZSA-N 1 1 295.448 2.689 50 0 CFAAMO CCC[C@H](C[N@@H+](C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000245338715 382997481 /nfs/dbraw/zinc/99/74/81/382997481.db2.gz OAGMJIYLKKHOOL-CVEARBPZSA-N 1 1 295.448 2.689 50 0 CFAAMO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000585132334 383116630 /nfs/dbraw/zinc/11/66/30/383116630.db2.gz ULRCFFVEGJVDJE-HBUWYVDXSA-N 1 1 286.419 2.768 50 0 CFAAMO Cn1cccc1C(=O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000248131439 383212719 /nfs/dbraw/zinc/21/27/19/383212719.db2.gz NFNNGSVLJPULFU-KBPBESRZSA-N 1 1 260.381 2.720 50 0 CFAAMO Fc1ccc(F)c(CN2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000247545404 383182921 /nfs/dbraw/zinc/18/29/21/383182921.db2.gz UKHDZFLSTJLHBB-AWEZNQCLSA-N 1 1 266.335 2.635 50 0 CFAAMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000248001950 383206183 /nfs/dbraw/zinc/20/61/83/383206183.db2.gz OBJGQKDFHUGAFB-VXGBXAGGSA-N 1 1 294.361 2.956 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000248010675 383206304 /nfs/dbraw/zinc/20/63/04/383206304.db2.gz XUUHWBJKVBJCFR-ZNMIVQPWSA-N 1 1 266.429 2.946 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccccc1F ZINC000248148515 383214589 /nfs/dbraw/zinc/21/45/89/383214589.db2.gz SNGIBDXFNZKJDM-LSDHHAIUSA-N 1 1 276.355 2.525 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000248122927 383211508 /nfs/dbraw/zinc/21/15/08/383211508.db2.gz KPZKKQMSCCAWDR-DLBZAZTESA-N 1 1 297.402 2.867 50 0 CFAAMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248827532 383295232 /nfs/dbraw/zinc/29/52/32/383295232.db2.gz GREDNBBARQQPKF-LSDHHAIUSA-N 1 1 275.396 2.775 50 0 CFAAMO C[N@@H+](CCn1cc(Cl)cn1)C(C1CC1)C1CC1 ZINC000252502439 383415450 /nfs/dbraw/zinc/41/54/50/383415450.db2.gz UQILBUGSEHMNAI-UHFFFAOYSA-N 1 1 253.777 2.657 50 0 CFAAMO Cc1nnc(C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)[nH]1 ZINC000426518314 383404277 /nfs/dbraw/zinc/40/42/77/383404277.db2.gz LKWQDQZWHSGGKG-CQSZACIVSA-N 1 1 270.380 2.739 50 0 CFAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000252481390 383411735 /nfs/dbraw/zinc/41/17/35/383411735.db2.gz CKJNBFHVKVYIDL-HKUYNNGSSA-N 1 1 297.398 2.903 50 0 CFAAMO Clc1cnccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250186249 383372848 /nfs/dbraw/zinc/37/28/48/383372848.db2.gz STLKZQAMSGBZTP-MNOVXSKESA-N 1 1 251.761 2.774 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCn1ccnc1-c1ccccn1 ZINC000253416114 383455974 /nfs/dbraw/zinc/45/59/74/383455974.db2.gz PGPOOVHVQPVLOX-AWEZNQCLSA-N 1 1 270.380 2.820 50 0 CFAAMO COC(=O)CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000253417253 383457830 /nfs/dbraw/zinc/45/78/30/383457830.db2.gz TUEZNEYDQQSEPK-LBPRGKRZSA-N 1 1 253.729 2.650 50 0 CFAAMO COC(=O)CC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000253417253 383457833 /nfs/dbraw/zinc/45/78/33/383457833.db2.gz TUEZNEYDQQSEPK-LBPRGKRZSA-N 1 1 253.729 2.650 50 0 CFAAMO C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000253424809 383459042 /nfs/dbraw/zinc/45/90/42/383459042.db2.gz HOFYJEDVKMCTEX-SMDDNHRTSA-N 1 1 282.771 2.509 50 0 CFAAMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000253432415 383459797 /nfs/dbraw/zinc/45/97/97/383459797.db2.gz YYMZOAOKBYQABS-MPTQWLOMSA-N 1 1 272.392 2.549 50 0 CFAAMO Cc1c[nH]c(C[N@H+](C)C2CCSCC2)c(C)c1=O ZINC000253536632 383462377 /nfs/dbraw/zinc/46/23/77/383462377.db2.gz IXWFFDKCPWCRSW-UHFFFAOYSA-N 1 1 266.410 2.731 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000252537780 383417703 /nfs/dbraw/zinc/41/77/03/383417703.db2.gz MHWLXAGRVWUKOX-KBPBESRZSA-N 1 1 255.402 2.944 50 0 CFAAMO Cc1ccsc1C[N@H+]1CCCCCCNC(=O)CC1 ZINC000257177518 383489905 /nfs/dbraw/zinc/48/99/05/383489905.db2.gz DXUPUTOHHXVCIY-UHFFFAOYSA-N 1 1 280.437 2.939 50 0 CFAAMO CCCn1c(C)c[nH+]c1[C@@H]1CCN(C(=O)NC(C)C)C1 ZINC000257191581 383492422 /nfs/dbraw/zinc/49/24/22/383492422.db2.gz PVPAQJKYAHHNEI-CYBMUJFWSA-N 1 1 278.400 2.509 50 0 CFAAMO c1ncc(C[NH2+]Cc2ccc3c(n2)CCCC3)s1 ZINC000277771515 384400071 /nfs/dbraw/zinc/40/00/71/384400071.db2.gz TYHINQRHNNYKTF-UHFFFAOYSA-N 1 1 259.378 2.707 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280348900 384983582 /nfs/dbraw/zinc/98/35/82/384983582.db2.gz IEGMFNHXAZMZLV-FMKPAKJESA-N 1 1 261.365 2.627 50 0 CFAAMO COC[C@](C)([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000096492199 533192688 /nfs/dbraw/zinc/19/26/88/533192688.db2.gz LZYYGUYOYDZYGQ-SFHVURJKSA-N 1 1 295.386 2.986 50 0 CFAAMO COc1cccc(C[N@H+]2CC[C@@H](CSC)C2)c1 ZINC000096417917 256789738 /nfs/dbraw/zinc/78/97/38/256789738.db2.gz JKSNOEZEKAQGID-CYBMUJFWSA-N 1 1 251.395 2.880 50 0 CFAAMO CC[N@@H+](C)C(C)(C)CNc1ncnc2nc(C)cc(C)c21 ZINC000095358584 184952105 /nfs/dbraw/zinc/95/21/05/184952105.db2.gz YSLGXVRNFWZOOS-UHFFFAOYSA-N 1 1 287.411 2.784 50 0 CFAAMO C[C@H]1CCCCN1C(=O)CCNc1cc[nH+]cc1Cl ZINC000095408582 184969756 /nfs/dbraw/zinc/96/97/56/184969756.db2.gz ITDWNHGTCOLGEG-NSHDSACASA-N 1 1 281.787 2.938 50 0 CFAAMO Cc1cc(C)c(C(N)=O)c(N2CC[C@@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000012973951 393477431 /nfs/dbraw/zinc/47/74/31/393477431.db2.gz KVFOLCVQRWYQJH-UONOGXRCSA-N 1 1 287.407 2.814 50 0 CFAAMO NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000022875214 393490565 /nfs/dbraw/zinc/49/05/65/393490565.db2.gz FNLFYBHUAIQAHA-GFCCVEGCSA-N 1 1 258.287 2.801 50 0 CFAAMO Cc1ccnc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000032593138 393514417 /nfs/dbraw/zinc/51/44/17/393514417.db2.gz AAAMTSWYSMQRJO-MRXNPFEDSA-N 1 1 282.391 2.719 50 0 CFAAMO CCC[C@H]1COCC[N@H+]1CCC(=O)NC1CCCCCC1 ZINC000065372821 393630980 /nfs/dbraw/zinc/63/09/80/393630980.db2.gz SOJYTCBQLLTLDW-INIZCTEOSA-N 1 1 296.455 2.716 50 0 CFAAMO Cc1nc(N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)nc2ccccc12 ZINC000067964926 393634391 /nfs/dbraw/zinc/63/43/91/393634391.db2.gz GPCSPGYZVIJLKZ-UONOGXRCSA-N 1 1 282.391 2.611 50 0 CFAAMO CC(C)Oc1ccccc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000069417830 393637379 /nfs/dbraw/zinc/63/73/79/393637379.db2.gz PAYXOQCNESJZGV-UKRRQHHQSA-N 1 1 290.407 2.560 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C ZINC000239782584 393797880 /nfs/dbraw/zinc/79/78/80/393797880.db2.gz CPLGFGVZGNQBRG-HPZZRFSDSA-N 1 1 284.403 2.785 50 0 CFAAMO CC(C)CO[C@@H]1C[C@H]([N@@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009222 393814629 /nfs/dbraw/zinc/81/46/29/393814629.db2.gz QEYALEIOZVTYGS-LSDHHAIUSA-N 1 1 296.455 2.556 50 0 CFAAMO O=C(N[C@H]1CC=CCC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096412784 393825241 /nfs/dbraw/zinc/82/52/41/393825241.db2.gz YYZYOMGPPKSSSN-DLBZAZTESA-N 1 1 299.418 2.661 50 0 CFAAMO O=C(N[C@H]1CC=CCC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096412784 393825246 /nfs/dbraw/zinc/82/52/46/393825246.db2.gz YYZYOMGPPKSSSN-DLBZAZTESA-N 1 1 299.418 2.661 50 0 CFAAMO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000096414984 393825888 /nfs/dbraw/zinc/82/58/88/393825888.db2.gz KYLMXVANZPRWHC-ZBFHGGJFSA-N 1 1 291.366 2.899 50 0 CFAAMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1CC1 ZINC000096423833 393828480 /nfs/dbraw/zinc/82/84/80/393828480.db2.gz QRQNUAYYKHBVND-UHFFFAOYSA-N 1 1 298.386 2.938 50 0 CFAAMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1CC1 ZINC000096423833 393828485 /nfs/dbraw/zinc/82/84/85/393828485.db2.gz QRQNUAYYKHBVND-UHFFFAOYSA-N 1 1 298.386 2.938 50 0 CFAAMO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000110713806 393881790 /nfs/dbraw/zinc/88/17/90/393881790.db2.gz NAOHLSLOFDOBLS-CZUORRHYSA-N 1 1 263.381 2.564 50 0 CFAAMO CC(C)c1ccc([C@@H](C)[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000110713806 393881794 /nfs/dbraw/zinc/88/17/94/393881794.db2.gz NAOHLSLOFDOBLS-CZUORRHYSA-N 1 1 263.381 2.564 50 0 CFAAMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CCCSC1 ZINC000097084760 393840888 /nfs/dbraw/zinc/84/08/88/393840888.db2.gz GXOZOOABNSOBDQ-ZDUSSCGKSA-N 1 1 293.436 2.534 50 0 CFAAMO C[C@H]1CC[N@@H+](Cc2cnc(N(C)C)s2)CCS1 ZINC000276989895 394053781 /nfs/dbraw/zinc/05/37/81/394053781.db2.gz GQAASOJGCQVSCY-JTQLQIEISA-N 1 1 271.455 2.537 50 0 CFAAMO CCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000000525729 397535375 /nfs/dbraw/zinc/53/53/75/397535375.db2.gz BZYJTNJQADRYCE-HOCLYGCPSA-N 1 1 272.392 2.929 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(F)(F)F ZINC000001228451 397536171 /nfs/dbraw/zinc/53/61/71/397536171.db2.gz BUKDWQICSAAFJH-AAEUAGOBSA-N 1 1 298.308 2.692 50 0 CFAAMO OCc1cccc(-c2nc3c([nH]2)C[N@H+](C2CCCC2)CC3)c1 ZINC000220287006 397621493 /nfs/dbraw/zinc/62/14/93/397621493.db2.gz NCALWQMRTMSWJF-UHFFFAOYSA-N 1 1 297.402 2.870 50 0 CFAAMO CC[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)N(C)C ZINC000351583080 163150264 /nfs/dbraw/zinc/15/02/64/163150264.db2.gz GXDXCOAPBFVICF-AWEZNQCLSA-N 1 1 288.395 2.811 50 0 CFAAMO Cc1ccc2cc(C[NH2+]Cc3ccco3)c(=O)[nH]c2c1 ZINC000004993225 170051215 /nfs/dbraw/zinc/05/12/15/170051215.db2.gz MYBBCQNWHAQBTO-UHFFFAOYSA-N 1 1 268.316 2.719 50 0 CFAAMO O=C(C[NH+]1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000005000522 170052644 /nfs/dbraw/zinc/05/26/44/170052644.db2.gz XOARAZURZLJCFA-UHFFFAOYSA-N 1 1 288.269 2.620 50 0 CFAAMO C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CCCCC1 ZINC000005674908 170126909 /nfs/dbraw/zinc/12/69/09/170126909.db2.gz NWHQDHLGPCUEJD-QGZVFWFLSA-N 1 1 277.408 2.829 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000006046571 170171652 /nfs/dbraw/zinc/17/16/52/170171652.db2.gz OFBOGVQNRPSOQN-UHFFFAOYSA-N 1 1 287.190 2.771 50 0 CFAAMO O=C(CN1c2ccccc2N2CCC[NH+]=C12)c1ccco1 ZINC000006616523 170219435 /nfs/dbraw/zinc/21/94/35/170219435.db2.gz UHCJZBASGYRZIW-UHFFFAOYSA-N 1 1 281.315 2.549 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2)no1 ZINC000008532407 170338992 /nfs/dbraw/zinc/33/89/92/170338992.db2.gz AGIKJPNOZVPXSV-NSHDSACASA-N 1 1 291.326 2.581 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2)no1 ZINC000008532407 170338993 /nfs/dbraw/zinc/33/89/93/170338993.db2.gz AGIKJPNOZVPXSV-NSHDSACASA-N 1 1 291.326 2.581 50 0 CFAAMO C[N@H+](CC(=O)NC1CCCCC1)Cc1cccs1 ZINC000009217740 170366864 /nfs/dbraw/zinc/36/68/64/170366864.db2.gz FJQPJEXMXZXJJQ-UHFFFAOYSA-N 1 1 266.410 2.629 50 0 CFAAMO C[N@@H+](CC(=O)NC1CCCCC1)Cc1cccs1 ZINC000009217740 170366866 /nfs/dbraw/zinc/36/68/66/170366866.db2.gz FJQPJEXMXZXJJQ-UHFFFAOYSA-N 1 1 266.410 2.629 50 0 CFAAMO O=C(C[NH+]1CCCCCC1)Nc1ccnn1C1CCCC1 ZINC000009514062 170379759 /nfs/dbraw/zinc/37/97/59/170379759.db2.gz CZXJQZCITKQKID-UHFFFAOYSA-N 1 1 290.411 2.813 50 0 CFAAMO CC(=O)Nc1ccc(CNCCC[NH+]2CCCCC2)cc1 ZINC000020128729 171016688 /nfs/dbraw/zinc/01/66/88/171016688.db2.gz UBNCMGRSDIINOT-UHFFFAOYSA-N 1 1 289.423 2.611 50 0 CFAAMO O[C@H](C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000020218790 171081973 /nfs/dbraw/zinc/08/19/73/171081973.db2.gz OMKPBKIXBACXLH-LJQANCHMSA-N 1 1 296.414 2.538 50 0 CFAAMO CC[C@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CC[N@H+]1C ZINC000020256017 171110268 /nfs/dbraw/zinc/11/02/68/171110268.db2.gz XSDSFBQKBOUZOH-INIZCTEOSA-N 1 1 284.407 2.603 50 0 CFAAMO CC[C@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CC[N@@H+]1C ZINC000020256017 171110270 /nfs/dbraw/zinc/11/02/70/171110270.db2.gz XSDSFBQKBOUZOH-INIZCTEOSA-N 1 1 284.407 2.603 50 0 CFAAMO CC[C@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CC[N@H+]1C ZINC000020256017 171110272 /nfs/dbraw/zinc/11/02/72/171110272.db2.gz XSDSFBQKBOUZOH-INIZCTEOSA-N 1 1 284.407 2.603 50 0 CFAAMO CC[NH+]1CCN(CCSc2ccc(C)cc2)CC1 ZINC000020390108 171178924 /nfs/dbraw/zinc/17/89/24/171178924.db2.gz LUZICMKSJCWFHG-UHFFFAOYSA-N 1 1 264.438 2.725 50 0 CFAAMO CCN1CC[NH+](CCCOc2cccc(C)c2C)CC1 ZINC000020390190 171179209 /nfs/dbraw/zinc/17/92/09/171179209.db2.gz AWNLAHWDXSRCGO-UHFFFAOYSA-N 1 1 276.424 2.710 50 0 CFAAMO Cc1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCOCC1 ZINC000020455755 171208433 /nfs/dbraw/zinc/20/84/33/171208433.db2.gz QKMFXBREWZSGIQ-UHFFFAOYSA-N 1 1 271.364 2.607 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020515104 171232114 /nfs/dbraw/zinc/23/21/14/171232114.db2.gz QTJRTZZZOZKBGA-HUUCEWRRSA-N 1 1 287.407 2.956 50 0 CFAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000020534123 171240812 /nfs/dbraw/zinc/24/08/12/171240812.db2.gz XEEAHHONRAKSOO-QGZVFWFLSA-N 1 1 298.434 2.549 50 0 CFAAMO CC(=O)c1ccccc1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020653305 171269108 /nfs/dbraw/zinc/26/91/08/171269108.db2.gz YRNSWJKBRZCTGV-KBPBESRZSA-N 1 1 291.391 2.767 50 0 CFAAMO CCCC[N@H+](CCCCO)C[C@H]1CCCN(C(C)C)C1 ZINC000020864280 171276782 /nfs/dbraw/zinc/27/67/82/171276782.db2.gz QHAUDDBHXNALJV-QGZVFWFLSA-N 1 1 284.488 2.981 50 0 CFAAMO CCCC[N@@H+](CCCCO)C[C@H]1CCCN(C(C)C)C1 ZINC000020864280 171276783 /nfs/dbraw/zinc/27/67/83/171276783.db2.gz QHAUDDBHXNALJV-QGZVFWFLSA-N 1 1 284.488 2.981 50 0 CFAAMO CC[N@@H+](CCOC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000020864020 171276981 /nfs/dbraw/zinc/27/69/81/171276981.db2.gz NPOCJONUKIHYMP-UHFFFAOYSA-N 1 1 259.353 2.545 50 0 CFAAMO CC[N@H+](CCOC)Cc1c[nH]c(-c2ccccc2)n1 ZINC000020864020 171276983 /nfs/dbraw/zinc/27/69/83/171276983.db2.gz NPOCJONUKIHYMP-UHFFFAOYSA-N 1 1 259.353 2.545 50 0 CFAAMO CC[N@@H+](CCOC)Cc1c[nH]c(-c2ccccc2)n1 ZINC000020864020 171276985 /nfs/dbraw/zinc/27/69/85/171276985.db2.gz NPOCJONUKIHYMP-UHFFFAOYSA-N 1 1 259.353 2.545 50 0 CFAAMO c1cc([C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)n[nH]1 ZINC000020992244 171283742 /nfs/dbraw/zinc/28/37/42/171283742.db2.gz BVJMONLBXWTBKK-GFCCVEGCSA-N 1 1 285.347 2.518 50 0 CFAAMO CC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000021794002 171324595 /nfs/dbraw/zinc/32/45/95/171324595.db2.gz AXGFCAORKGEVAF-UHFFFAOYSA-N 1 1 285.351 2.553 50 0 CFAAMO CC(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000021794002 171324597 /nfs/dbraw/zinc/32/45/97/171324597.db2.gz AXGFCAORKGEVAF-UHFFFAOYSA-N 1 1 285.351 2.553 50 0 CFAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)cc1C ZINC000022078323 171352667 /nfs/dbraw/zinc/35/26/67/171352667.db2.gz WDDAKVWJJVGPSO-GOEBONIOSA-N 1 1 274.408 2.672 50 0 CFAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1c(F)cccc1F ZINC000022078397 171352687 /nfs/dbraw/zinc/35/26/87/171352687.db2.gz UNZAXWODHKWUBV-XHDPSFHLSA-N 1 1 266.335 2.633 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1 ZINC000025076117 171448893 /nfs/dbraw/zinc/44/88/93/171448893.db2.gz GAPUVRGWPSWGOP-HNNXBMFYSA-N 1 1 289.423 2.750 50 0 CFAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000105707803 287262564 /nfs/dbraw/zinc/26/25/64/287262564.db2.gz DDAZDALYJHJOLG-RDBSUJKOSA-N 1 1 252.402 2.650 50 0 CFAAMO CC[C@H]1COCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000037329018 173130195 /nfs/dbraw/zinc/13/01/95/173130195.db2.gz DYXKGBWCOWQNNV-HNNXBMFYSA-N 1 1 261.365 2.760 50 0 CFAAMO CC[C@H]1COCC[N@H+]1CCCC(=O)c1ccccc1 ZINC000037329018 173130196 /nfs/dbraw/zinc/13/01/96/173130196.db2.gz DYXKGBWCOWQNNV-HNNXBMFYSA-N 1 1 261.365 2.760 50 0 CFAAMO CC1CCN(C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000039794770 174173016 /nfs/dbraw/zinc/17/30/16/174173016.db2.gz WWYICTGGCFWOCN-HNNXBMFYSA-N 1 1 271.408 2.770 50 0 CFAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCC[C@@H]1C ZINC000040009436 174182677 /nfs/dbraw/zinc/18/26/77/174182677.db2.gz DDAZDALYJHJOLG-MELADBBJSA-N 1 1 252.402 2.650 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1ccc(F)cc1 ZINC000040107545 174192127 /nfs/dbraw/zinc/19/21/27/174192127.db2.gz LYJJHBBDTQTUJO-RNVIBTMRSA-N 1 1 290.382 2.830 50 0 CFAAMO COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533352 175197880 /nfs/dbraw/zinc/19/78/80/175197880.db2.gz VFETUJSFKPCWAY-LSDHHAIUSA-N 1 1 276.424 2.558 50 0 CFAAMO C[C@@H](C(N)=O)[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000046054966 175391145 /nfs/dbraw/zinc/39/11/45/175391145.db2.gz MRDZRNNDCOVKEW-GUYCJALGSA-N 1 1 280.371 2.508 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCCCC1 ZINC000046089356 175392842 /nfs/dbraw/zinc/39/28/42/175392842.db2.gz KNDJSPZNMFAPGY-CQSZACIVSA-N 1 1 278.421 2.898 50 0 CFAAMO Fc1ccc([C@H]2C[N@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804923 176267279 /nfs/dbraw/zinc/26/72/79/176267279.db2.gz FTFPYXJYQOPKPK-QGZVFWFLSA-N 1 1 286.350 2.837 50 0 CFAAMO Fc1ccc([C@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804923 176267280 /nfs/dbraw/zinc/26/72/80/176267280.db2.gz FTFPYXJYQOPKPK-QGZVFWFLSA-N 1 1 286.350 2.837 50 0 CFAAMO Cn1nccc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000071808723 176267855 /nfs/dbraw/zinc/26/78/55/176267855.db2.gz YPTOLZBXDPVYKK-INIZCTEOSA-N 1 1 269.392 2.842 50 0 CFAAMO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000071821851 176270574 /nfs/dbraw/zinc/27/05/74/176270574.db2.gz OANBZAVNZJWAFE-UHFFFAOYSA-N 1 1 287.363 2.726 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CCc2ccccn2)n1 ZINC000071878659 176286904 /nfs/dbraw/zinc/28/69/04/176286904.db2.gz IESRYGRUBDHULQ-KRWDZBQOSA-N 1 1 284.407 2.602 50 0 CFAAMO c1cnn(CC[NH2+]Cc2csc(Cc3ccccc3)n2)c1 ZINC000071879213 176287340 /nfs/dbraw/zinc/28/73/40/176287340.db2.gz DPDQDHJFHMJSBD-UHFFFAOYSA-N 1 1 298.415 2.720 50 0 CFAAMO CC[C@@H](C)C(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000071911417 176298342 /nfs/dbraw/zinc/29/83/42/176298342.db2.gz SGSTZAXJLKAIIC-OCCSQVGLSA-N 1 1 275.396 2.839 50 0 CFAAMO CC[C@@H](C)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000071919811 176299880 /nfs/dbraw/zinc/29/98/80/176299880.db2.gz SNVIQEZPEVIMIF-QLFBSQMISA-N 1 1 283.460 2.842 50 0 CFAAMO O=c1[nH]c2ccccc2cc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071939941 176303178 /nfs/dbraw/zinc/30/31/78/176303178.db2.gz WRHVLAHSOUXIHZ-ZDUSSCGKSA-N 1 1 297.402 2.514 50 0 CFAAMO O=c1[nH]c2ccccc2cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071939941 176303180 /nfs/dbraw/zinc/30/31/80/176303180.db2.gz WRHVLAHSOUXIHZ-ZDUSSCGKSA-N 1 1 297.402 2.514 50 0 CFAAMO COc1ccnc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)c1 ZINC000072137371 176323075 /nfs/dbraw/zinc/32/30/75/176323075.db2.gz IGDPKRJAYMRESA-QDIASNEPSA-N 1 1 272.392 2.958 50 0 CFAAMO Cc1ccccc1CC[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000072174146 176333550 /nfs/dbraw/zinc/33/35/50/176333550.db2.gz YNKDPVZXAKANAB-QGZVFWFLSA-N 1 1 291.435 2.649 50 0 CFAAMO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000072282336 176359275 /nfs/dbraw/zinc/35/92/75/176359275.db2.gz SHDORJQGHAIKIL-GFCCVEGCSA-N 1 1 274.368 2.901 50 0 CFAAMO CC(C)c1cnc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000072282336 176359277 /nfs/dbraw/zinc/35/92/77/176359277.db2.gz SHDORJQGHAIKIL-GFCCVEGCSA-N 1 1 274.368 2.901 50 0 CFAAMO Nc1ccnc(N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072434889 176403416 /nfs/dbraw/zinc/40/34/16/176403416.db2.gz FJBMCAPAETYHKC-CQSZACIVSA-N 1 1 289.427 2.515 50 0 CFAAMO CCCOc1cccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016488548 260099229 /nfs/dbraw/zinc/09/92/29/260099229.db2.gz FXFXRIWWKCDPEW-GASCZTMLSA-N 1 1 293.407 2.963 50 0 CFAAMO CCCOc1cccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016488548 260099230 /nfs/dbraw/zinc/09/92/30/260099230.db2.gz FXFXRIWWKCDPEW-GASCZTMLSA-N 1 1 293.407 2.963 50 0 CFAAMO CS[C@H]1CCC[C@H]1[N@@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000076146645 274184630 /nfs/dbraw/zinc/18/46/30/274184630.db2.gz XKCGMGUBELMIQY-NEPJUHHUSA-N 1 1 297.424 2.528 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000252012397 274205511 /nfs/dbraw/zinc/20/55/11/274205511.db2.gz SWXQSJBSIVRICS-GUYCJALGSA-N 1 1 286.419 2.911 50 0 CFAAMO C[C@@H]([NH2+]Cc1cccnc1)c1nc2ccccc2n1C ZINC000097971390 274252658 /nfs/dbraw/zinc/25/26/58/274252658.db2.gz HMGOZOWRGGZWKC-GFCCVEGCSA-N 1 1 266.348 2.819 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C ZINC000264615887 276185916 /nfs/dbraw/zinc/18/59/16/276185916.db2.gz GVXILKKSRRXXBQ-AWEZNQCLSA-N 1 1 275.396 2.909 50 0 CFAAMO CCOc1cc2c(cc1[C@H]1[NH2+]CCc3nc[nH]c31)CCC2 ZINC000065374794 276371447 /nfs/dbraw/zinc/37/14/47/276371447.db2.gz DGACUIZBQNYEDR-MRXNPFEDSA-N 1 1 283.375 2.532 50 0 CFAAMO CC(C)=CCC[C@H](C)C[N@@H+]1CCc2nncn2CC1 ZINC000011870994 277324070 /nfs/dbraw/zinc/32/40/70/277324070.db2.gz KLIMHZJCOYNFPG-AWEZNQCLSA-N 1 1 262.401 2.519 50 0 CFAAMO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC(C)(C)C ZINC000016420673 278112321 /nfs/dbraw/zinc/11/23/21/278112321.db2.gz BJNQXADNZCUHJO-SNVBAGLBSA-N 1 1 266.410 2.582 50 0 CFAAMO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000016420673 278112323 /nfs/dbraw/zinc/11/23/23/278112323.db2.gz BJNQXADNZCUHJO-SNVBAGLBSA-N 1 1 266.410 2.582 50 0 CFAAMO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000004192320 278248837 /nfs/dbraw/zinc/24/88/37/278248837.db2.gz AXQKWRMPCYVYQL-CJNGLKHVSA-N 1 1 291.391 2.503 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000230229544 279241792 /nfs/dbraw/zinc/24/17/92/279241792.db2.gz ZJXQGAXXZOVGMP-VNQPRFMTSA-N 1 1 278.440 2.898 50 0 CFAAMO Cc1cccc(N2CCCN(c3ccccn3)CC2)[nH+]1 ZINC000158504351 281225825 /nfs/dbraw/zinc/22/58/25/281225825.db2.gz KAKLMVYJOWUCQX-UHFFFAOYSA-N 1 1 268.364 2.502 50 0 CFAAMO Cc1nc(N[C@H]2COc3ccccc32)c(C)c(C)[nH+]1 ZINC000091586699 281867868 /nfs/dbraw/zinc/86/78/68/281867868.db2.gz BUZDSCHEFKYXFM-ZDUSSCGKSA-N 1 1 255.321 2.947 50 0 CFAAMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229226146 289336723 /nfs/dbraw/zinc/33/67/23/289336723.db2.gz ICTIAHMQDNNUBO-NXEZZACHSA-N 1 1 280.334 2.564 50 0 CFAAMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229226146 289336724 /nfs/dbraw/zinc/33/67/24/289336724.db2.gz ICTIAHMQDNNUBO-NXEZZACHSA-N 1 1 280.334 2.564 50 0 CFAAMO FC(F)C(F)(F)COCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000188781328 303121551 /nfs/dbraw/zinc/12/15/51/303121551.db2.gz BHLDTCQWVUTMIX-MNOVXSKESA-N 1 1 299.308 2.547 50 0 CFAAMO FC(F)C(F)(F)COCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000188781328 303121554 /nfs/dbraw/zinc/12/15/54/303121554.db2.gz BHLDTCQWVUTMIX-MNOVXSKESA-N 1 1 299.308 2.547 50 0 CFAAMO COCCOc1ccc(-c2cc(C)c[nH+]c2N)cc1 ZINC000534635529 328333369 /nfs/dbraw/zinc/33/33/69/328333369.db2.gz KECLDNREOMVMRT-UHFFFAOYSA-N 1 1 258.321 2.664 50 0 CFAAMO CCOc1ccnc(NC[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000534655194 328339359 /nfs/dbraw/zinc/33/93/59/328339359.db2.gz FBKCSNDFRPJORK-ZDUSSCGKSA-N 1 1 290.411 2.552 50 0 CFAAMO CCOC(C)(C)C(=O)NC[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000534669042 328346480 /nfs/dbraw/zinc/34/64/80/328346480.db2.gz SKGOZTULYLKGPI-CQSZACIVSA-N 1 1 296.455 2.572 50 0 CFAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000195573493 324109321 /nfs/dbraw/zinc/10/93/21/324109321.db2.gz QUTHFQTYLLSWOJ-KRWDZBQOSA-N 1 1 298.390 2.506 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000060131683 327018531 /nfs/dbraw/zinc/01/85/31/327018531.db2.gz IKGREBAJZFBXNC-CYBMUJFWSA-N 1 1 277.364 2.916 50 0 CFAAMO CCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000069321921 519852000 /nfs/dbraw/zinc/85/20/00/519852000.db2.gz WHLPZHWHHQMTCS-CYBMUJFWSA-N 1 1 262.401 2.594 50 0 CFAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338625660 519438835 /nfs/dbraw/zinc/43/88/35/519438835.db2.gz JHUWDHNJNAPYEH-INIZCTEOSA-N 1 1 265.372 2.791 50 0 CFAAMO CC[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccccc1 ZINC000340681114 523264620 /nfs/dbraw/zinc/26/46/20/523264620.db2.gz PJTZRRUWHOKYLJ-OAHLLOKOSA-N 1 1 260.381 2.519 50 0 CFAAMO COc1ccccc1/C=C/C[N@H+]1CCCC[C@H]1CO ZINC000016663075 524315497 /nfs/dbraw/zinc/31/54/97/524315497.db2.gz PWTNKKDAYSEBFQ-VFADXPBXSA-N 1 1 261.365 2.555 50 0 CFAAMO c1ccc(C[N@H+]2CC[C@H](Nc3ccccn3)C2)cc1 ZINC000067948701 526470114 /nfs/dbraw/zinc/47/01/14/526470114.db2.gz LGCIACACYCTERW-HNNXBMFYSA-N 1 1 253.349 2.768 50 0 CFAAMO c1cn2c([nH+]1)C[C@H](c1nc(-c3ccsc3)no1)CC2 ZINC000193150465 526538975 /nfs/dbraw/zinc/53/89/75/526538975.db2.gz FDTGWQHRLPKLAX-SECBINFHSA-N 1 1 272.333 2.725 50 0 CFAAMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)CC1CC1 ZINC000124905373 528771341 /nfs/dbraw/zinc/77/13/41/528771341.db2.gz HZKVIAKUQJRQAZ-UHFFFAOYSA-N 1 1 260.381 2.620 50 0 CFAAMO C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000240744090 536420877 /nfs/dbraw/zinc/42/08/77/536420877.db2.gz HULHJXZUEGRJGY-QWHCGFSZSA-N 1 1 271.813 2.811 50 0 CFAAMO CCCCc1nc(CN(C)C[C@]2(C)CC[N@@H+](C)C2)c[nH]1 ZINC000952981728 614491245 /nfs/dbraw/zinc/49/12/45/614491245.db2.gz JXPNRIBMVTYTAA-MRXNPFEDSA-N 1 1 278.444 2.526 50 0 CFAAMO CCCCc1ncc(CN(C)C[C@]2(C)CC[N@H+](C)C2)[nH]1 ZINC000952981728 614491247 /nfs/dbraw/zinc/49/12/47/614491247.db2.gz JXPNRIBMVTYTAA-MRXNPFEDSA-N 1 1 278.444 2.526 50 0 CFAAMO CCCCc1ncc(CN(C)C[C@]2(C)CC[N@@H+](C)C2)[nH]1 ZINC000952981728 614491249 /nfs/dbraw/zinc/49/12/49/614491249.db2.gz JXPNRIBMVTYTAA-MRXNPFEDSA-N 1 1 278.444 2.526 50 0 CFAAMO CC[C@H](C(=O)NCc1ccc(C)cc1C)[N@@H+](C)CC ZINC000952964188 615607232 /nfs/dbraw/zinc/60/72/32/615607232.db2.gz MZHNGNHFPPRGCH-OAHLLOKOSA-N 1 1 262.397 2.650 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000952979486 615777504 /nfs/dbraw/zinc/77/75/04/615777504.db2.gz QCDBOFHMLBMDRF-LBPRGKRZSA-N 1 1 299.374 2.798 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H](C)C1 ZINC000023283251 617841594 /nfs/dbraw/zinc/84/15/94/617841594.db2.gz XGSFSMOKZNRERD-MCIONIFRSA-N 1 1 253.386 2.983 50 0 CFAAMO CC(C)C(=O)N1CC[N@@H+](C2CC2)C[C@H]1c1ccccc1 ZINC000090687699 618148757 /nfs/dbraw/zinc/14/87/57/618148757.db2.gz FPZYMZBAUOUKHS-INIZCTEOSA-N 1 1 272.392 2.690 50 0 CFAAMO CC(C)C(=O)N1CC[N@H+](C2CC2)C[C@H]1c1ccccc1 ZINC000090687699 618148758 /nfs/dbraw/zinc/14/87/58/618148758.db2.gz FPZYMZBAUOUKHS-INIZCTEOSA-N 1 1 272.392 2.690 50 0 CFAAMO CCn1cc[nH+]c1[C@H]1CCCN(c2nccs2)C1 ZINC000092098166 618606547 /nfs/dbraw/zinc/60/65/47/618606547.db2.gz NAWGJBWVAKFXAW-NSHDSACASA-N 1 1 262.382 2.744 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000229475782 623208198 /nfs/dbraw/zinc/20/81/98/623208198.db2.gz VZOFCGUVUCUHGV-HZPDHXFCSA-N 1 1 278.440 2.923 50 0 CFAAMO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000012300025 626278951 /nfs/dbraw/zinc/27/89/51/626278951.db2.gz FXPUXOKQFBNBQX-SFHVURJKSA-N 1 1 299.418 2.617 50 0 CFAAMO OC[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000012300025 626278953 /nfs/dbraw/zinc/27/89/53/626278953.db2.gz FXPUXOKQFBNBQX-SFHVURJKSA-N 1 1 299.418 2.617 50 0 CFAAMO O[C@H]1CCC[N@@H+](CCc2c[nH]c3ccccc23)CC1 ZINC000670449182 626408115 /nfs/dbraw/zinc/40/81/15/626408115.db2.gz WTEXVLBGGIXVES-AWEZNQCLSA-N 1 1 258.365 2.557 50 0 CFAAMO CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000049041944 650286430 /nfs/dbraw/zinc/28/64/30/650286430.db2.gz DZPPVFHJWGEGGB-NSHDSACASA-N 1 1 295.452 2.655 50 0 CFAAMO Cc1cccc2c(NCC[N@@H+]3CCCOCC3)ccnc12 ZINC000188490413 650333914 /nfs/dbraw/zinc/33/39/14/650333914.db2.gz BUYUPYTZGSKBPH-UHFFFAOYSA-N 1 1 285.391 2.677 50 0 CFAAMO Cc1cccc2c(NCC[N@H+]3CCCOCC3)ccnc12 ZINC000188490413 650333918 /nfs/dbraw/zinc/33/39/18/650333918.db2.gz BUYUPYTZGSKBPH-UHFFFAOYSA-N 1 1 285.391 2.677 50 0 CFAAMO Cc1cc(C)n(C[C@H](C)[N@@H+](C)CCc2scnc2C)n1 ZINC000952983850 650791920 /nfs/dbraw/zinc/79/19/20/650791920.db2.gz YDHFWALSZPWODC-ZDUSSCGKSA-N 1 1 292.452 2.828 50 0 CFAAMO OC[C@H]1CCC[N@@H+](CCCNc2nccc3ccccc32)C1 ZINC000952968576 650790059 /nfs/dbraw/zinc/79/00/59/650790059.db2.gz MKFUWIKLVIHJIS-HNNXBMFYSA-N 1 1 299.418 2.741 50 0 CFAAMO CN1CCC([N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000000200283 651100297 /nfs/dbraw/zinc/10/02/97/651100297.db2.gz ICOLCTVQARDCSH-UHFFFAOYSA-N 1 1 287.201 2.568 50 0 CFAAMO CN1CCC([N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC000000200283 651100299 /nfs/dbraw/zinc/10/02/99/651100299.db2.gz ICOLCTVQARDCSH-UHFFFAOYSA-N 1 1 287.201 2.568 50 0 CFAAMO Cc1cc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)[nH]n1 ZINC000019145607 651287982 /nfs/dbraw/zinc/28/79/82/651287982.db2.gz GDXSPODQSWYXIF-UHFFFAOYSA-N 1 1 254.337 2.831 50 0 CFAAMO Cc1cc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)[nH]n1 ZINC000019145607 651287984 /nfs/dbraw/zinc/28/79/84/651287984.db2.gz GDXSPODQSWYXIF-UHFFFAOYSA-N 1 1 254.337 2.831 50 0 CFAAMO Cc1ccc(C[N@@H+](C)CCc2nc3ccccc3[nH]2)cn1 ZINC000020452276 651299169 /nfs/dbraw/zinc/29/91/69/651299169.db2.gz GMRCTWWTRQGBRP-UHFFFAOYSA-N 1 1 280.375 2.941 50 0 CFAAMO Cc1nc(CO[C@H]2CCC[N@@H+](CC3CCCCC3)C2)no1 ZINC000675016128 775983400 /nfs/dbraw/zinc/98/34/00/775983400.db2.gz GUHHWAVMRVGHAA-HNNXBMFYSA-N 1 1 293.411 2.939 50 0 CFAAMO CC(C)c1nnc2n1CC[N@@H+](C/C=C/c1ccco1)CC2 ZINC000059322779 780058484 /nfs/dbraw/zinc/05/84/84/780058484.db2.gz FDZLERSUDNWEFB-HWKANZROSA-N 1 1 286.379 2.566 50 0 CFAAMO CC(C)c1nnc2n1CC[N@H+](C/C=C/c1ccco1)CC2 ZINC000059322779 780058485 /nfs/dbraw/zinc/05/84/85/780058485.db2.gz FDZLERSUDNWEFB-HWKANZROSA-N 1 1 286.379 2.566 50 0 CFAAMO CC(C)N1CCC[N@@H+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC000821751134 781885545 /nfs/dbraw/zinc/88/55/45/781885545.db2.gz HXVGXMLUKTZDDS-HNNXBMFYSA-N 1 1 268.445 2.608 50 0 CFAAMO OCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000096455346 230377169 /nfs/dbraw/zinc/37/71/69/230377169.db2.gz KRGAGBKKZWJCRQ-QGZVFWFLSA-N 1 1 268.360 2.563 50 0 CFAAMO C[NH+](C)[C@@H]1CCCN(Cc2cc(C(C)(C)C)[nH]n2)CC1 ZINC000097831095 230387881 /nfs/dbraw/zinc/38/78/81/230387881.db2.gz HGKKLKALTUHFHG-CQSZACIVSA-N 1 1 278.444 2.623 50 0 CFAAMO Cc1nn(C)c2nc(NCC[C@@H]3CCCC[N@H+]3C)sc12 ZINC000095501071 185000055 /nfs/dbraw/zinc/00/00/55/185000055.db2.gz GHJQTAMNOKJFCJ-NSHDSACASA-N 1 1 293.440 2.625 50 0 CFAAMO COC(=O)[C@@](C)([NH3+])C(c1ccccc1)c1ccccc1 ZINC000095914973 185031140 /nfs/dbraw/zinc/03/11/40/185031140.db2.gz HPBPTLCJOFTQLD-KRWDZBQOSA-N 1 1 269.344 2.709 50 0 CFAAMO Cc1cc(C)n(C[C@@H](C)C[NH2+]C2CCN(C(C)C)CC2)n1 ZINC000095967322 185046663 /nfs/dbraw/zinc/04/66/63/185046663.db2.gz SLWYTSDRRCVAAS-AWEZNQCLSA-N 1 1 292.471 2.598 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000095974639 185050217 /nfs/dbraw/zinc/05/02/17/185050217.db2.gz UAPKWAUTWOAWMD-LBPRGKRZSA-N 1 1 284.281 2.814 50 0 CFAAMO C[N@@H+](CCCn1ccnc1)Cc1ccc(F)cc1F ZINC000095984089 185055099 /nfs/dbraw/zinc/05/50/99/185055099.db2.gz KEIVAAMBNCCVEC-UHFFFAOYSA-N 1 1 265.307 2.683 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000095986722 185056006 /nfs/dbraw/zinc/05/60/06/185056006.db2.gz HIMHGVPDXZUKFT-ZDUSSCGKSA-N 1 1 279.428 2.576 50 0 CFAAMO COCCCN1CCC([NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000097020449 185152756 /nfs/dbraw/zinc/15/27/56/185152756.db2.gz HLGONIWBYQGTHY-GJZGRUSLSA-N 1 1 282.472 2.902 50 0 CFAAMO CCc1cc(CN[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH]n1 ZINC000075093203 347054162 /nfs/dbraw/zinc/05/41/62/347054162.db2.gz MUXRBSDRRBQCPV-YOEHRIQHSA-N 1 1 298.434 2.897 50 0 CFAAMO CCc1cc(CN[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH]n1 ZINC000075093203 347054166 /nfs/dbraw/zinc/05/41/66/347054166.db2.gz MUXRBSDRRBQCPV-YOEHRIQHSA-N 1 1 298.434 2.897 50 0 CFAAMO CC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CCC[C@@H]21 ZINC000075566910 347085532 /nfs/dbraw/zinc/08/55/32/347085532.db2.gz GHVDXGOQIROAKN-CABCVRRESA-N 1 1 258.365 2.539 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCc2ccncc2)n1 ZINC000075605699 347086515 /nfs/dbraw/zinc/08/65/15/347086515.db2.gz GHTYKLIINOJHOR-GOSISDBHSA-N 1 1 298.434 2.992 50 0 CFAAMO Cc1nc[nH]c1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000023281226 346252130 /nfs/dbraw/zinc/25/21/30/346252130.db2.gz XFJQUIGSMCTGMS-UHFFFAOYSA-N 1 1 284.407 2.657 50 0 CFAAMO Cc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000128405948 187368431 /nfs/dbraw/zinc/36/84/31/187368431.db2.gz AHQIDETWPJPZQR-GFCCVEGCSA-N 1 1 261.394 2.780 50 0 CFAAMO O=C(C[N@@H+]1CC[C@@H]2C=CC=C[C@@H]2C1)c1ccccc1O ZINC000048582451 346475713 /nfs/dbraw/zinc/47/57/13/346475713.db2.gz YAGRCKDQFZYECD-UONOGXRCSA-N 1 1 269.344 2.639 50 0 CFAAMO O=C(C[N@H+]1CC[C@@H]2C=CC=C[C@@H]2C1)c1ccccc1O ZINC000048582451 346475716 /nfs/dbraw/zinc/47/57/16/346475716.db2.gz YAGRCKDQFZYECD-UONOGXRCSA-N 1 1 269.344 2.639 50 0 CFAAMO C[C@@H]1C[N@H+](CC(=O)c2ccccc2O)C[C@H]2C=CC=C[C@H]12 ZINC000048582440 346475799 /nfs/dbraw/zinc/47/57/99/346475799.db2.gz GAEFYVMKRUECDH-RBSFLKMASA-N 1 1 283.371 2.885 50 0 CFAAMO C[C@@H]1C[N@@H+](CC(=O)c2ccccc2O)C[C@H]2C=CC=C[C@H]12 ZINC000048582440 346475803 /nfs/dbraw/zinc/47/58/03/346475803.db2.gz GAEFYVMKRUECDH-RBSFLKMASA-N 1 1 283.371 2.885 50 0 CFAAMO O[C@H](Cn1cccn1)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000061040252 346674931 /nfs/dbraw/zinc/67/49/31/346674931.db2.gz BPZXEFRJVIZNSD-IRXDYDNUSA-N 1 1 291.439 2.679 50 0 CFAAMO Fc1ccc([C@@H]2CCC[N@H+]2CCn2cccn2)cc1 ZINC000064140235 346715738 /nfs/dbraw/zinc/71/57/38/346715738.db2.gz SLHQVUHPIJMPSN-HNNXBMFYSA-N 1 1 259.328 2.859 50 0 CFAAMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CC ZINC000078467463 347255555 /nfs/dbraw/zinc/25/55/55/347255555.db2.gz SSUNIEBHQGPUCV-GJZGRUSLSA-N 1 1 261.365 2.708 50 0 CFAAMO CC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccs1 ZINC000097373817 347709396 /nfs/dbraw/zinc/70/93/96/347709396.db2.gz SVKSNDDPDPNBJW-LLVKDONJSA-N 1 1 276.409 2.995 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000097377032 347709572 /nfs/dbraw/zinc/70/95/72/347709572.db2.gz VHTDSKVIFCLAIN-CYBMUJFWSA-N 1 1 290.436 2.640 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)C[N@H+](C)C[C@H]1CC ZINC000102190434 347716845 /nfs/dbraw/zinc/71/68/45/347716845.db2.gz VFVRCUAINDTTOF-CJNGLKHVSA-N 1 1 261.365 2.807 50 0 CFAAMO Cc1nnc(CCC[N@H+](C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000120010215 347805395 /nfs/dbraw/zinc/80/53/95/347805395.db2.gz QCUFXDALUKBVLR-WCQYABFASA-N 1 1 251.374 2.821 50 0 CFAAMO C[N@H+](CCc1nccs1)Cc1noc2c1CCCC2 ZINC000157809438 348002494 /nfs/dbraw/zinc/00/24/94/348002494.db2.gz ANWBIJBXDVOSLF-UHFFFAOYSA-N 1 1 277.393 2.684 50 0 CFAAMO C[N@@H+](CCc1nccs1)Cc1noc2c1CCCC2 ZINC000157809438 348002499 /nfs/dbraw/zinc/00/24/99/348002499.db2.gz ANWBIJBXDVOSLF-UHFFFAOYSA-N 1 1 277.393 2.684 50 0 CFAAMO CC[C@@H](C)[N@H+](Cc1cccn1C)C[C@@H](O)COC(C)(C)C ZINC000169677300 348051649 /nfs/dbraw/zinc/05/16/49/348051649.db2.gz VUTLPXRKTSBDFA-GDBMZVCRSA-N 1 1 296.455 2.802 50 0 CFAAMO C[C@H](C[N@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc(F)cc1 ZINC000230469743 348206055 /nfs/dbraw/zinc/20/60/55/348206055.db2.gz HOTWVCPWLUFHAV-ZIAGYGMSSA-N 1 1 292.398 2.907 50 0 CFAAMO Cn1cnc(C[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000725263712 539620684 /nfs/dbraw/zinc/62/06/84/539620684.db2.gz CCMKEVGKOGJPFJ-UHFFFAOYSA-N 1 1 298.159 2.612 50 0 CFAAMO Cc1cnc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)o1 ZINC000390834000 348544118 /nfs/dbraw/zinc/54/41/18/348544118.db2.gz QFJFHTKIFBLDJZ-LBPRGKRZSA-N 1 1 271.320 2.584 50 0 CFAAMO CCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCC2)[nH]1 ZINC000584898367 348731505 /nfs/dbraw/zinc/73/15/05/348731505.db2.gz YUALPOSHPLPDTB-UHFFFAOYSA-N 1 1 277.412 2.524 50 0 CFAAMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000090546981 180000803 /nfs/dbraw/zinc/00/08/03/180000803.db2.gz OFAGSNSEOLGYMA-MRXNPFEDSA-N 1 1 299.422 2.899 50 0 CFAAMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000090546982 180001175 /nfs/dbraw/zinc/00/11/75/180001175.db2.gz OFAGSNSEOLGYMA-INIZCTEOSA-N 1 1 299.422 2.899 50 0 CFAAMO Cc1cccc(C[N@H+]2CC[C@@](O)(C3CCC3)[C@H](C)C2)n1 ZINC000091270199 180118127 /nfs/dbraw/zinc/11/81/27/180118127.db2.gz MYEWLLMKEPYSMG-DYVFJYSZSA-N 1 1 274.408 2.763 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)C2CCS(=O)(=O)CC2)c(C)c1 ZINC000079470379 539769162 /nfs/dbraw/zinc/76/91/62/539769162.db2.gz FRMPFYSGTDULLR-UHFFFAOYSA-N 1 1 295.448 2.621 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@](CO)(CCOC)C2)cc1 ZINC000091427152 180151746 /nfs/dbraw/zinc/15/17/46/180151746.db2.gz DTRLKYGSNIYNAB-SFHVURJKSA-N 1 1 291.435 2.860 50 0 CFAAMO Cc1ccc(C2(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4C)C3)CC2)cc1 ZINC000091526719 180178629 /nfs/dbraw/zinc/17/86/29/180178629.db2.gz KVGQWMRKIREOJZ-NVXWUHKLSA-N 1 1 298.430 2.579 50 0 CFAAMO COc1ccc(C(=O)C(C)(C)[NH+]2CCCC2)cc1OC ZINC000091532723 180181453 /nfs/dbraw/zinc/18/14/53/180181453.db2.gz FUJBZTOFVJBVMM-UHFFFAOYSA-N 1 1 277.364 2.761 50 0 CFAAMO CCc1c[nH+]c(N)nc1N[C@@H](C)c1csc(C)n1 ZINC000091536674 180182366 /nfs/dbraw/zinc/18/23/66/180182366.db2.gz VIHDYUMBAKOPJU-ZETCQYMHSA-N 1 1 263.370 2.559 50 0 CFAAMO Cc1nonc1C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000091535649 180182459 /nfs/dbraw/zinc/18/24/59/180182459.db2.gz MAWLRMIBWHQHOC-INIZCTEOSA-N 1 1 271.364 2.932 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@@H](CNc3ccncn3)C2)cc1 ZINC000091680116 180226690 /nfs/dbraw/zinc/22/66/90/180226690.db2.gz SJEXHLOBZMBODV-INIZCTEOSA-N 1 1 282.391 2.801 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000091792919 180256991 /nfs/dbraw/zinc/25/69/91/180256991.db2.gz RIEBMFMXEAFHJF-LLVKDONJSA-N 1 1 286.828 2.892 50 0 CFAAMO Cc1ncnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000091876473 180278717 /nfs/dbraw/zinc/27/87/17/180278717.db2.gz XQIVOPJSQAKASV-INIZCTEOSA-N 1 1 282.391 2.780 50 0 CFAAMO COc1cc(C)ccc1C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000092045734 180311074 /nfs/dbraw/zinc/31/10/74/180311074.db2.gz WHYYOKHDCGDUJX-CJNGLKHVSA-N 1 1 263.381 2.596 50 0 CFAAMO CCc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)o1 ZINC000091985945 180298587 /nfs/dbraw/zinc/29/85/87/180298587.db2.gz VNTVSHGPICATME-WBMJQRKESA-N 1 1 263.381 2.825 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC000092101343 180325520 /nfs/dbraw/zinc/32/55/20/180325520.db2.gz QZFOVHCQDHCICM-KRWDZBQOSA-N 1 1 274.408 2.604 50 0 CFAAMO Cc1noc2ncnc(NCCCNc3ccc(C)c[nH+]3)c12 ZINC000092077598 180318991 /nfs/dbraw/zinc/31/89/91/180318991.db2.gz ZQTFEHIFKTZSNI-UHFFFAOYSA-N 1 1 298.350 2.544 50 0 CFAAMO Cc1csc(N2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000106786560 186134958 /nfs/dbraw/zinc/13/49/58/186134958.db2.gz PBTMFPLVVFLVJN-CYBMUJFWSA-N 1 1 288.420 2.557 50 0 CFAAMO Cc1csc(N2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000106786560 186134959 /nfs/dbraw/zinc/13/49/59/186134959.db2.gz PBTMFPLVVFLVJN-CYBMUJFWSA-N 1 1 288.420 2.557 50 0 CFAAMO Cc1c2ccccc2oc1C[N@H+](C)[C@@H]1CCN(C)C1 ZINC000223380327 539992884 /nfs/dbraw/zinc/99/28/84/539992884.db2.gz ORFRXHQPLGSOSZ-CYBMUJFWSA-N 1 1 258.365 2.877 50 0 CFAAMO Cc1c2ccccc2oc1CN(C)[C@@H]1CC[N@H+](C)C1 ZINC000223380327 539992886 /nfs/dbraw/zinc/99/28/86/539992886.db2.gz ORFRXHQPLGSOSZ-CYBMUJFWSA-N 1 1 258.365 2.877 50 0 CFAAMO Cc1c2ccccc2oc1CN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000223380327 539992890 /nfs/dbraw/zinc/99/28/90/539992890.db2.gz ORFRXHQPLGSOSZ-CYBMUJFWSA-N 1 1 258.365 2.877 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000239619507 540042027 /nfs/dbraw/zinc/04/20/27/540042027.db2.gz BFCGLXHHVJDPIV-STQMWFEESA-N 1 1 294.468 2.893 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000239619507 540042031 /nfs/dbraw/zinc/04/20/31/540042031.db2.gz BFCGLXHHVJDPIV-STQMWFEESA-N 1 1 294.468 2.893 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](C)Cc1ccsc1 ZINC000823557299 781933760 /nfs/dbraw/zinc/93/37/60/781933760.db2.gz KZDGRIGCQAYKNT-LBPRGKRZSA-N 1 1 291.420 2.645 50 0 CFAAMO C[N@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000066653127 283115262 /nfs/dbraw/zinc/11/52/62/283115262.db2.gz UFZYQLWOSVSQCD-GFCCVEGCSA-N 1 1 292.448 2.699 50 0 CFAAMO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cnc[nH]1 ZINC000084325707 540198385 /nfs/dbraw/zinc/19/83/85/540198385.db2.gz KPAJAPGASUSSAO-CYBMUJFWSA-N 1 1 273.384 2.528 50 0 CFAAMO CCCN1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422840 283321571 /nfs/dbraw/zinc/32/15/71/283321571.db2.gz GMUOHQKORQYQND-AWEZNQCLSA-N 1 1 268.445 2.797 50 0 CFAAMO Cc1noc([C@@H]([NH2+][C@@H](C)Cn2cnc(C)c2C)C(C)C)n1 ZINC000091724506 540398608 /nfs/dbraw/zinc/39/86/08/540398608.db2.gz AJYJZSLADURHGA-HZMBPMFUSA-N 1 1 291.399 2.567 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)Cc2cc[nH]n2)c(-n2cccn2)c1 ZINC000823701060 781935651 /nfs/dbraw/zinc/93/56/51/781935651.db2.gz CGEUHAXOEPXPLO-UHFFFAOYSA-N 1 1 295.390 2.844 50 0 CFAAMO Cc1cc(C)c(C[N@@H+](C)Cc2cc[nH]n2)c(-n2cccn2)c1 ZINC000823701060 781935658 /nfs/dbraw/zinc/93/56/58/781935658.db2.gz CGEUHAXOEPXPLO-UHFFFAOYSA-N 1 1 295.390 2.844 50 0 CFAAMO C[N@@H+](CCCC1CCCC1)CC[C@@H]1CCS(=O)(=O)C1 ZINC000823693043 781936328 /nfs/dbraw/zinc/93/63/28/781936328.db2.gz HFMWSQSTVHMTPT-OAHLLOKOSA-N 1 1 287.469 2.713 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)CC2(C)COC2)c(-n2cccn2)c1 ZINC000823683719 781936381 /nfs/dbraw/zinc/93/63/81/781936381.db2.gz BCQNTPDQLGTMGZ-UHFFFAOYSA-N 1 1 299.418 2.957 50 0 CFAAMO COCc1ccc(C[N@H+]2CCC[C@H](c3cn[nH]c3)C2)cc1 ZINC000092809712 540412040 /nfs/dbraw/zinc/41/20/40/540412040.db2.gz JSMJQTJWECPSLF-INIZCTEOSA-N 1 1 285.391 2.936 50 0 CFAAMO CC1(C)CN(c2cc[nH+]c3ccsc32)CC[S@]1=O ZINC000088757032 540715309 /nfs/dbraw/zinc/71/53/09/540715309.db2.gz MNHISQYRQDLKOS-SFHVURJKSA-N 1 1 280.418 2.644 50 0 CFAAMO Cc1ccc([C@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)c(C)c1 ZINC000095404892 540725046 /nfs/dbraw/zinc/72/50/46/540725046.db2.gz UGJUIYIUYQFXCM-DOTOQJQBSA-N 1 1 275.392 2.856 50 0 CFAAMO Cc1ccc([C@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)c(C)c1 ZINC000095404892 540725048 /nfs/dbraw/zinc/72/50/48/540725048.db2.gz UGJUIYIUYQFXCM-DOTOQJQBSA-N 1 1 275.392 2.856 50 0 CFAAMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccccc1 ZINC000089745437 540719349 /nfs/dbraw/zinc/71/93/49/540719349.db2.gz VNOXWLWWCXPODZ-OAHLLOKOSA-N 1 1 255.365 2.930 50 0 CFAAMO CCOCc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000252484065 540745786 /nfs/dbraw/zinc/74/57/86/540745786.db2.gz FNJWJLRCEIWMIQ-SWLSCSKDSA-N 1 1 276.380 2.502 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](CC)[C@H]1C ZINC000261361524 540973670 /nfs/dbraw/zinc/97/36/70/540973670.db2.gz KGSIZJJFTPHZGH-XJKSGUPXSA-N 1 1 261.365 2.949 50 0 CFAAMO C[N@H+](Cc1cc(F)c(F)cc1F)CC1(CO)CCC1 ZINC000670438894 540995418 /nfs/dbraw/zinc/99/54/18/540995418.db2.gz ZPQSUUKFYVOTBJ-UHFFFAOYSA-N 1 1 273.298 2.698 50 0 CFAAMO C[N@@H+](Cc1cc(F)c(F)cc1F)CC1(CO)CCC1 ZINC000670438894 540995420 /nfs/dbraw/zinc/99/54/20/540995420.db2.gz ZPQSUUKFYVOTBJ-UHFFFAOYSA-N 1 1 273.298 2.698 50 0 CFAAMO C[N@@H+](C[C@@H]1CCCO1)C1CCN(c2ccccc2F)CC1 ZINC000670450058 540998750 /nfs/dbraw/zinc/99/87/50/540998750.db2.gz VUORPWZGTCPGSU-HNNXBMFYSA-N 1 1 292.398 2.905 50 0 CFAAMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670450518 540998947 /nfs/dbraw/zinc/99/89/47/540998947.db2.gz LJORNOOYGCXQPU-CYBMUJFWSA-N 1 1 258.365 2.761 50 0 CFAAMO C[N@H+](Cc1cccc(O)c1Cl)CC1(CO)CCC1 ZINC000670451727 540999379 /nfs/dbraw/zinc/99/93/79/540999379.db2.gz PPQKNVVGMGAIBS-UHFFFAOYSA-N 1 1 269.772 2.640 50 0 CFAAMO C[N@@H+](Cc1cccc(O)c1Cl)CC1(CO)CCC1 ZINC000670451727 540999380 /nfs/dbraw/zinc/99/93/80/540999380.db2.gz PPQKNVVGMGAIBS-UHFFFAOYSA-N 1 1 269.772 2.640 50 0 CFAAMO C[N@H+](Cc1cnc(-c2cccs2)nc1)C[C@H]1CCOC1 ZINC000670454158 541000341 /nfs/dbraw/zinc/00/03/41/541000341.db2.gz XFMMWGLSOAZRMB-GFCCVEGCSA-N 1 1 289.404 2.673 50 0 CFAAMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000670455133 541001083 /nfs/dbraw/zinc/00/10/83/541001083.db2.gz WOBUUGIYXAIVSM-LBPRGKRZSA-N 1 1 285.334 2.881 50 0 CFAAMO C[N@H+]1CC[C@@](C)(c2ncnn2-c2ccccc2Cl)C1 ZINC000670459143 541002795 /nfs/dbraw/zinc/00/27/95/541002795.db2.gz DLXODVDKSJWPRX-CQSZACIVSA-N 1 1 276.771 2.514 50 0 CFAAMO Cc1cc(C)n(C[C@@H](C)[NH+]2CC(Oc3cccc(C)c3)C2)n1 ZINC000670455707 541001393 /nfs/dbraw/zinc/00/13/93/541001393.db2.gz XQUVMUDCYZOXGI-MRXNPFEDSA-N 1 1 299.418 2.960 50 0 CFAAMO Fc1ccccc1OC[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000670456184 541001489 /nfs/dbraw/zinc/00/14/89/541001489.db2.gz UVGSTTHOHYKQGB-ZDUSSCGKSA-N 1 1 289.354 2.840 50 0 CFAAMO Fc1ccccc1OC[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000670456184 541001491 /nfs/dbraw/zinc/00/14/91/541001491.db2.gz UVGSTTHOHYKQGB-ZDUSSCGKSA-N 1 1 289.354 2.840 50 0 CFAAMO CCCOc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1CO ZINC000670455806 541001506 /nfs/dbraw/zinc/00/15/06/541001506.db2.gz IIWZWUQCMGHALZ-UHFFFAOYSA-N 1 1 293.407 2.579 50 0 CFAAMO CCCOc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1CO ZINC000670455806 541001509 /nfs/dbraw/zinc/00/15/09/541001509.db2.gz IIWZWUQCMGHALZ-UHFFFAOYSA-N 1 1 293.407 2.579 50 0 CFAAMO OCCOc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000670462621 541004528 /nfs/dbraw/zinc/00/45/28/541004528.db2.gz NATOLLFYAJJNMT-UHFFFAOYSA-N 1 1 275.392 2.824 50 0 CFAAMO c1ccc(N2CCC[N@H+]([C@@H]3CCSC3)CC2)cc1 ZINC000670465092 541005853 /nfs/dbraw/zinc/00/58/53/541005853.db2.gz URLNSQBREAGAHF-OAHLLOKOSA-N 1 1 262.422 2.704 50 0 CFAAMO COc1ccc(CC[C@@H](C)[N@@H+](C)CC2(C)COC2)cc1 ZINC000670467522 541006867 /nfs/dbraw/zinc/00/68/67/541006867.db2.gz JMRRKUAWFIZWEP-CQSZACIVSA-N 1 1 277.408 2.985 50 0 CFAAMO CC/C(C)=C/CC[N@H+](C)C[C@H]1CC(=O)N(CC)C1 ZINC000670469959 541008895 /nfs/dbraw/zinc/00/88/95/541008895.db2.gz LMXGTPJBUWNXIN-MAUPQMMJSA-N 1 1 252.402 2.533 50 0 CFAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNc1ncccc1F ZINC000823806273 781937632 /nfs/dbraw/zinc/93/76/32/781937632.db2.gz JIXNJAKAENWAOQ-CQSZACIVSA-N 1 1 271.339 2.689 50 0 CFAAMO Cc1ncc(C(C)C)c(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000823770657 781938176 /nfs/dbraw/zinc/93/81/76/781938176.db2.gz YHWRVALXDUMOJR-CYBMUJFWSA-N 1 1 262.401 2.662 50 0 CFAAMO OC[C@H]1C=C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000183585216 189363008 /nfs/dbraw/zinc/36/30/08/189363008.db2.gz RTTLJPWWXFCXAC-LESCRADOSA-N 1 1 280.371 2.698 50 0 CFAAMO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000076960398 541331762 /nfs/dbraw/zinc/33/17/62/541331762.db2.gz PHNYQWNEOKGUDD-WBAXXEDZSA-N 1 1 298.430 2.699 50 0 CFAAMO C[C@H](N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1cnccn1 ZINC000248645885 299344581 /nfs/dbraw/zinc/34/45/81/299344581.db2.gz RMXAWDIIWJKAFG-GRDNDAEWSA-N 1 1 284.407 2.819 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000000254297 371569819 /nfs/dbraw/zinc/56/98/19/371569819.db2.gz ILDCWTQUCKROQJ-GFCCVEGCSA-N 1 1 264.344 2.886 50 0 CFAAMO Cc1cc(C)n(-c2cc(N3CCCCC3)[nH+]c(C)n2)n1 ZINC000000299953 371581464 /nfs/dbraw/zinc/58/14/64/371581464.db2.gz NBKPGCBMNZLNHC-UHFFFAOYSA-N 1 1 271.368 2.578 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)c2ccc(Cl)cc2)C1 ZINC000000551067 371638685 /nfs/dbraw/zinc/63/86/85/371638685.db2.gz JAKUVHIHTFIPLL-LBPRGKRZSA-N 1 1 253.729 2.591 50 0 CFAAMO NC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000000757456 371648563 /nfs/dbraw/zinc/64/85/63/371648563.db2.gz IIBQNGFKXXOYJB-UHFFFAOYSA-N 1 1 287.190 2.691 50 0 CFAAMO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000001009792 371656171 /nfs/dbraw/zinc/65/61/71/371656171.db2.gz BJXUGKXVPDLLME-ZFWWWQNUSA-N 1 1 286.375 2.501 50 0 CFAAMO CC[N@@H+](CCCCO)[C@@H](C)Cc1ccc(OC)cc1 ZINC000002019203 371713152 /nfs/dbraw/zinc/71/31/52/371713152.db2.gz ZGZAPRVKIAFOPL-AWEZNQCLSA-N 1 1 265.397 2.721 50 0 in-vitro CFAAMO O=C(C[NH+]1CCCCCC1)Nc1ccc(F)c(F)c1F ZINC000002638811 371743168 /nfs/dbraw/zinc/74/31/68/371743168.db2.gz WNROZSOABXSQKV-UHFFFAOYSA-N 1 1 286.297 2.918 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1cccc(OC)c1 ZINC000002760502 371751379 /nfs/dbraw/zinc/75/13/79/371751379.db2.gz DKMATSZDZZFPNC-UHFFFAOYSA-N 1 1 264.369 2.756 50 0 CFAAMO COc1cccc(C(=O)O[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000003901927 371824781 /nfs/dbraw/zinc/82/47/81/371824781.db2.gz GZVRRJMREYBBIV-LALPHHSUSA-N 1 1 277.364 2.581 50 0 CFAAMO C[NH+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004259025 371846174 /nfs/dbraw/zinc/84/61/74/371846174.db2.gz WBAVFTVKIGUYTL-UHFFFAOYSA-N 1 1 280.677 2.859 50 0 CFAAMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000004342758 371850489 /nfs/dbraw/zinc/85/04/89/371850489.db2.gz TVRFABREAYQAQA-HKUYNNGSSA-N 1 1 295.382 2.709 50 0 CFAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCC1 ZINC000011933510 371938873 /nfs/dbraw/zinc/93/88/73/371938873.db2.gz OGIQJVDQYWQNBH-QGZVFWFLSA-N 1 1 286.419 2.610 50 0 CFAAMO CCC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000006721903 371890540 /nfs/dbraw/zinc/89/05/40/371890540.db2.gz YZOFFOOGEUJNQN-HIFRSBDPSA-N 1 1 258.365 2.539 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000007787552 371895848 /nfs/dbraw/zinc/89/58/48/371895848.db2.gz ZQWUDUFRUVSZNK-IILDEKEXSA-N 1 1 290.451 2.803 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000007787546 371895872 /nfs/dbraw/zinc/89/58/72/371895872.db2.gz GTAPDXGMOCUFAX-LBPRGKRZSA-N 1 1 274.364 2.560 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000007787546 371895877 /nfs/dbraw/zinc/89/58/77/371895877.db2.gz GTAPDXGMOCUFAX-LBPRGKRZSA-N 1 1 274.364 2.560 50 0 CFAAMO Cc1cc(C)n(C[N@H+]2CCC[C@@H](C)C2)c(=S)c1C(N)=O ZINC000009366390 371900854 /nfs/dbraw/zinc/90/08/54/371900854.db2.gz VZHMAESRQKDKFG-SNVBAGLBSA-N 1 1 293.436 2.623 50 0 CFAAMO Cc1cc(C)n(C[N@@H+]2CCC[C@@H](C)C2)c(=S)c1C(N)=O ZINC000009366390 371900860 /nfs/dbraw/zinc/90/08/60/371900860.db2.gz VZHMAESRQKDKFG-SNVBAGLBSA-N 1 1 293.436 2.623 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)C1CCCCC1)c1ccco1 ZINC000010328368 371906495 /nfs/dbraw/zinc/90/64/95/371906495.db2.gz GIRAAYICRHIDMI-ZDUSSCGKSA-N 1 1 264.369 2.579 50 0 CFAAMO COCC[N@H+](C)Cc1nc(-c2cccc(F)c2)oc1C ZINC000011844102 371931614 /nfs/dbraw/zinc/93/16/14/371931614.db2.gz JANZTMNZLZYELN-UHFFFAOYSA-N 1 1 278.327 2.867 50 0 CFAAMO COCC[N@@H+](C)Cc1nc(-c2cccc(F)c2)oc1C ZINC000011844102 371931620 /nfs/dbraw/zinc/93/16/20/371931620.db2.gz JANZTMNZLZYELN-UHFFFAOYSA-N 1 1 278.327 2.867 50 0 CFAAMO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012414209 371960274 /nfs/dbraw/zinc/96/02/74/371960274.db2.gz KSIMRCJXVNOUTP-JLSDUUJJSA-N 1 1 289.419 2.611 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000012618429 371978023 /nfs/dbraw/zinc/97/80/23/371978023.db2.gz YTDYZSCOKRCAOU-HZPDHXFCSA-N 1 1 295.398 2.968 50 0 CFAAMO Fc1ccc(N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000013236524 372021697 /nfs/dbraw/zinc/02/16/97/372021697.db2.gz ZKVRYXOPFBIESF-UHFFFAOYSA-N 1 1 271.339 2.543 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C1CCCCC1 ZINC000013323283 372022970 /nfs/dbraw/zinc/02/29/70/372022970.db2.gz BDGVTIWBFATAKP-UHFFFAOYSA-N 1 1 281.787 2.938 50 0 CFAAMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000016423209 372105423 /nfs/dbraw/zinc/10/54/23/372105423.db2.gz JQLUYHCPBFUGGR-AWEZNQCLSA-N 1 1 292.423 2.609 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1F)c1ccco1 ZINC000014245065 372065933 /nfs/dbraw/zinc/06/59/33/372065933.db2.gz CODWLCJGXRCUEA-CYBMUJFWSA-N 1 1 291.326 2.843 50 0 CFAAMO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000015007271 372076940 /nfs/dbraw/zinc/07/69/40/372076940.db2.gz GRCPYWJBEBTIHH-CYBMUJFWSA-N 1 1 277.412 2.892 50 0 CFAAMO Cc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000015831416 372093338 /nfs/dbraw/zinc/09/33/38/372093338.db2.gz DVDVSGRNMCHNBG-CQSZACIVSA-N 1 1 272.348 2.621 50 0 CFAAMO Cc1ccc([C@H](CNC(=O)c2ccc(C)cc2)[NH+](C)C)o1 ZINC000015860087 372094047 /nfs/dbraw/zinc/09/40/47/372094047.db2.gz VFSVIURNZMRCDV-HNNXBMFYSA-N 1 1 286.375 2.929 50 0 CFAAMO CCOc1cccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247438 372102524 /nfs/dbraw/zinc/10/25/24/372102524.db2.gz VTFLDLXTNUOBCF-OKILXGFUSA-N 1 1 279.380 2.573 50 0 CFAAMO CCOc1cccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247438 372102533 /nfs/dbraw/zinc/10/25/33/372102533.db2.gz VTFLDLXTNUOBCF-OKILXGFUSA-N 1 1 279.380 2.573 50 0 CFAAMO COCc1noc(C[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000019228372 372150789 /nfs/dbraw/zinc/15/07/89/372150789.db2.gz DNLFNBPSTUZNTB-UHFFFAOYSA-N 1 1 287.363 2.596 50 0 CFAAMO C[N@H+]1CCCN(Cc2ccc(Br)s2)CC1 ZINC000019537003 372173284 /nfs/dbraw/zinc/17/32/84/372173284.db2.gz FTDILKIUHMBWMA-UHFFFAOYSA-N 1 1 289.242 2.648 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019537045 372174731 /nfs/dbraw/zinc/17/47/31/372174731.db2.gz ULKSOVUNGLZHNE-LLVKDONJSA-N 1 1 253.367 2.523 50 0 CFAAMO CCCCOc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000019594594 372176381 /nfs/dbraw/zinc/17/63/81/372176381.db2.gz DQKXQSGTHWVTAD-UHFFFAOYSA-N 1 1 293.407 2.967 50 0 fda CFAAMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019606676 372176679 /nfs/dbraw/zinc/17/66/79/372176679.db2.gz KUWWVEPGBQPRHH-UHFFFAOYSA-N 1 1 294.398 2.953 50 0 CFAAMO CCN(CC)CC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000019636253 372177849 /nfs/dbraw/zinc/17/78/49/372177849.db2.gz FQAQNGDPCOZTTN-QGZVFWFLSA-N 1 1 260.425 2.818 50 0 CFAAMO CCN(CC)CC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000019636253 372177855 /nfs/dbraw/zinc/17/78/55/372177855.db2.gz FQAQNGDPCOZTTN-QGZVFWFLSA-N 1 1 260.425 2.818 50 0 CFAAMO CC[N@H+](CCN(C)C)Cc1cccc(Br)c1 ZINC000019633151 372178594 /nfs/dbraw/zinc/17/85/94/372178594.db2.gz AEJKWNOKYDISIB-UHFFFAOYSA-N 1 1 285.229 2.833 50 0 CFAAMO CC[N@@H+](CCN(C)C)Cc1cccc(Br)c1 ZINC000019633151 372178599 /nfs/dbraw/zinc/17/85/99/372178599.db2.gz AEJKWNOKYDISIB-UHFFFAOYSA-N 1 1 285.229 2.833 50 0 CFAAMO Clc1ccc(CN2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000019939047 372212219 /nfs/dbraw/zinc/21/22/19/372212219.db2.gz RLGMFPQJQATVAG-UHFFFAOYSA-N 1 1 294.826 2.637 50 0 CFAAMO CN(C)CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000019958132 372213716 /nfs/dbraw/zinc/21/37/16/372213716.db2.gz AHDQRJYIMJSZSF-UHFFFAOYSA-N 1 1 260.303 2.747 50 0 CFAAMO CCOc1ccccc1OCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020118300 372233217 /nfs/dbraw/zinc/23/32/17/372233217.db2.gz LOLAJLMRGHPMMS-KBPBESRZSA-N 1 1 279.380 2.573 50 0 CFAAMO CC(C)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019889669 372204621 /nfs/dbraw/zinc/20/46/21/372204621.db2.gz NARZHCAAZXBIBS-UHFFFAOYSA-N 1 1 257.381 2.694 50 0 CFAAMO COc1ccc(C[N@H+]2CCCN(C)CC2)c2ccccc12 ZINC000022862170 372245815 /nfs/dbraw/zinc/24/58/15/372245815.db2.gz FCGMBXYNCXMLKG-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO COc1ccc(CN2CCC[N@H+](C)CC2)c2ccccc12 ZINC000022862170 372245820 /nfs/dbraw/zinc/24/58/20/372245820.db2.gz FCGMBXYNCXMLKG-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO COc1ccc(CN2CCC[N@@H+](C)CC2)c2ccccc12 ZINC000022862170 372245827 /nfs/dbraw/zinc/24/58/27/372245827.db2.gz FCGMBXYNCXMLKG-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO CCCCc1ncc(CN2CCC[C@H]([NH+]3CCCC3)C2)[nH]1 ZINC000022913853 372247469 /nfs/dbraw/zinc/24/74/69/372247469.db2.gz BPFOODCSZXZQPY-INIZCTEOSA-N 1 1 290.455 2.813 50 0 CFAAMO CCOc1cccc(CNC[C@H]2CCC[N@@H+]2CC)c1 ZINC000022936406 372248896 /nfs/dbraw/zinc/24/88/96/372248896.db2.gz YAMQVRDTOKUMFQ-OAHLLOKOSA-N 1 1 262.397 2.659 50 0 CFAAMO CCOc1cccc(CNC[C@H]2CCC[N@H+]2CC)c1 ZINC000022936406 372248898 /nfs/dbraw/zinc/24/88/98/372248898.db2.gz YAMQVRDTOKUMFQ-OAHLLOKOSA-N 1 1 262.397 2.659 50 0 CFAAMO C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000023280750 372257031 /nfs/dbraw/zinc/25/70/31/372257031.db2.gz DXICTWGMIKTOGT-MRXNPFEDSA-N 1 1 259.324 2.991 50 0 CFAAMO C[C@H](CNC(=O)C[C@H]1C=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025941177 372310734 /nfs/dbraw/zinc/31/07/34/372310734.db2.gz DBAXTLJCTUOZDF-CVEARBPZSA-N 1 1 298.430 2.906 50 0 CFAAMO Cc1ccc2nc(C[N@H+](C)[C@H](C)C(C)(C)C)cc(=O)n2c1 ZINC000027133530 372335034 /nfs/dbraw/zinc/33/50/34/372335034.db2.gz OUROPEJPFKZDNN-CYBMUJFWSA-N 1 1 287.407 2.869 50 0 CFAAMO C[C@H]([N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000027133165 372335243 /nfs/dbraw/zinc/33/52/43/372335243.db2.gz UBNWPGTZXAGMHN-NSHDSACASA-N 1 1 273.380 2.790 50 0 CFAAMO O=C(c1ccc2ccccc2c1)N1CC[NH+](C2CC2)CC1 ZINC000027924535 372353344 /nfs/dbraw/zinc/35/33/44/372353344.db2.gz QQIHDCIYBIBLFS-UHFFFAOYSA-N 1 1 280.371 2.760 50 0 CFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000030363462 372392477 /nfs/dbraw/zinc/39/24/77/372392477.db2.gz VPWASDQJOOLQAA-UHFFFAOYSA-N 1 1 298.361 2.614 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000031655103 372413459 /nfs/dbraw/zinc/41/34/59/372413459.db2.gz MIQXJYPYPDPHCL-LBPRGKRZSA-N 1 1 290.382 2.705 50 0 CFAAMO Cc1cc(N2CCC[C@H]2c2cccnc2)nc(C)[nH+]1 ZINC000032908949 372475422 /nfs/dbraw/zinc/47/54/22/372475422.db2.gz LGCMIZXUZDIDAF-AWEZNQCLSA-N 1 1 254.337 2.830 50 0 CFAAMO CCCN1CCC([N@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032541230 372443366 /nfs/dbraw/zinc/44/33/66/372443366.db2.gz INOMOGODLUVEJE-MRXNPFEDSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCN1CCC([N@@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032541230 372443368 /nfs/dbraw/zinc/44/33/68/372443368.db2.gz INOMOGODLUVEJE-MRXNPFEDSA-N 1 1 268.445 2.752 50 0 CFAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000035051056 372534134 /nfs/dbraw/zinc/53/41/34/372534134.db2.gz TYQYRKDGHAPZRF-INIZCTEOSA-N 1 1 294.354 2.781 50 0 CFAAMO Nc1ccccc1C[N@@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000036231156 372568052 /nfs/dbraw/zinc/56/80/52/372568052.db2.gz ATBXIJRLNBPGIF-HNNXBMFYSA-N 1 1 260.381 2.802 50 0 CFAAMO CCCNC(=S)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000036847584 372602785 /nfs/dbraw/zinc/60/27/85/372602785.db2.gz GMROVGVMSZJPJK-UHFFFAOYSA-N 1 1 293.480 2.901 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000037644250 372681047 /nfs/dbraw/zinc/68/10/47/372681047.db2.gz WTNLQOYWLBWMMW-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000037644250 372681052 /nfs/dbraw/zinc/68/10/52/372681052.db2.gz WTNLQOYWLBWMMW-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CNc1nc(C[N@H+]2CCCC[C@@H]2CCCOC)cs1 ZINC000244735035 189910453 /nfs/dbraw/zinc/91/04/53/189910453.db2.gz NRZSONRIUPYGLU-CYBMUJFWSA-N 1 1 283.441 2.966 50 0 CFAAMO Cc1ccsc1C[N@@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000048216885 373152666 /nfs/dbraw/zinc/15/26/66/373152666.db2.gz NQPBPZGKZRFDFG-UHFFFAOYSA-N 1 1 292.404 2.740 50 0 CFAAMO Cc1ccsc1C[N@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000048216885 373152671 /nfs/dbraw/zinc/15/26/71/373152671.db2.gz NQPBPZGKZRFDFG-UHFFFAOYSA-N 1 1 292.404 2.740 50 0 CFAAMO CCCC[N@H+]1CCC[C@@H](Cn2cc(CCC)nn2)C1 ZINC000048112455 373145569 /nfs/dbraw/zinc/14/55/69/373145569.db2.gz KPJDIXADNBWCHK-CQSZACIVSA-N 1 1 264.417 2.743 50 0 CFAAMO COc1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000048409115 373176935 /nfs/dbraw/zinc/17/69/35/373176935.db2.gz NNCZTZADOQHKFF-UHFFFAOYSA-N 1 1 267.332 2.861 50 0 CFAAMO Cc1ccccc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000048926154 373230786 /nfs/dbraw/zinc/23/07/86/373230786.db2.gz PFWVYWRZNIIWRJ-DZGCQCFKSA-N 1 1 274.408 2.845 50 0 CFAAMO C[NH2+]CCCNCc1cn(C(C)C)c2ccccc12 ZINC000057353475 373589977 /nfs/dbraw/zinc/58/99/77/373589977.db2.gz QSBKFPONBILUOU-UHFFFAOYSA-N 1 1 259.397 2.921 50 0 CFAAMO CCn1nc(C[NH2+]Cc2cccnc2)c(-c2ccccc2)n1 ZINC000057353228 373590465 /nfs/dbraw/zinc/59/04/65/373590465.db2.gz JRKLLDHBNFPZFQ-UHFFFAOYSA-N 1 1 293.374 2.650 50 0 CFAAMO CSCCC[NH2+]C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055211292 373544145 /nfs/dbraw/zinc/54/41/45/373544145.db2.gz LHCNHIFWZMYIBE-UONOGXRCSA-N 1 1 256.459 2.594 50 0 CFAAMO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1cc(C)nn1C ZINC000055369156 373549530 /nfs/dbraw/zinc/54/95/30/373549530.db2.gz NXGPMBDENGBXFW-CQSZACIVSA-N 1 1 293.436 2.563 50 0 CFAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1cc(C)nn1C ZINC000055369156 373549537 /nfs/dbraw/zinc/54/95/37/373549537.db2.gz NXGPMBDENGBXFW-CQSZACIVSA-N 1 1 293.436 2.563 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000058015326 373622551 /nfs/dbraw/zinc/62/25/51/373622551.db2.gz RGQRAWRYHIBTIL-QLFBSQMISA-N 1 1 266.429 2.755 50 0 CFAAMO O=C(CC1CCCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000058007005 373622781 /nfs/dbraw/zinc/62/27/81/373622781.db2.gz CZCBPQWOTLUECI-UHFFFAOYSA-N 1 1 286.419 2.741 50 0 CFAAMO CC[NH+](CC)Cc1nc(-c2ccccc2OC)no1 ZINC000058159348 373629585 /nfs/dbraw/zinc/62/95/85/373629585.db2.gz MGDBYFHHKXUEKE-UHFFFAOYSA-N 1 1 261.325 2.587 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC000058265228 373639402 /nfs/dbraw/zinc/63/94/02/373639402.db2.gz FIXKEFIRKUJKML-LBPRGKRZSA-N 1 1 296.361 2.815 50 0 CFAAMO Cc1[nH+]ccn1CC1CCN(C(=O)c2ccccc2)CC1 ZINC000062130405 373753122 /nfs/dbraw/zinc/75/31/22/373753122.db2.gz PNYYILKLHCELAX-UHFFFAOYSA-N 1 1 283.375 2.744 50 0 CFAAMO CSc1ccc(C[N@@H+](CCO)CC2CCOCC2)cc1 ZINC000063872369 373817519 /nfs/dbraw/zinc/81/75/19/373817519.db2.gz TXIDZDUDNWVDDK-UHFFFAOYSA-N 1 1 295.448 2.629 50 0 CFAAMO Cc1oc(-c2ccc(C)cc2)nc1CN1CC[NH+](C)CC1 ZINC000064553609 373828414 /nfs/dbraw/zinc/82/84/14/373828414.db2.gz UOOUELUIAPSXIH-UHFFFAOYSA-N 1 1 285.391 2.706 50 0 CFAAMO C[C@H]1CCCCN1CC[N@@H+](C)C1CCSCC1 ZINC000065529264 373885532 /nfs/dbraw/zinc/88/55/32/373885532.db2.gz ICMMGBKFYNBOGC-ZDUSSCGKSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@H]1CCCC[N@@H+]1CCN(C)C1CCSCC1 ZINC000065529264 373885540 /nfs/dbraw/zinc/88/55/40/373885540.db2.gz ICMMGBKFYNBOGC-ZDUSSCGKSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCN(C)C1CCSCC1 ZINC000065529264 373885544 /nfs/dbraw/zinc/88/55/44/373885544.db2.gz ICMMGBKFYNBOGC-ZDUSSCGKSA-N 1 1 256.459 2.688 50 0 CFAAMO CC[C@@H]1CCC[N@H+](Cc2noc(-c3ccoc3)n2)C1 ZINC000065565998 373888024 /nfs/dbraw/zinc/88/80/24/373888024.db2.gz MJWYTBRVCQDKJU-LLVKDONJSA-N 1 1 261.325 2.952 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccoc3)n2)C1 ZINC000065565998 373888028 /nfs/dbraw/zinc/88/80/28/373888028.db2.gz MJWYTBRVCQDKJU-LLVKDONJSA-N 1 1 261.325 2.952 50 0 CFAAMO CC[C@H]1CCC[N@H+](Cc2noc(-c3ccoc3)n2)C1 ZINC000065566000 373889473 /nfs/dbraw/zinc/88/94/73/373889473.db2.gz MJWYTBRVCQDKJU-NSHDSACASA-N 1 1 261.325 2.952 50 0 CFAAMO CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccoc3)n2)C1 ZINC000065566000 373889478 /nfs/dbraw/zinc/88/94/78/373889478.db2.gz MJWYTBRVCQDKJU-NSHDSACASA-N 1 1 261.325 2.952 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2cccs2)n1 ZINC000065288326 373854680 /nfs/dbraw/zinc/85/46/80/373854680.db2.gz SRQNYCJEAHMMDI-UHFFFAOYSA-N 1 1 260.322 2.605 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2ccc(OC)cc2)n1 ZINC000065288340 373854866 /nfs/dbraw/zinc/85/48/66/373854866.db2.gz SDJYNBNFQDMTLF-UHFFFAOYSA-N 1 1 284.319 2.552 50 0 CFAAMO Cc1oc(C(C)C)nc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000065293517 373855434 /nfs/dbraw/zinc/85/54/34/373855434.db2.gz LNRAPAMHZWPHND-GFCCVEGCSA-N 1 1 293.411 2.568 50 0 CFAAMO CCCc1[nH+]ccn1-c1ccc2cc[nH]c(=O)c2c1 ZINC000065375939 373860790 /nfs/dbraw/zinc/86/07/90/373860790.db2.gz FTNSOALIXPMNQI-UHFFFAOYSA-N 1 1 253.305 2.666 50 0 CFAAMO O=C(NCCC1=CCC[N@H+](CCCF)C1)c1cccs1 ZINC000065382328 373861832 /nfs/dbraw/zinc/86/18/32/373861832.db2.gz PARBZFVYWWDNKW-UHFFFAOYSA-N 1 1 296.411 2.860 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCc1nnc(Cc2ccccc2)[nH]1 ZINC000065385672 373863285 /nfs/dbraw/zinc/86/32/85/373863285.db2.gz CSTGLBZFMICJDW-HNNXBMFYSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@@H+]1CCCC[C@H]1CCc1nc(Cc2ccccc2)n[nH]1 ZINC000065385672 373863294 /nfs/dbraw/zinc/86/32/94/373863294.db2.gz CSTGLBZFMICJDW-HNNXBMFYSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCc1nc(Cc2ccccc2)n[nH]1 ZINC000065385672 373863303 /nfs/dbraw/zinc/86/33/03/373863303.db2.gz CSTGLBZFMICJDW-HNNXBMFYSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@@H+]1CCCC[C@H]1CCc1n[nH]c(Cc2ccccc2)n1 ZINC000065385672 373863310 /nfs/dbraw/zinc/86/33/10/373863310.db2.gz CSTGLBZFMICJDW-HNNXBMFYSA-N 1 1 284.407 2.812 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCc1n[nH]c(Cc2ccccc2)n1 ZINC000065385672 373863317 /nfs/dbraw/zinc/86/33/17/373863317.db2.gz CSTGLBZFMICJDW-HNNXBMFYSA-N 1 1 284.407 2.812 50 0 CFAAMO O=C(CC[N@@H+]1CC=CCC1)N1CCCc2ccccc21 ZINC000065432712 373870596 /nfs/dbraw/zinc/87/05/96/373870596.db2.gz KUERJOKZFOJJPN-UHFFFAOYSA-N 1 1 270.376 2.618 50 0 CFAAMO Cc1ccoc1C(=O)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000067697029 373995343 /nfs/dbraw/zinc/99/53/43/373995343.db2.gz UNRSXLKILRRVAI-INIZCTEOSA-N 1 1 298.386 2.807 50 0 CFAAMO Cc1cc(O)cc(C)c1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000067724289 373996814 /nfs/dbraw/zinc/99/68/14/373996814.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 1 1 288.435 2.927 50 0 CFAAMO Cc1cc(O)cc(C)c1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000067724289 373996820 /nfs/dbraw/zinc/99/68/20/373996820.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 1 1 288.435 2.927 50 0 CFAAMO Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000067724289 373996828 /nfs/dbraw/zinc/99/68/28/373996828.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 1 1 288.435 2.927 50 0 CFAAMO Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000067724289 373996835 /nfs/dbraw/zinc/99/68/35/373996835.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 1 1 288.435 2.927 50 0 CFAAMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000067757084 373998452 /nfs/dbraw/zinc/99/84/52/373998452.db2.gz FVGDFAQHWSCMIT-INIZCTEOSA-N 1 1 282.391 2.880 50 0 CFAAMO Cc1ccccc1SCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000067757959 373998492 /nfs/dbraw/zinc/99/84/92/373998492.db2.gz VQDMTQHJCPQWIN-AWEZNQCLSA-N 1 1 292.448 2.545 50 0 CFAAMO Cc1ccc(-c2nccn2CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000067785949 374001713 /nfs/dbraw/zinc/00/17/13/374001713.db2.gz DSYONZZXIQDFQU-ZDUSSCGKSA-N 1 1 259.353 2.936 50 0 CFAAMO CC[N@@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCOC1 ZINC000067787153 374002780 /nfs/dbraw/zinc/00/27/80/374002780.db2.gz GNERJNYQJIQYDE-LBPRGKRZSA-N 1 1 291.370 2.603 50 0 CFAAMO CC[N@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCOC1 ZINC000067787153 374002787 /nfs/dbraw/zinc/00/27/87/374002787.db2.gz GNERJNYQJIQYDE-LBPRGKRZSA-N 1 1 291.370 2.603 50 0 CFAAMO CC[N@@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCOC1 ZINC000067787153 374002795 /nfs/dbraw/zinc/00/27/95/374002795.db2.gz GNERJNYQJIQYDE-LBPRGKRZSA-N 1 1 291.370 2.603 50 0 CFAAMO COc1ccc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)nn1 ZINC000067458622 373978714 /nfs/dbraw/zinc/97/87/14/373978714.db2.gz UEBWTIMUTHDRFR-CYBMUJFWSA-N 1 1 299.374 2.545 50 0 CFAAMO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000067713146 373993633 /nfs/dbraw/zinc/99/36/33/373993633.db2.gz NLGMSKKBCXYWPC-LBPRGKRZSA-N 1 1 289.354 2.684 50 0 CFAAMO Fc1ccccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069290039 374053841 /nfs/dbraw/zinc/05/38/41/374053841.db2.gz WSHYGMJLVMZYON-CQSZACIVSA-N 1 1 265.328 2.553 50 0 CFAAMO Fc1ccccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069290039 374053847 /nfs/dbraw/zinc/05/38/47/374053847.db2.gz WSHYGMJLVMZYON-CQSZACIVSA-N 1 1 265.328 2.553 50 0 CFAAMO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069416220 374059790 /nfs/dbraw/zinc/05/97/90/374059790.db2.gz OFZKNLACSBIPCF-ZBFHGGJFSA-N 1 1 274.408 2.637 50 0 CFAAMO CC[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1CCOC1 ZINC000069438215 374064159 /nfs/dbraw/zinc/06/41/59/374064159.db2.gz HDSOTXUEMRTLKH-OAHLLOKOSA-N 1 1 285.391 2.731 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000069518022 374070599 /nfs/dbraw/zinc/07/05/99/374070599.db2.gz ZHIJIYHYIJUCJB-XHSDSOJGSA-N 1 1 276.424 2.818 50 0 CFAAMO Cc1[nH+]cn(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1C ZINC000069533297 374072469 /nfs/dbraw/zinc/07/24/69/374072469.db2.gz VDGNQPLEHVVWBD-AWEZNQCLSA-N 1 1 285.391 2.994 50 0 CFAAMO Cc1n[nH]cc1CNCc1ccccc1C[NH+]1CCCC1 ZINC000069533354 374072903 /nfs/dbraw/zinc/07/29/03/374072903.db2.gz QIIVDHAOTSJHQG-UHFFFAOYSA-N 1 1 284.407 2.604 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000069530538 374072915 /nfs/dbraw/zinc/07/29/15/374072915.db2.gz XTABLQRJHUKUMH-AWEZNQCLSA-N 1 1 292.398 2.874 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccs1 ZINC000069652076 374083082 /nfs/dbraw/zinc/08/30/82/374083082.db2.gz XEOLJAKNIMBNBW-STQMWFEESA-N 1 1 278.421 2.837 50 0 CFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000069901962 374109658 /nfs/dbraw/zinc/10/96/58/374109658.db2.gz MHMKXWWBGQPUFB-CABCVRRESA-N 1 1 273.380 2.711 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000069900680 374109931 /nfs/dbraw/zinc/10/99/31/374109931.db2.gz HIHIMJSBYQLJEY-UHFFFAOYSA-N 1 1 299.418 2.655 50 0 CFAAMO Cc1cnn(CC[NH2+]Cc2ncc(-c3ccccc3)o2)c1 ZINC000069981633 374113646 /nfs/dbraw/zinc/11/36/46/374113646.db2.gz IEIXPKBGMMHQPZ-UHFFFAOYSA-N 1 1 282.347 2.636 50 0 CFAAMO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000069668059 374084683 /nfs/dbraw/zinc/08/46/83/374084683.db2.gz UTUTYAYTMYOUSK-MSOLQXFVSA-N 1 1 299.418 2.907 50 0 CFAAMO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccccc2F)cn1 ZINC000069741056 374091267 /nfs/dbraw/zinc/09/12/67/374091267.db2.gz KPBGVCATLSDXOH-OAHLLOKOSA-N 1 1 259.328 2.896 50 0 CFAAMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccccc2F)cn1 ZINC000069741056 374091274 /nfs/dbraw/zinc/09/12/74/374091274.db2.gz KPBGVCATLSDXOH-OAHLLOKOSA-N 1 1 259.328 2.896 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000071754788 374222029 /nfs/dbraw/zinc/22/20/29/374222029.db2.gz SGERDPSNMHZPMG-CABCVRRESA-N 1 1 287.407 2.650 50 0 CFAAMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2ccsc2)C(=O)O1 ZINC000071812632 374225704 /nfs/dbraw/zinc/22/57/04/374225704.db2.gz LKUAXKZHHPOXPC-YUSALJHKSA-N 1 1 251.351 2.589 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccsc2)C(=O)O1 ZINC000071812632 374225715 /nfs/dbraw/zinc/22/57/15/374225715.db2.gz LKUAXKZHHPOXPC-YUSALJHKSA-N 1 1 251.351 2.589 50 0 CFAAMO Nc1nc(N2CCC[C@@H](CCc3ccccc3)C2)cc[nH+]1 ZINC000072439881 374253622 /nfs/dbraw/zinc/25/36/22/374253622.db2.gz LBTBVAZVSLCXCP-HNNXBMFYSA-N 1 1 282.391 2.908 50 0 CFAAMO Nc1nc(N2CCC[C@H](CCc3ccccc3)C2)cc[nH+]1 ZINC000072439883 374253953 /nfs/dbraw/zinc/25/39/53/374253953.db2.gz LBTBVAZVSLCXCP-OAHLLOKOSA-N 1 1 282.391 2.908 50 0 CFAAMO CCNc1nc(Nc2ccc(NC(C)=O)cc2)cc(C)[nH+]1 ZINC000072436829 374254073 /nfs/dbraw/zinc/25/40/73/374254073.db2.gz MSYLSHTXUPTOEN-UHFFFAOYSA-N 1 1 285.351 2.919 50 0 CFAAMO [NH3+]Cc1nc(-c2cc(C(F)(F)F)ccc2Cl)no1 ZINC000072324022 374246478 /nfs/dbraw/zinc/24/64/78/374246478.db2.gz MNFJVTFIFMFHTN-UHFFFAOYSA-N 1 1 277.633 2.868 50 0 CFAAMO COCc1nc(C)cc(Nc2ccc3c(c2)[nH+]c(C)n3C)n1 ZINC000075055651 374456641 /nfs/dbraw/zinc/45/66/41/374456641.db2.gz KMBHBKUKBITYPW-UHFFFAOYSA-N 1 1 297.362 2.870 50 0 CFAAMO c1c[nH+]c([C@@H]2CCCN(c3cnc4ccccc4n3)C2)[nH]1 ZINC000075721925 374501656 /nfs/dbraw/zinc/50/16/56/374501656.db2.gz RLLNMQBBGBRPJT-GFCCVEGCSA-N 1 1 279.347 2.737 50 0 CFAAMO c1ccc2c(c1)[nH]c1c2C[N@@H+](C[C@H]2CCOC2)CC1 ZINC000077287924 374561069 /nfs/dbraw/zinc/56/10/69/374561069.db2.gz SDDCQBREURKQEK-GFCCVEGCSA-N 1 1 256.349 2.563 50 0 CFAAMO CC(C)[C@H]([NH2+]Cc1cccc(O)c1)c1nnc2ccccn21 ZINC000078978641 374579038 /nfs/dbraw/zinc/57/90/38/374579038.db2.gz CXSQVHQKYLRIQO-INIZCTEOSA-N 1 1 296.374 2.922 50 0 CFAAMO CC[N@H+](Cc1nc2c(cccc2F)[nH]1)C[C@H]1CCOC1 ZINC000079354280 374605872 /nfs/dbraw/zinc/60/58/72/374605872.db2.gz CWMPJKRDRBFFGQ-LLVKDONJSA-N 1 1 277.343 2.560 50 0 CFAAMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000083990531 374761357 /nfs/dbraw/zinc/76/13/57/374761357.db2.gz ZCQKGYIWJACGAT-AWEZNQCLSA-N 1 1 278.421 2.503 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cs1 ZINC000082096541 374725926 /nfs/dbraw/zinc/72/59/26/374725926.db2.gz QILBUBAOMYMIND-LBPRGKRZSA-N 1 1 276.409 2.565 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cs1 ZINC000082096541 374725932 /nfs/dbraw/zinc/72/59/32/374725932.db2.gz QILBUBAOMYMIND-LBPRGKRZSA-N 1 1 276.409 2.565 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000084199791 374768180 /nfs/dbraw/zinc/76/81/80/374768180.db2.gz UVYCPHYYJKMEAN-JTQLQIEISA-N 1 1 296.333 2.880 50 0 CFAAMO C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000084689599 374787949 /nfs/dbraw/zinc/78/79/49/374787949.db2.gz VZXLVQYOJMTAHK-SQNIBIBYSA-N 1 1 294.483 2.857 50 0 CFAAMO CC(C)Cc1csc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000089856532 374960932 /nfs/dbraw/zinc/96/09/32/374960932.db2.gz LXFMPHCEZLNORT-OLZOCXBDSA-N 1 1 266.410 2.877 50 0 CFAAMO Cc1cccc2nc(C[N@H+](C)[C@@H]3CCSC3)cn21 ZINC000089936543 374971296 /nfs/dbraw/zinc/97/12/96/374971296.db2.gz AYGUSWBJPQWXDL-CYBMUJFWSA-N 1 1 261.394 2.580 50 0 CFAAMO C[C@H](c1ccccc1)[N@@H+](C)CCCNC(=O)C(F)(F)F ZINC000089905445 374967316 /nfs/dbraw/zinc/96/73/16/374967316.db2.gz ZDZQKODNYGCVRE-LLVKDONJSA-N 1 1 288.313 2.748 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCSC2)c(F)c1 ZINC000089937531 374971811 /nfs/dbraw/zinc/97/18/11/374971811.db2.gz LKYMGJVJQOXPKU-LBPRGKRZSA-N 1 1 283.368 2.550 50 0 CFAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1[nH]c2ccccc2c1Cl ZINC000089938266 374972407 /nfs/dbraw/zinc/97/24/07/374972407.db2.gz GQXOJPUOMIMIHD-JTQLQIEISA-N 1 1 291.782 2.597 50 0 CFAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1[nH]c2ccccc2c1Cl ZINC000089938266 374972413 /nfs/dbraw/zinc/97/24/13/374972413.db2.gz GQXOJPUOMIMIHD-JTQLQIEISA-N 1 1 291.782 2.597 50 0 CFAAMO CC(C)[N@H+](Cc1cc(C(N)=O)cs1)C[C@H]1C[C@H]1C ZINC000093661800 375291774 /nfs/dbraw/zinc/29/17/74/375291774.db2.gz XSTWVHVXNNCXSE-GHMZBOCLSA-N 1 1 266.410 2.713 50 0 CFAAMO Cn1cc(C[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000093870591 375326318 /nfs/dbraw/zinc/32/63/18/375326318.db2.gz JTUQRCLYYWGLBL-GFCCVEGCSA-N 1 1 291.345 2.763 50 0 CFAAMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000093808612 375313221 /nfs/dbraw/zinc/31/32/21/375313221.db2.gz WTRZBDRNCZPEEV-GFCCVEGCSA-N 1 1 288.416 2.989 50 0 CFAAMO O=Cc1cccc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000095629991 375462779 /nfs/dbraw/zinc/46/27/79/375462779.db2.gz DJIJDRPDLZKOMR-UHFFFAOYSA-N 1 1 280.371 2.821 50 0 CFAAMO c1cc(-c2ccc(C[N@H+]3CCC[C@]4(CCOC4)C3)o2)n[nH]1 ZINC000095358395 375420063 /nfs/dbraw/zinc/42/00/63/375420063.db2.gz KMNZWPOGQDHRSF-INIZCTEOSA-N 1 1 287.363 2.672 50 0 CFAAMO Cc1cnc(NCC[N@H+]2CC[C@@H](c3ccccc3)C2)nc1 ZINC000095359328 375420167 /nfs/dbraw/zinc/42/01/67/375420167.db2.gz XFWLXDBRTZLKMV-MRXNPFEDSA-N 1 1 282.391 2.686 50 0 CFAAMO CCc1cnc(NCCCNc2ccc(C)c[nH+]2)nc1 ZINC000095377333 375425428 /nfs/dbraw/zinc/42/54/28/375425428.db2.gz NOBDIAPFAIFNMT-UHFFFAOYSA-N 1 1 271.368 2.657 50 0 CFAAMO OC[C@@]12C[N@H+](C3CCCCC3)C[C@@H]1c1ccccc1OC2 ZINC000095391134 375428518 /nfs/dbraw/zinc/42/85/18/375428518.db2.gz RNTYTYOHXTWUGW-SJLPKXTDSA-N 1 1 287.403 2.790 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C)CCc2ccccn2)cc1C ZINC000095409697 375434526 /nfs/dbraw/zinc/43/45/26/375434526.db2.gz BMLVDTGSEQDUOS-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+](C)CCc2ccccn2)cc1C ZINC000095409697 375434527 /nfs/dbraw/zinc/43/45/27/375434527.db2.gz BMLVDTGSEQDUOS-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO COCCOCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000095408943 375434652 /nfs/dbraw/zinc/43/46/52/375434652.db2.gz MTBUXOVBOXOPGN-UHFFFAOYSA-N 1 1 273.376 2.935 50 0 CFAAMO CCc1ccc(C[NH2+][C@H](CO)c2ccc(OC)cc2)o1 ZINC000095415489 375437892 /nfs/dbraw/zinc/43/78/92/375437892.db2.gz PBDIZNZWCVKOGY-MRXNPFEDSA-N 1 1 275.348 2.674 50 0 CFAAMO C[C@H](c1ccncc1)[NH+]1CCC(NCc2ccccn2)CC1 ZINC000095431719 375447025 /nfs/dbraw/zinc/44/70/25/375447025.db2.gz DGDKTXVRBWJNGX-OAHLLOKOSA-N 1 1 296.418 2.792 50 0 CFAAMO CCCc1[nH+]ccn1Cc1nc(-c2ccoc2)no1 ZINC000095441058 375451002 /nfs/dbraw/zinc/45/10/02/375451002.db2.gz KEZXTSRFBVAJDJ-UHFFFAOYSA-N 1 1 258.281 2.527 50 0 CFAAMO CCCc1[nH+]ccn1Cc1ccsc1C(=O)OC ZINC000095441045 375451239 /nfs/dbraw/zinc/45/12/39/375451239.db2.gz DIYITFLHXDQHAY-UHFFFAOYSA-N 1 1 264.350 2.732 50 0 CFAAMO CCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096435675 375486358 /nfs/dbraw/zinc/48/63/58/375486358.db2.gz FJFHTMQXPUZWKL-MRXNPFEDSA-N 1 1 289.423 2.560 50 0 CFAAMO CC/C=C(/C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000096443940 375487378 /nfs/dbraw/zinc/48/73/78/375487378.db2.gz YCGMPHXTWRYMTJ-KERCULKWSA-N 1 1 264.413 2.816 50 0 CFAAMO C[C@H]1CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000097229533 375542686 /nfs/dbraw/zinc/54/26/86/375542686.db2.gz DQHSJIVPVKQOSD-QWHCGFSZSA-N 1 1 270.417 2.879 50 0 CFAAMO CC(=O)N1CCC[N@H+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000097084265 375510299 /nfs/dbraw/zinc/51/02/99/375510299.db2.gz GWLCWQLFGXOJCA-AWEZNQCLSA-N 1 1 292.398 2.701 50 0 CFAAMO C[C@H](C[N@H+]1CCCN(C(N)=O)CC1)c1cccc(Cl)c1 ZINC000097103885 375518804 /nfs/dbraw/zinc/51/88/04/375518804.db2.gz SXYLEQIMIVCODF-GFCCVEGCSA-N 1 1 295.814 2.530 50 0 CFAAMO Fc1ccc(O[C@H]2CC[N@@H+](Cc3cncs3)C2)cc1 ZINC000097108646 375521185 /nfs/dbraw/zinc/52/11/85/375521185.db2.gz DXWFZXNULWHQHK-ZDUSSCGKSA-N 1 1 278.352 2.936 50 0 CFAAMO CCn1cc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cn1 ZINC000097108639 375521900 /nfs/dbraw/zinc/52/19/00/375521900.db2.gz HTKBMWOAWHRBBI-INIZCTEOSA-N 1 1 289.354 2.695 50 0 CFAAMO C[C@@H]([NH2+]CC1OCCO1)c1nc(-c2ccccc2)cs1 ZINC000097112179 375523074 /nfs/dbraw/zinc/52/30/74/375523074.db2.gz OSFHRYIWLQKPOJ-LLVKDONJSA-N 1 1 290.388 2.834 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@@H+](C)CCc1ccncc1 ZINC000097113792 375524187 /nfs/dbraw/zinc/52/41/87/375524187.db2.gz AWNGNZKNTKHODA-UHFFFAOYSA-N 1 1 283.375 2.715 50 0 CFAAMO CC(=O)Nc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000097113587 375524351 /nfs/dbraw/zinc/52/43/51/375524351.db2.gz QOHVLPHQALCLGI-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO CCCn1nc(C)c(C[N@H+](C)Cc2cccnc2)c1C ZINC000097113596 375525179 /nfs/dbraw/zinc/52/51/79/375525179.db2.gz IKVUNRAIJNOJFL-UHFFFAOYSA-N 1 1 272.396 2.937 50 0 CFAAMO CCCn1nc(C)c(C[N@@H+](C)Cc2cccnc2)c1C ZINC000097113596 375525184 /nfs/dbraw/zinc/52/51/84/375525184.db2.gz IKVUNRAIJNOJFL-UHFFFAOYSA-N 1 1 272.396 2.937 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)o1 ZINC000097139206 375527109 /nfs/dbraw/zinc/52/71/09/375527109.db2.gz ZUVURSWSSPQVGO-AWEZNQCLSA-N 1 1 273.380 2.776 50 0 CFAAMO Cc1n[nH]c(C)c1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000097140105 375528476 /nfs/dbraw/zinc/52/84/76/375528476.db2.gz DTENZIZQEMKXPA-SFHVURJKSA-N 1 1 298.434 2.953 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)nc1 ZINC000097376957 375554333 /nfs/dbraw/zinc/55/43/33/375554333.db2.gz BAOYKEQOQKOULW-OAHLLOKOSA-N 1 1 284.407 2.578 50 0 CFAAMO OCC[C@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000097730251 375582713 /nfs/dbraw/zinc/58/27/13/375582713.db2.gz RIHMXPXUADLEKO-OAHLLOKOSA-N 1 1 256.349 2.582 50 0 CFAAMO COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1C ZINC000101957642 375661275 /nfs/dbraw/zinc/66/12/75/375661275.db2.gz XEYWGXFTOWWMEW-HALDLXJZSA-N 1 1 275.392 2.515 50 0 CFAAMO c1ccc(N2CCC[N@@H+](CCN3CCCCC3)CC2)cc1 ZINC000132241916 377819181 /nfs/dbraw/zinc/81/91/81/377819181.db2.gz PHXXXZYYZOWAOG-UHFFFAOYSA-N 1 1 287.451 2.685 50 0 CFAAMO c1ccc(N2CCC[N@H+](CCN3CCCCC3)CC2)cc1 ZINC000132241916 377819188 /nfs/dbraw/zinc/81/91/88/377819188.db2.gz PHXXXZYYZOWAOG-UHFFFAOYSA-N 1 1 287.451 2.685 50 0 CFAAMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COC(C)C ZINC000170599644 379124536 /nfs/dbraw/zinc/12/45/36/379124536.db2.gz NBHFSBMZWIEKSW-JSGCOSHPSA-N 1 1 283.437 2.843 50 0 CFAAMO CC[C@](C)([NH2+]Cc1c[nH]nc1C)c1nc(C)cs1 ZINC000174504175 379899432 /nfs/dbraw/zinc/89/94/32/379899432.db2.gz LTIXUDNVBYWVEL-ZDUSSCGKSA-N 1 1 264.398 2.898 50 0 CFAAMO C[C@H](O)CN1CC[N@@H+](CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000408515553 380935930 /nfs/dbraw/zinc/93/59/30/380935930.db2.gz BRLQJCNQEKRTJM-BBWFWOEESA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](O)C[N@@H+]1CCN(CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000408515553 380935933 /nfs/dbraw/zinc/93/59/33/380935933.db2.gz BRLQJCNQEKRTJM-BBWFWOEESA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](O)C[N@H+]1CCN(CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000408515553 380935937 /nfs/dbraw/zinc/93/59/37/380935937.db2.gz BRLQJCNQEKRTJM-BBWFWOEESA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](c1nccc(N)n1)[N@@H+](C)CCCc1ccccc1 ZINC000408523341 380939366 /nfs/dbraw/zinc/93/93/66/380939366.db2.gz IXBKJDARMRNZDS-CYBMUJFWSA-N 1 1 270.380 2.515 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000298502286 381653164 /nfs/dbraw/zinc/65/31/64/381653164.db2.gz OORUSLNETMVRCS-KGLIPLIRSA-N 1 1 278.783 2.697 50 0 CFAAMO C[N@@H+](Cc1ccc(C2CCCC2)cc1)[C@@H]1COC[C@H]1O ZINC000343939341 382029983 /nfs/dbraw/zinc/02/99/83/382029983.db2.gz MQJUZBLJJCCYJN-IAGOWNOFSA-N 1 1 275.392 2.536 50 0 CFAAMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000344174481 382179547 /nfs/dbraw/zinc/17/95/47/382179547.db2.gz QFRKYEZFSXGZTO-STQMWFEESA-N 1 1 288.366 2.967 50 0 CFAAMO Cc1nc(CNc2[nH+]c3cccc(F)c3n2C)c(C)s1 ZINC000328589282 382549929 /nfs/dbraw/zinc/54/99/29/382549929.db2.gz OAPFYKDXKVZAOQ-UHFFFAOYSA-N 1 1 290.367 2.820 50 0 CFAAMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000195530381 382769315 /nfs/dbraw/zinc/76/93/15/382769315.db2.gz UUDYFMYWVPSFCC-KBPBESRZSA-N 1 1 272.396 2.701 50 0 CFAAMO CCC[N@H+](Cc1nnc(C)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000195530726 382769376 /nfs/dbraw/zinc/76/93/76/382769376.db2.gz RMAFSFASDYYPIG-QWHCGFSZSA-N 1 1 281.400 2.794 50 0 CFAAMO CCC[N@@H+](Cc1nnc(C)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000195530726 382769378 /nfs/dbraw/zinc/76/93/78/382769378.db2.gz RMAFSFASDYYPIG-QWHCGFSZSA-N 1 1 281.400 2.794 50 0 CFAAMO Fc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc(F)c1F ZINC000195573475 382769921 /nfs/dbraw/zinc/76/99/21/382769921.db2.gz WEQFBLYMRHQARQ-LBPRGKRZSA-N 1 1 295.308 2.965 50 0 CFAAMO Fc1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc(F)c1F ZINC000195573475 382769923 /nfs/dbraw/zinc/76/99/23/382769923.db2.gz WEQFBLYMRHQARQ-LBPRGKRZSA-N 1 1 295.308 2.965 50 0 CFAAMO COc1ccc(/C=C/CN(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000215069924 382777613 /nfs/dbraw/zinc/77/76/13/382777613.db2.gz ICZQKKDLJMANNP-MQDFFIGUSA-N 1 1 274.408 2.734 50 0 CFAAMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000215180328 382777992 /nfs/dbraw/zinc/77/79/92/382777992.db2.gz ZCUFTCFEPOONSI-CABCVRRESA-N 1 1 267.344 2.570 50 0 CFAAMO CCCn1ccnc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000215329181 382778645 /nfs/dbraw/zinc/77/86/45/382778645.db2.gz ZBZSVTCVGIWVBL-QGZVFWFLSA-N 1 1 298.434 2.782 50 0 CFAAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1cccc2nonc21 ZINC000215552972 382779573 /nfs/dbraw/zinc/77/95/73/382779573.db2.gz LBSKCXKODCFBOF-CYBMUJFWSA-N 1 1 275.352 2.614 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000215884930 382780595 /nfs/dbraw/zinc/78/05/95/382780595.db2.gz JHZWHZASAOHYGZ-OAHLLOKOSA-N 1 1 297.402 2.920 50 0 CFAAMO CCn1ncnc1C[N@@H+]1CCC[C@@H](c2cccc(C)c2)C1 ZINC000215891120 382780866 /nfs/dbraw/zinc/78/08/66/382780866.db2.gz ORETXOMUBVXIBW-MRXNPFEDSA-N 1 1 284.407 2.986 50 0 CFAAMO CCn1ncnc1C[N@H+]1CCC[C@@H](c2cccc(C)c2)C1 ZINC000215891120 382780867 /nfs/dbraw/zinc/78/08/67/382780867.db2.gz ORETXOMUBVXIBW-MRXNPFEDSA-N 1 1 284.407 2.986 50 0 CFAAMO COC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1C ZINC000216127224 382782061 /nfs/dbraw/zinc/78/20/61/382782061.db2.gz IIVWUAYMLGUDSL-KRWDZBQOSA-N 1 1 285.391 2.792 50 0 CFAAMO CCc1nccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)n1 ZINC000216389681 382783064 /nfs/dbraw/zinc/78/30/64/382783064.db2.gz OMIGUTPPTGZYHL-AWEZNQCLSA-N 1 1 286.379 2.981 50 0 CFAAMO CCc1nccc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)n1 ZINC000216389681 382783066 /nfs/dbraw/zinc/78/30/66/382783066.db2.gz OMIGUTPPTGZYHL-AWEZNQCLSA-N 1 1 286.379 2.981 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cccc2nonc21 ZINC000216412223 382783758 /nfs/dbraw/zinc/78/37/58/382783758.db2.gz AILVJYFGACEPLQ-UHFFFAOYSA-N 1 1 299.378 2.627 50 0 CFAAMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000194595995 382749531 /nfs/dbraw/zinc/74/95/31/382749531.db2.gz VQGHNMMUAZXWEX-AGUYFDCRSA-N 1 1 294.345 2.563 50 0 CFAAMO COc1ccc(-c2nc3c([nH]2)C[N@@H+](CC=C(C)C)CC3)cn1 ZINC000222408852 382802052 /nfs/dbraw/zinc/80/20/52/382802052.db2.gz JVSDLZZLKNVHJG-UHFFFAOYSA-N 1 1 298.390 2.805 50 0 CFAAMO CC(C)(C)c1ccc(CC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000225637239 382819426 /nfs/dbraw/zinc/81/94/26/382819426.db2.gz QQWZLFKLVOFRJV-HNNXBMFYSA-N 1 1 288.435 2.724 50 0 CFAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000229836873 382853678 /nfs/dbraw/zinc/85/36/78/382853678.db2.gz OSWISLHGYOIZBU-RBSFLKMASA-N 1 1 265.422 2.936 50 0 CFAAMO CC[N@@H+](C[C@@H](O)c1cc(C)ccc1C)C[C@@H]1CCOC1 ZINC000229836498 382853688 /nfs/dbraw/zinc/85/36/88/382853688.db2.gz PNELGSQDNINNPI-DOTOQJQBSA-N 1 1 277.408 2.695 50 0 CFAAMO CNC(=O)CC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000230166323 382856750 /nfs/dbraw/zinc/85/67/50/382856750.db2.gz MUMVJEOVVMZBOW-WBVHZDCISA-N 1 1 272.392 2.524 50 0 CFAAMO NC(=O)CC[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000535083753 382952250 /nfs/dbraw/zinc/95/22/50/382952250.db2.gz ZCCXGUJHQOOWDA-PEXHTFQZSA-N 1 1 290.382 2.816 50 0 CFAAMO CCCC[N@H+]1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000239475387 382981613 /nfs/dbraw/zinc/98/16/13/382981613.db2.gz ANXDHFAREHYFSO-NVXWUHKLSA-N 1 1 276.424 2.526 50 0 CFAAMO CC[N@H+](Cc1cn2ccc(C)cc2n1)CC1CCOCC1 ZINC000240824925 382982313 /nfs/dbraw/zinc/98/23/13/382982313.db2.gz QMEOUFIGWSROLQ-UHFFFAOYSA-N 1 1 287.407 2.891 50 0 CFAAMO Cc1nc([C@@H]2CCCC[NH2+]2)ncc1C(=O)Nc1ccccc1 ZINC000242620201 382986619 /nfs/dbraw/zinc/98/66/19/382986619.db2.gz PXZZBGURPCTYTO-HNNXBMFYSA-N 1 1 296.374 2.852 50 0 CFAAMO C[N@@H+](Cc1ccoc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000243893242 382987468 /nfs/dbraw/zinc/98/74/68/382987468.db2.gz APRVNPVWJXRAQJ-HNNXBMFYSA-N 1 1 270.332 2.905 50 0 CFAAMO C[N@H+](Cc1ccoc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000243893242 382987471 /nfs/dbraw/zinc/98/74/71/382987471.db2.gz APRVNPVWJXRAQJ-HNNXBMFYSA-N 1 1 270.332 2.905 50 0 CFAAMO CC(C)c1noc(C[N@H+](C)CCC[C@H]2CCCO2)n1 ZINC000243901598 382988520 /nfs/dbraw/zinc/98/85/20/382988520.db2.gz BDEFOXBAPZPWJM-LBPRGKRZSA-N 1 1 267.373 2.584 50 0 CFAAMO CC(C)c1noc(C[N@@H+](C)CCC[C@H]2CCCO2)n1 ZINC000243901598 382988523 /nfs/dbraw/zinc/98/85/23/382988523.db2.gz BDEFOXBAPZPWJM-LBPRGKRZSA-N 1 1 267.373 2.584 50 0 CFAAMO Cc1cnccc1CN(C)CC[N@@H+]1CCCC[C@@H]1C ZINC000244723935 382990977 /nfs/dbraw/zinc/99/09/77/382990977.db2.gz MKPSSQAEVZBFGP-HNNXBMFYSA-N 1 1 261.413 2.696 50 0 CFAAMO CCO[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc(C)c(F)c1 ZINC000244884338 382994458 /nfs/dbraw/zinc/99/44/58/382994458.db2.gz YKKIKDXOXCEUSY-ZDUSSCGKSA-N 1 1 296.386 2.820 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000247051652 383136909 /nfs/dbraw/zinc/13/69/09/383136909.db2.gz AZAUWAXXWRYFKV-KBPBESRZSA-N 1 1 251.395 2.547 50 0 CFAAMO CC[C@@H]1[C@@H](C(=O)NCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000585130775 383116236 /nfs/dbraw/zinc/11/62/36/383116236.db2.gz BQIIABWKSPBZNM-JKSUJKDBSA-N 1 1 286.419 2.565 50 0 CFAAMO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000585132335 383116802 /nfs/dbraw/zinc/11/68/02/383116802.db2.gz ULRCFFVEGJVDJE-LBTNJELSSA-N 1 1 286.419 2.768 50 0 CFAAMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000248144312 383214399 /nfs/dbraw/zinc/21/43/99/383214399.db2.gz RGBQDYQEZUMJJX-SOUVJXGZSA-N 1 1 292.810 2.654 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000248161024 383215802 /nfs/dbraw/zinc/21/58/02/383215802.db2.gz XMTXBSCSRYHILS-LSDHHAIUSA-N 1 1 294.345 2.664 50 0 CFAAMO CO[C@]12CC[N@@H+](Cc3cccc(Cl)c3)[C@H]1C[C@H](O)CC2 ZINC000426674301 383409315 /nfs/dbraw/zinc/40/93/15/383409315.db2.gz PHMPDQVAJIHYRU-OWCLPIDISA-N 1 1 295.810 2.844 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cn2ccc(C)cc2n1 ZINC000252478843 383410167 /nfs/dbraw/zinc/41/01/67/383410167.db2.gz AVURDLJNNPAHOF-UHFFFAOYSA-N 1 1 297.406 2.657 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC000252477892 383410382 /nfs/dbraw/zinc/41/03/82/383410382.db2.gz XIXCPLCKXQOZPZ-RWMBFGLXSA-N 1 1 293.411 2.743 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC000252477892 383410388 /nfs/dbraw/zinc/41/03/88/383410388.db2.gz XIXCPLCKXQOZPZ-RWMBFGLXSA-N 1 1 293.411 2.743 50 0 CFAAMO CNc1nc(C[N@@H+](C)C2Cc3ccccc3C2)cs1 ZINC000252482684 383411081 /nfs/dbraw/zinc/41/10/81/383411081.db2.gz DMALGHHPTCNXRZ-UHFFFAOYSA-N 1 1 273.405 2.784 50 0 CFAAMO C[N@@H+](CCn1cnc2ccccc21)C[C@@H]1CCCCO1 ZINC000252500555 383413952 /nfs/dbraw/zinc/41/39/52/383413952.db2.gz SXQWHHBQEHWTHQ-AWEZNQCLSA-N 1 1 273.380 2.537 50 0 CFAAMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000253432411 383459337 /nfs/dbraw/zinc/45/93/37/383459337.db2.gz YYMZOAOKBYQABS-BHTHQVBYSA-N 1 1 272.392 2.549 50 0 CFAAMO C[C@H]([NH2+][C@@H]1CC(C)(C)CCc2ccccc21)c1nnnn1C ZINC000253429982 383459879 /nfs/dbraw/zinc/45/98/79/383459879.db2.gz VGDUDXCXUMJDQE-SWLSCSKDSA-N 1 1 299.422 2.965 50 0 CFAAMO COc1ccc(-c2csc(C[NH+](C)C)n2)c(OC)c1 ZINC000252569101 383420245 /nfs/dbraw/zinc/42/02/45/383420245.db2.gz VZOMVQJOGWCQKB-UHFFFAOYSA-N 1 1 278.377 2.889 50 0 CFAAMO CCC(=O)N1CC[C@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000257185085 383492047 /nfs/dbraw/zinc/49/20/47/383492047.db2.gz WAGGYSYLBZRHON-CYBMUJFWSA-N 1 1 263.385 2.573 50 0 CFAAMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280154335 384907720 /nfs/dbraw/zinc/90/77/20/384907720.db2.gz DWSRFXOTNHZXJG-XNHCWWPPSA-N 1 1 273.376 2.580 50 0 CFAAMO Cc1ccccc1OC[C@H](O)Cn1cc[nH+]c1C(C)C ZINC000270085773 384971413 /nfs/dbraw/zinc/97/14/13/384971413.db2.gz HLTIETGGOPIIAU-CQSZACIVSA-N 1 1 274.364 2.755 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280316379 384973083 /nfs/dbraw/zinc/97/30/83/384973083.db2.gz QBVIORNWMHXDDX-IUODEOHRSA-N 1 1 281.783 2.720 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280316379 384973088 /nfs/dbraw/zinc/97/30/88/384973088.db2.gz QBVIORNWMHXDDX-IUODEOHRSA-N 1 1 281.783 2.720 50 0 CFAAMO COc1ccc2[nH]c(SCCc3c[nH+]cn3C)nc2c1 ZINC000287190987 385800059 /nfs/dbraw/zinc/80/00/59/385800059.db2.gz KYCAOUOVYDVKGX-UHFFFAOYSA-N 1 1 288.376 2.640 50 0 CFAAMO OC[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000096483859 285289981 /nfs/dbraw/zinc/28/99/81/285289981.db2.gz JMYJZCDPNOLWES-BLLLJJGKSA-N 1 1 263.356 2.907 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccnc(C(C)(C)C)n1 ZINC000095407815 184969897 /nfs/dbraw/zinc/96/98/97/184969897.db2.gz GKYPXPCAMNNWKL-AWEZNQCLSA-N 1 1 299.422 2.948 50 0 CFAAMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCS[C@H](C)CC1 ZINC000192188885 130390250 /nfs/dbraw/zinc/39/02/50/130390250.db2.gz OHMOVNCMRHZCMP-KGLIPLIRSA-N 1 1 292.448 2.519 50 0 CFAAMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000192188891 130391105 /nfs/dbraw/zinc/39/11/05/130391105.db2.gz OHMOVNCMRHZCMP-KBPBESRZSA-N 1 1 292.448 2.519 50 0 CFAAMO Cc1cccc(-n2nnnc2C2([NH+](C)C)CCCCC2)c1 ZINC000004549520 393459612 /nfs/dbraw/zinc/45/96/12/393459612.db2.gz ZSKULAYUZIXCKO-UHFFFAOYSA-N 1 1 285.395 2.692 50 0 CFAAMO Cc1cccc(OC[C@@H](O)C[N@H+](C)Cc2cccs2)c1 ZINC000007166378 393465270 /nfs/dbraw/zinc/46/52/70/393465270.db2.gz OKHQLRICTAUOBV-AWEZNQCLSA-N 1 1 291.416 2.928 50 0 CFAAMO Cc1[nH+]c2ccccc2c2c1CSc1nncn1-2 ZINC000007078221 393466313 /nfs/dbraw/zinc/46/63/13/393466313.db2.gz DVUAOPZQOXTDOP-UHFFFAOYSA-N 1 1 254.318 2.730 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000026511593 393494848 /nfs/dbraw/zinc/49/48/48/393494848.db2.gz AMJBTRSQHMULBV-BETUJISGSA-N 1 1 256.349 2.844 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1C ZINC000071793275 393641542 /nfs/dbraw/zinc/64/15/42/393641542.db2.gz CPLGFGVZGNQBRG-YXPYIKCWSA-N 1 1 284.403 2.785 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)[C@@H](C)CO1 ZINC000225220065 393768144 /nfs/dbraw/zinc/76/81/44/393768144.db2.gz KJJQPHAQWNARPC-QWHCGFSZSA-N 1 1 256.349 2.844 50 0 CFAAMO CC(C)C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000089840144 393771448 /nfs/dbraw/zinc/77/14/48/393771448.db2.gz LETXONVNASBNCO-OAHLLOKOSA-N 1 1 291.370 2.740 50 0 CFAAMO CCn1cc[nH+]c1C1CCN(c2nccs2)CC1 ZINC000091625666 393784368 /nfs/dbraw/zinc/78/43/68/393784368.db2.gz FUXGETGLUQVGQT-UHFFFAOYSA-N 1 1 262.382 2.744 50 0 CFAAMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611041 393802282 /nfs/dbraw/zinc/80/22/82/393802282.db2.gz PMYFAPUPXBFQFA-KGLIPLIRSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611041 393802285 /nfs/dbraw/zinc/80/22/85/393802285.db2.gz PMYFAPUPXBFQFA-KGLIPLIRSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611041 393802288 /nfs/dbraw/zinc/80/22/88/393802288.db2.gz PMYFAPUPXBFQFA-KGLIPLIRSA-N 1 1 263.385 2.579 50 0 CFAAMO Cc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000095460799 393812826 /nfs/dbraw/zinc/81/28/26/393812826.db2.gz XVAZCKWHFWEZGZ-HNNXBMFYSA-N 1 1 275.396 2.799 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2)C1 ZINC000096180195 393815921 /nfs/dbraw/zinc/81/59/21/393815921.db2.gz SEBFOJGFKLCDEP-QXPKXGMISA-N 1 1 286.419 2.936 50 0 CFAAMO C[N@H+](Cc1csc(-c2ccoc2)n1)C(C)(C)CO ZINC000096412970 393825068 /nfs/dbraw/zinc/82/50/68/393825068.db2.gz BMHJQBGMFUUEPZ-UHFFFAOYSA-N 1 1 266.366 2.606 50 0 CFAAMO C[N@@H+](Cc1csc(-c2ccoc2)n1)C(C)(C)CO ZINC000096412970 393825073 /nfs/dbraw/zinc/82/50/73/393825073.db2.gz BMHJQBGMFUUEPZ-UHFFFAOYSA-N 1 1 266.366 2.606 50 0 CFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CSc2ccccc2)C1 ZINC000096432433 393831614 /nfs/dbraw/zinc/83/16/14/393831614.db2.gz NACDWLVUMFFGPL-AWEZNQCLSA-N 1 1 292.448 2.579 50 0 CFAAMO CC(C)(C)[C@H](O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000343848980 393890494 /nfs/dbraw/zinc/89/04/94/393890494.db2.gz UICWMGKSLFWULG-OAHLLOKOSA-N 1 1 259.393 2.941 50 0 CFAAMO C[N@@H+](CCC(=O)NCc1cccs1)Cc1ccsc1 ZINC000252486398 393935559 /nfs/dbraw/zinc/93/55/59/393935559.db2.gz HKYOJBVXHPUWPJ-UHFFFAOYSA-N 1 1 294.445 2.948 50 0 CFAAMO CC[C@H](O)C[N@@H+](C)C[C@H]1CCCc2sc(C)nc21 ZINC000366597774 394245698 /nfs/dbraw/zinc/24/56/98/394245698.db2.gz VHGAVNIEMWQCGU-NEPJUHHUSA-N 1 1 268.426 2.574 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CC=CCC2)ccn1 ZINC000047012843 397583826 /nfs/dbraw/zinc/58/38/26/397583826.db2.gz GPRLAGWFGXYNEY-OAHLLOKOSA-N 1 1 296.374 2.548 50 0 CFAAMO C(=C\c1ccccc1)\C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000101138744 397593099 /nfs/dbraw/zinc/59/30/99/397593099.db2.gz WHMMCVBNEORLJZ-UXHZXRBQSA-N 1 1 282.391 2.846 50 0 CFAAMO Cc1ccccc1OCCC[N@H+]1CC[C@H](N2CC=CC2)C1 ZINC000101269955 397593344 /nfs/dbraw/zinc/59/33/44/397593344.db2.gz IZQSUBJWNOEICF-KRWDZBQOSA-N 1 1 286.419 2.710 50 0 CFAAMO Cc1ccccc1OCCCN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101269955 397593346 /nfs/dbraw/zinc/59/33/46/397593346.db2.gz IZQSUBJWNOEICF-KRWDZBQOSA-N 1 1 286.419 2.710 50 0 CFAAMO CCn1cc(C[N@@H+](C)[C@H]2CCC[C@H]2SC)cn1 ZINC000108488511 397598366 /nfs/dbraw/zinc/59/83/66/397598366.db2.gz OBZYOCOVFBWAQX-QWHCGFSZSA-N 1 1 253.415 2.619 50 0 CFAAMO COCCCN1CCC([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000108501918 397598402 /nfs/dbraw/zinc/59/84/02/397598402.db2.gz VOSZRWVKSHDDNX-ZMSDIMECSA-N 1 1 282.472 2.902 50 0 CFAAMO Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000215151800 397619427 /nfs/dbraw/zinc/61/94/27/397619427.db2.gz WWJXPYFQYNWQJK-ZDUSSCGKSA-N 1 1 280.799 2.863 50 0 CFAAMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCCC1 ZINC000004938408 170042600 /nfs/dbraw/zinc/04/26/00/170042600.db2.gz PBLVVYSRYXOMHL-UHFFFAOYSA-N 1 1 252.745 2.683 50 0 CFAAMO C[N@@H+](C[C@@H](O)COc1ccccc1)C1CCCCC1 ZINC000004990655 170050663 /nfs/dbraw/zinc/05/06/63/170050663.db2.gz BPTFYUCYAIDRRA-OAHLLOKOSA-N 1 1 263.381 2.691 50 0 CFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccn1 ZINC000005937441 170158390 /nfs/dbraw/zinc/15/83/90/170158390.db2.gz FPFKJEKSVNIPBU-HNNXBMFYSA-N 1 1 299.374 2.632 50 0 CFAAMO C[NH+]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000006401321 170198462 /nfs/dbraw/zinc/19/84/62/170198462.db2.gz MGNUCLFSCGAOCH-UHFFFAOYSA-N 1 1 296.370 2.867 50 0 CFAAMO COc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000006587798 170216948 /nfs/dbraw/zinc/21/69/48/170216948.db2.gz RZSLICYHKDZYBX-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000006587798 170216949 /nfs/dbraw/zinc/21/69/49/170216949.db2.gz RZSLICYHKDZYBX-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000007384166 170281811 /nfs/dbraw/zinc/28/18/11/170281811.db2.gz XPQBFKXAEHHWMA-RYUDHWBXSA-N 1 1 264.344 2.885 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](C)C1 ZINC000007384166 170281812 /nfs/dbraw/zinc/28/18/12/170281812.db2.gz XPQBFKXAEHHWMA-RYUDHWBXSA-N 1 1 264.344 2.885 50 0 CFAAMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007444965 170285153 /nfs/dbraw/zinc/28/51/53/170285153.db2.gz VQIIURZTILVKCQ-HOCLYGCPSA-N 1 1 274.408 2.813 50 0 CFAAMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007444965 170285154 /nfs/dbraw/zinc/28/51/54/170285154.db2.gz VQIIURZTILVKCQ-HOCLYGCPSA-N 1 1 274.408 2.813 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000007636273 170294323 /nfs/dbraw/zinc/29/43/23/170294323.db2.gz ABONSXHZHXQBBR-GJZGRUSLSA-N 1 1 263.381 2.609 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2)no1 ZINC000008532406 170338987 /nfs/dbraw/zinc/33/89/87/170338987.db2.gz AGIKJPNOZVPXSV-LLVKDONJSA-N 1 1 291.326 2.581 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)no1 ZINC000008532406 170338989 /nfs/dbraw/zinc/33/89/89/170338989.db2.gz AGIKJPNOZVPXSV-LLVKDONJSA-N 1 1 291.326 2.581 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000009155568 170364618 /nfs/dbraw/zinc/36/46/18/170364618.db2.gz CPWZLJDIPSUBKX-NSHDSACASA-N 1 1 264.344 2.805 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000009155568 170364619 /nfs/dbraw/zinc/36/46/19/170364619.db2.gz CPWZLJDIPSUBKX-NSHDSACASA-N 1 1 264.344 2.805 50 0 CFAAMO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)sc1C ZINC000009224951 170367522 /nfs/dbraw/zinc/36/75/22/170367522.db2.gz YZVYHNVVPFVMCZ-LLVKDONJSA-N 1 1 281.425 2.819 50 0 CFAAMO CC(C)NC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012704953 170504312 /nfs/dbraw/zinc/50/43/12/170504312.db2.gz NRJIDAMQEXTXMT-AWEZNQCLSA-N 1 1 281.444 2.881 50 0 CFAAMO CSc1ccc(C[NH2+]Cc2nnc3ccccn32)cc1 ZINC000020185690 171048701 /nfs/dbraw/zinc/04/87/01/171048701.db2.gz BTEJPLTXLZZFHE-UHFFFAOYSA-N 1 1 284.388 2.741 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000020284431 171133610 /nfs/dbraw/zinc/13/36/10/171133610.db2.gz RJDOUSYOOIZENO-LLVKDONJSA-N 1 1 273.302 2.997 50 0 CFAAMO FC(F)(F)c1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000020653128 171268953 /nfs/dbraw/zinc/26/89/53/171268953.db2.gz HBNXKFXBFOKDJE-UHFFFAOYSA-N 1 1 289.297 2.807 50 0 CFAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000021720091 171320972 /nfs/dbraw/zinc/32/09/72/171320972.db2.gz ILTCDPCRPMIKRD-CQSZACIVSA-N 1 1 274.368 2.670 50 0 CFAAMO C[C@@H]1[C@H]2CCC[N@H+]2CCN1Cc1c(F)cccc1F ZINC000022078396 171352561 /nfs/dbraw/zinc/35/25/61/171352561.db2.gz UNZAXWODHKWUBV-IAQYHMDHSA-N 1 1 266.335 2.633 50 0 CFAAMO COc1cc2c(cc1OC)C[N@H+](Cc1ccco1)CC2 ZINC000022591179 171393466 /nfs/dbraw/zinc/39/34/66/171393466.db2.gz XUDLMRDXLZKFTN-UHFFFAOYSA-N 1 1 273.332 2.855 50 0 CFAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccco1)CC2 ZINC000022591179 171393467 /nfs/dbraw/zinc/39/34/67/171393467.db2.gz XUDLMRDXLZKFTN-UHFFFAOYSA-N 1 1 273.332 2.855 50 0 CFAAMO Cc1ccn2c(N)c(-c3ccc4c(c3)OCO4)[nH+]c2c1 ZINC000036222102 172519685 /nfs/dbraw/zinc/51/96/85/172519685.db2.gz QWYATBSWCGUJSG-UHFFFAOYSA-N 1 1 267.288 2.621 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(F)cc1 ZINC000037487703 173229948 /nfs/dbraw/zinc/22/99/48/173229948.db2.gz FAABNEUFMRZEEQ-ZDUSSCGKSA-N 1 1 278.371 2.820 50 0 CFAAMO COc1ccc(CNc2cc(C)[nH+]c(C)n2)cc1OC ZINC000037498670 173237082 /nfs/dbraw/zinc/23/70/82/173237082.db2.gz YNPQMLHXQUIRIH-UHFFFAOYSA-N 1 1 273.336 2.723 50 0 CFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000040088355 174188805 /nfs/dbraw/zinc/18/88/05/174188805.db2.gz BKXVOJCURDETSW-NSHDSACASA-N 1 1 293.798 2.946 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000040161815 174196526 /nfs/dbraw/zinc/19/65/26/174196526.db2.gz DHXJVLCSAREPBB-CQSZACIVSA-N 1 1 264.413 2.868 50 0 CFAAMO Cc1nc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cs1 ZINC000040451577 174266196 /nfs/dbraw/zinc/26/61/96/174266196.db2.gz BMNPWHSACTXVJH-UHFFFAOYSA-N 1 1 285.376 2.526 50 0 CFAAMO CC(C)Oc1ccc(Cl)cc1CNCC[NH+](C)C ZINC000040719665 174385192 /nfs/dbraw/zinc/38/51/92/174385192.db2.gz CUDKVHSQIDKUAD-UHFFFAOYSA-N 1 1 270.804 2.778 50 0 CFAAMO Nc1c(Cl)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043665716 175086466 /nfs/dbraw/zinc/08/64/66/175086466.db2.gz PRPMMHCYSZZNSB-GFCCVEGCSA-N 1 1 276.771 2.566 50 0 CFAAMO CCOc1ccccc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000044535888 175199171 /nfs/dbraw/zinc/19/91/71/175199171.db2.gz QTZNUQMUTCJDFA-CQSZACIVSA-N 1 1 262.397 2.517 50 0 CFAAMO CCOc1ccccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044535888 175199176 /nfs/dbraw/zinc/19/91/76/175199176.db2.gz QTZNUQMUTCJDFA-CQSZACIVSA-N 1 1 262.397 2.517 50 0 CFAAMO CSCC[C@@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000045893208 175385547 /nfs/dbraw/zinc/38/55/47/175385547.db2.gz YRMRZLXVUUGGKJ-SNVBAGLBSA-N 1 1 267.329 2.629 50 0 CFAAMO Cc1ccsc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000046858657 175399957 /nfs/dbraw/zinc/39/99/57/175399957.db2.gz OEKNSUOTNNUOII-GFCCVEGCSA-N 1 1 266.410 2.661 50 0 CFAAMO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000069589624 175840963 /nfs/dbraw/zinc/84/09/63/175840963.db2.gz YOWCXUFZGUTUPY-GHMZBOCLSA-N 1 1 284.350 2.776 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071750754 176260143 /nfs/dbraw/zinc/26/01/43/176260143.db2.gz LOBFTDTUTHSAIP-SOUVJXGZSA-N 1 1 287.407 2.992 50 0 CFAAMO C[C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000071842072 176274781 /nfs/dbraw/zinc/27/47/81/176274781.db2.gz GLRKPSWDXROQEP-LBPRGKRZSA-N 1 1 271.364 2.545 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000071842072 176274783 /nfs/dbraw/zinc/27/47/83/176274783.db2.gz GLRKPSWDXROQEP-LBPRGKRZSA-N 1 1 271.364 2.545 50 0 CFAAMO CC(C)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000071858780 176279486 /nfs/dbraw/zinc/27/94/86/176279486.db2.gz FZKQJIMZIXADIR-LBPRGKRZSA-N 1 1 261.325 2.950 50 0 CFAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@@H](C)c2cccnc2)c1 ZINC000071875932 176285376 /nfs/dbraw/zinc/28/53/76/176285376.db2.gz BUSJYNTVXAYMST-HOCLYGCPSA-N 1 1 270.380 2.812 50 0 CFAAMO CCOC[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000071904860 176295725 /nfs/dbraw/zinc/29/57/25/176295725.db2.gz JHNOOEYTEMPGBU-WFASDCNBSA-N 1 1 269.360 2.606 50 0 CFAAMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCO)C1 ZINC000071905405 176296185 /nfs/dbraw/zinc/29/61/85/176296185.db2.gz OFYHBCULHPANFM-IAGOWNOFSA-N 1 1 282.472 2.735 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCO)C1 ZINC000071905405 176296186 /nfs/dbraw/zinc/29/61/86/176296186.db2.gz OFYHBCULHPANFM-IAGOWNOFSA-N 1 1 282.472 2.735 50 0 CFAAMO Cc1nnc(C[N@H+](CCc2cccc(F)c2)C2CC2)o1 ZINC000071905297 176296269 /nfs/dbraw/zinc/29/62/69/176296269.db2.gz RWURAVNJGLVNTL-UHFFFAOYSA-N 1 1 275.327 2.724 50 0 CFAAMO Cc1nnc(C[N@@H+](CCc2cccc(F)c2)C2CC2)o1 ZINC000071905297 176296271 /nfs/dbraw/zinc/29/62/71/176296271.db2.gz RWURAVNJGLVNTL-UHFFFAOYSA-N 1 1 275.327 2.724 50 0 CFAAMO CCn1ccnc1C[N@@H+]1CCCN(c2ccccc2C)CC1 ZINC000072146386 176325177 /nfs/dbraw/zinc/32/51/77/176325177.db2.gz DTRBLQFRYHQANY-UHFFFAOYSA-N 1 1 298.434 2.924 50 0 CFAAMO CCn1ccnc1C[N@H+]1CCCN(c2ccccc2C)CC1 ZINC000072146386 176325178 /nfs/dbraw/zinc/32/51/78/176325178.db2.gz DTRBLQFRYHQANY-UHFFFAOYSA-N 1 1 298.434 2.924 50 0 CFAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)C[C@H]1CCOC1 ZINC000072150243 176326265 /nfs/dbraw/zinc/32/62/65/176326265.db2.gz CGFUOJDCFJZGDC-CYBMUJFWSA-N 1 1 272.348 2.810 50 0 CFAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)cc(=O)[nH]1 ZINC000072171463 176333024 /nfs/dbraw/zinc/33/30/24/176333024.db2.gz KJGWLHNGRXQEJB-ZDUSSCGKSA-N 1 1 289.404 2.519 50 0 CFAAMO Cc1ccccc1CC[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000072174145 176333633 /nfs/dbraw/zinc/33/36/33/176333633.db2.gz YNKDPVZXAKANAB-KRWDZBQOSA-N 1 1 291.435 2.649 50 0 CFAAMO Cc1ccc(C(=O)N2CCC[N@@H+](CC3CC3)CC2)cc1C ZINC000072254378 176350678 /nfs/dbraw/zinc/35/06/78/176350678.db2.gz CKQZSYGIVSUBSD-UHFFFAOYSA-N 1 1 286.419 2.861 50 0 CFAAMO O=C(c1ccc(F)cc1F)N1CCC[N@@H+](CC2CC2)CC1 ZINC000072254372 176350798 /nfs/dbraw/zinc/35/07/98/176350798.db2.gz ILKUUMCHCPLMGD-UHFFFAOYSA-N 1 1 294.345 2.523 50 0 CFAAMO c1csc(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000077374971 177260010 /nfs/dbraw/zinc/26/00/10/177260010.db2.gz HKAWEEVFWZZFJA-HNNXBMFYSA-N 1 1 294.464 2.825 50 0 CFAAMO CCCc1cnc(C)nc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077380314 177260556 /nfs/dbraw/zinc/26/05/56/177260556.db2.gz RLOQTAMULTVVMJ-AWEZNQCLSA-N 1 1 285.395 2.845 50 0 CFAAMO CCCCN(C/C=C/c1ccccc1)C[C@]1(O)CC[NH2+]C1 ZINC000077458283 177271172 /nfs/dbraw/zinc/27/11/72/177271172.db2.gz KETPQHSSICBLNK-HKMNZKMDSA-N 1 1 288.435 2.526 50 0 CFAAMO CCn1cc(C[N@H+]2CCC[C@@H](CCCOC)C2)cn1 ZINC000077554167 177280929 /nfs/dbraw/zinc/28/09/29/177280929.db2.gz VCXAHXSMXZNQEL-AWEZNQCLSA-N 1 1 265.401 2.542 50 0 CFAAMO COc1nc2ccccc2cc1-c1cc(N)cc[nH+]1 ZINC000065366048 274168679 /nfs/dbraw/zinc/16/86/79/274168679.db2.gz VGNTVPLHFXXRHZ-UHFFFAOYSA-N 1 1 251.289 2.888 50 0 CFAAMO NC(=O)[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000026162286 274936078 /nfs/dbraw/zinc/93/60/78/274936078.db2.gz CCPKXFZSANQKJU-SJORKVTESA-N 1 1 280.371 2.880 50 0 CFAAMO c1ccc(N2CCC[N@H+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000334199349 275067701 /nfs/dbraw/zinc/06/77/01/275067701.db2.gz NICOUHDFSUJMSC-INIZCTEOSA-N 1 1 274.408 2.625 50 0 CFAAMO CC(C)c1nnsc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000095376958 276078129 /nfs/dbraw/zinc/07/81/29/276078129.db2.gz ZYYJOUPXMNLLNP-CQSZACIVSA-N 1 1 281.425 2.664 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000252485173 277223155 /nfs/dbraw/zinc/22/31/55/277223155.db2.gz GOSGBBJZRAQKHY-JTQLQIEISA-N 1 1 271.348 2.517 50 0 CFAAMO CC(C)CC[C@H](C)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000084715248 277364411 /nfs/dbraw/zinc/36/44/11/277364411.db2.gz LYLHIANYVMSYEX-SOUVJXGZSA-N 1 1 281.444 2.689 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cccc1 ZINC000334160310 279334904 /nfs/dbraw/zinc/33/49/04/279334904.db2.gz AWRZSCOGKGAYJC-HOTGVXAUSA-N 1 1 291.439 2.676 50 0 CFAAMO O=C1CCCN1CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000068333587 280251135 /nfs/dbraw/zinc/25/11/35/280251135.db2.gz OHLDXQSJLORDDW-KRWDZBQOSA-N 1 1 284.403 2.761 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(F)(F)F ZINC000004020237 281127107 /nfs/dbraw/zinc/12/71/07/281127107.db2.gz BUKDWQICSAAFJH-YPMHNXCESA-N 1 1 298.308 2.692 50 0 CFAAMO Cc1ccc2cc(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)[nH]c2c1 ZINC000058181390 281140066 /nfs/dbraw/zinc/14/00/66/281140066.db2.gz JJSGFJNESVTDTK-CQSZACIVSA-N 1 1 299.418 2.936 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)c2cncc(Cl)c2)CCCC1 ZINC000534649437 328343781 /nfs/dbraw/zinc/34/37/81/328343781.db2.gz ZPOLWORNGXAUAQ-UHFFFAOYSA-N 1 1 295.814 2.729 50 0 CFAAMO Cc1nc(C[N@H+](C[C@@H](C)O)C2CCCCC2)cs1 ZINC000120645065 534348670 /nfs/dbraw/zinc/34/86/70/534348670.db2.gz MXFBETZOQWZWFI-LLVKDONJSA-N 1 1 268.426 2.967 50 0 CFAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1=CCCCC1 ZINC000245305027 524897982 /nfs/dbraw/zinc/89/79/82/524897982.db2.gz HQINMAFRBSYHGB-UKRRQHHQSA-N 1 1 264.413 2.676 50 0 CFAAMO C[C@H](O)c1ccc(-c2ccc(CNCC[NH+](C)C)o2)cc1 ZINC000019872361 525851613 /nfs/dbraw/zinc/85/16/13/525851613.db2.gz RYBLYPBCPMQXOB-ZDUSSCGKSA-N 1 1 288.391 2.651 50 0 CFAAMO CC(C)(C)OCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000096490444 526553002 /nfs/dbraw/zinc/55/30/02/526553002.db2.gz VZOBOOHWNAIGRE-ZDUSSCGKSA-N 1 1 292.427 2.608 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000170602984 526901665 /nfs/dbraw/zinc/90/16/65/526901665.db2.gz FFWLPXVTHTUGHH-LRDDRELGSA-N 1 1 278.371 2.530 50 0 CFAAMO CCC1=NO[C@@H](C[N@H+](C)Cc2ccc(CC)cn2)C1 ZINC000252493391 545529828 /nfs/dbraw/zinc/52/98/28/545529828.db2.gz NBDNDOBSZOOHIZ-OAHLLOKOSA-N 1 1 261.369 2.631 50 0 CFAAMO CCC1=NO[C@@H](C[N@@H+](C)Cc2ccc(CC)cn2)C1 ZINC000252493391 545529830 /nfs/dbraw/zinc/52/98/30/545529830.db2.gz NBDNDOBSZOOHIZ-OAHLLOKOSA-N 1 1 261.369 2.631 50 0 CFAAMO CSc1ccc(NC(=O)NC[C@@]2(C)CC[N@@H+](C)C2)cc1 ZINC000952973392 617280468 /nfs/dbraw/zinc/28/04/68/617280468.db2.gz LEMWNNDGKLWBGA-OAHLLOKOSA-N 1 1 293.436 2.872 50 0 CFAAMO CC1=C(CC[N@H+]2C[C@@H](O)[C@H](F)C2)C(C)(C)CCC1 ZINC000952990928 614968529 /nfs/dbraw/zinc/96/85/29/614968529.db2.gz KARDWADXNBDTTL-ZIAGYGMSSA-N 1 1 255.377 2.918 50 0 CFAAMO CC[C@H](C(=O)N1CCC(CC)(CC)C1)[N@@H+](C)CC ZINC000952979068 615600492 /nfs/dbraw/zinc/60/04/92/615600492.db2.gz QTPCOAYAMACMCB-CYBMUJFWSA-N 1 1 254.418 2.755 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000952969393 615777406 /nfs/dbraw/zinc/77/74/06/615777406.db2.gz STQGSJFLAZGDLN-OAHLLOKOSA-N 1 1 298.390 2.594 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000229475791 618247339 /nfs/dbraw/zinc/24/73/39/618247339.db2.gz VZOFCGUVUCUHGV-CVEARBPZSA-N 1 1 278.440 2.923 50 0 CFAAMO C/C=C/C=C/C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437746 620383093 /nfs/dbraw/zinc/38/30/93/620383093.db2.gz NVTPWVDUBVPICO-MQQKCMAXSA-N 1 1 291.782 2.516 50 0 CFAAMO CCc1cc(N[C@H]2CCO[C@@H]2c2cccnc2)nc(C)[nH+]1 ZINC000282903953 620497407 /nfs/dbraw/zinc/49/74/07/620497407.db2.gz GGDRFTBCUWYTCZ-GOEBONIOSA-N 1 1 284.363 2.685 50 0 CFAAMO Fc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000055542890 626081567 /nfs/dbraw/zinc/08/15/67/626081567.db2.gz SNVLCYGMJMNGSP-UHFFFAOYSA-N 1 1 260.312 2.741 50 0 CFAAMO C[C@H]1CN(c2ncncc2Cl)CC[N@H+]1C1CCCC1 ZINC000952992956 650792568 /nfs/dbraw/zinc/79/25/68/650792568.db2.gz DOIDBPMFNQGHAW-NSHDSACASA-N 1 1 280.803 2.583 50 0 CFAAMO CCCO[C@@H]1CCCN(C[C@@H]2CCCCC[N@H+]2C)C1 ZINC000019884781 651294920 /nfs/dbraw/zinc/29/49/20/651294920.db2.gz GRQMHXSSAHAFDW-JKSUJKDBSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@@H]1CCC[N@H+](C[C@@H]2CCCCCN2C)C1 ZINC000019884781 651294923 /nfs/dbraw/zinc/29/49/23/651294923.db2.gz GRQMHXSSAHAFDW-JKSUJKDBSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](C[C@@H]2CCCCCN2C)C1 ZINC000019884781 651294926 /nfs/dbraw/zinc/29/49/26/651294926.db2.gz GRQMHXSSAHAFDW-JKSUJKDBSA-N 1 1 268.445 2.752 50 0 CFAAMO CN1CC[C@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000020535329 651299902 /nfs/dbraw/zinc/29/99/02/651299902.db2.gz JSQOPRTXVVOROJ-KRWDZBQOSA-N 1 1 288.435 2.619 50 0 CFAAMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(C(N)=O)s1 ZINC000023430051 775430538 /nfs/dbraw/zinc/43/05/38/775430538.db2.gz QKEOVADXGITEAC-SNVBAGLBSA-N 1 1 252.383 2.640 50 0 CFAAMO O[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@@H]21 ZINC000675012186 775982371 /nfs/dbraw/zinc/98/23/71/775982371.db2.gz XWVKNSVXESWWEQ-BYCMXARLSA-N 1 1 267.319 2.558 50 0 CFAAMO Cc1ccsc1[C@@H]1CC[N@H+](C2CC=CC2)C[C@H]1O ZINC000065431509 780382237 /nfs/dbraw/zinc/38/22/37/780382237.db2.gz PXTSDSCFLBDLJD-ZIAGYGMSSA-N 1 1 263.406 2.925 50 0 CFAAMO c1cc2c(nc[nH+]c2NCCCC[C@@H]2CCCO2)[nH]1 ZINC000820385554 781867617 /nfs/dbraw/zinc/86/76/17/781867617.db2.gz NNRHJFHDZVSFQU-LLVKDONJSA-N 1 1 260.341 2.671 50 0 CFAAMO CC(C)c1cnc(N[C@H]2CC[N@H+](C(C)(C)C)C2)nc1 ZINC000822273331 781896127 /nfs/dbraw/zinc/89/61/27/781896127.db2.gz PTGPIFHNKOPJMZ-ZDUSSCGKSA-N 1 1 262.401 2.885 50 0 CFAAMO CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000822564338 781905286 /nfs/dbraw/zinc/90/52/86/781905286.db2.gz WKEFRMTWEBYEEN-AWEZNQCLSA-N 1 1 296.436 2.639 50 0 CFAAMO CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000822564338 781905294 /nfs/dbraw/zinc/90/52/94/781905294.db2.gz WKEFRMTWEBYEEN-AWEZNQCLSA-N 1 1 296.436 2.639 50 0 CFAAMO Cc1cc(NC[C@@H]2CC(=O)Nc3ccccc32)nc(C)[nH+]1 ZINC000096453763 230376479 /nfs/dbraw/zinc/37/64/79/230376479.db2.gz UAZFOZMJUQUEDG-LBPRGKRZSA-N 1 1 282.347 2.631 50 0 CFAAMO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(C)cc2)n1C ZINC000096490758 230382682 /nfs/dbraw/zinc/38/26/82/230382682.db2.gz GDOLHDWHIWWLTB-AWEZNQCLSA-N 1 1 272.396 2.927 50 0 CFAAMO COc1ccc(O[C@@]23CC[N@@H+](C2)CCC3)c(Cl)c1 ZINC000067713432 346816304 /nfs/dbraw/zinc/81/63/04/346816304.db2.gz FRGMBUHBLVJKEO-AWEZNQCLSA-N 1 1 267.756 2.966 50 0 CFAAMO C[C@@H]1C[N@H+](CCCCNc2ncccc2F)C[C@H](C)O1 ZINC000095970988 185048954 /nfs/dbraw/zinc/04/89/54/185048954.db2.gz WWUUVYCUZGGXRC-BETUJISGSA-N 1 1 281.375 2.522 50 0 CFAAMO COc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000095972681 185049395 /nfs/dbraw/zinc/04/93/95/185049395.db2.gz APVUGNCZZPYUEI-AWEZNQCLSA-N 1 1 271.364 2.798 50 0 CFAAMO c1ncn(-c2cccc(CNc3[nH]c4ccccc4[nH+]3)c2)n1 ZINC000095977447 185052018 /nfs/dbraw/zinc/05/20/18/185052018.db2.gz QVTOSOATKPJXAN-UHFFFAOYSA-N 1 1 290.330 2.756 50 0 CFAAMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCc2c1cccc2Cl ZINC000095978589 185052030 /nfs/dbraw/zinc/05/20/30/185052030.db2.gz IENZIGAQRKXAJD-AWEZNQCLSA-N 1 1 278.783 2.538 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1O ZINC000095979207 185052846 /nfs/dbraw/zinc/05/28/46/185052846.db2.gz UDHINFXEVWTDMG-XQQFMLRXSA-N 1 1 276.380 2.900 50 0 CFAAMO Cc1nc(CN[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000095986401 185055992 /nfs/dbraw/zinc/05/59/92/185055992.db2.gz GXJDWDTUSQGPOM-LLVKDONJSA-N 1 1 297.362 2.723 50 0 CFAAMO Cc1ccc(OCCN(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000124757610 187152288 /nfs/dbraw/zinc/15/22/88/187152288.db2.gz WEJKIQMPZFBUSL-MRXNPFEDSA-N 1 1 276.424 2.790 50 0 CFAAMO CC(C)OC[C@@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000096990505 185146444 /nfs/dbraw/zinc/14/64/44/185146444.db2.gz ZNXPKNMBGVPEMW-AWEZNQCLSA-N 1 1 293.363 2.661 50 0 CFAAMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000097032654 185155897 /nfs/dbraw/zinc/15/58/97/185155897.db2.gz CXJYTDORCUYLAV-CQSZACIVSA-N 1 1 290.338 2.672 50 0 CFAAMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000097032654 185155899 /nfs/dbraw/zinc/15/58/99/185155899.db2.gz CXJYTDORCUYLAV-CQSZACIVSA-N 1 1 290.338 2.672 50 0 CFAAMO C[N@@H+]1CCN(C(=O)[C@@H]2CC=CCC2)c2ccccc2C1 ZINC000069980173 346904663 /nfs/dbraw/zinc/90/46/63/346904663.db2.gz KPRRXSWRHUICBT-CQSZACIVSA-N 1 1 270.376 2.821 50 0 CFAAMO C[N@H+]1CCN(C(=O)[C@@H]2CC=CCC2)c2ccccc2C1 ZINC000069980173 346904665 /nfs/dbraw/zinc/90/46/65/346904665.db2.gz KPRRXSWRHUICBT-CQSZACIVSA-N 1 1 270.376 2.821 50 0 CFAAMO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)[C@@H]1CCCO1 ZINC000096491739 529584153 /nfs/dbraw/zinc/58/41/53/529584153.db2.gz LTOHEWCDCPPCSW-HOTGVXAUSA-N 1 1 268.445 2.654 50 0 CFAAMO CC(C)=CC[N@H+](C)[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000072276679 346925062 /nfs/dbraw/zinc/92/50/62/346925062.db2.gz AVZLLOSHKRONRN-HNNXBMFYSA-N 1 1 274.412 2.652 50 0 CFAAMO C[N@@H+]1CC[C@H](Nc2ncccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486706 529807004 /nfs/dbraw/zinc/80/70/04/529807004.db2.gz TZWOLQHQEQDWJJ-KBPBESRZSA-N 1 1 290.317 2.612 50 0 CFAAMO C[N@H+]1CC[C@H](Nc2ncccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486706 529807006 /nfs/dbraw/zinc/80/70/06/529807006.db2.gz TZWOLQHQEQDWJJ-KBPBESRZSA-N 1 1 290.317 2.612 50 0 CFAAMO CC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CCC[C@H]21 ZINC000075566911 347085494 /nfs/dbraw/zinc/08/54/94/347085494.db2.gz GHVDXGOQIROAKN-HUUCEWRRSA-N 1 1 258.365 2.539 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000072236002 539464209 /nfs/dbraw/zinc/46/42/09/539464209.db2.gz BWBNAHOSDQEWRC-WBMJQRKESA-N 1 1 274.339 2.737 50 0 CFAAMO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCOC(C)C ZINC000075605071 347086727 /nfs/dbraw/zinc/08/67/27/347086727.db2.gz ZLKCAAHXKHPMQC-LBPRGKRZSA-N 1 1 285.819 2.944 50 0 CFAAMO NC(=O)[C@H]1CCC[N@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000000757709 346205823 /nfs/dbraw/zinc/20/58/23/346205823.db2.gz MIXLSCIIKYNRLB-CGZBRXJRSA-N 1 1 286.419 2.910 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1C ZINC000008552897 346224640 /nfs/dbraw/zinc/22/46/40/346224640.db2.gz CGXFLSFZVZZFFI-CVEARBPZSA-N 1 1 277.408 2.918 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C)on1 ZINC000022910740 346250747 /nfs/dbraw/zinc/25/07/47/346250747.db2.gz NOGSEJJTWCQVHA-CYBMUJFWSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C)on1 ZINC000022910740 346250753 /nfs/dbraw/zinc/25/07/53/346250753.db2.gz NOGSEJJTWCQVHA-CYBMUJFWSA-N 1 1 287.363 2.750 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](CC)[C@@H]1C ZINC000095882810 347698815 /nfs/dbraw/zinc/69/88/15/347698815.db2.gz KGSIZJJFTPHZGH-CJNGLKHVSA-N 1 1 261.365 2.949 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@@H]1CC ZINC000095882805 347699207 /nfs/dbraw/zinc/69/92/07/347699207.db2.gz UOTCUJGGSUJBJM-GDBMZVCRSA-N 1 1 261.365 2.949 50 0 CFAAMO CCSCCc1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000096001572 347699753 /nfs/dbraw/zinc/69/97/53/347699753.db2.gz RNMBTGONCZGCLL-JTQLQIEISA-N 1 1 255.387 2.570 50 0 CFAAMO CCC[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000128163288 347848246 /nfs/dbraw/zinc/84/82/46/347848246.db2.gz PJGXYQPTCOZFMR-AWEZNQCLSA-N 1 1 259.353 2.564 50 0 CFAAMO CCC[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000128163288 347848250 /nfs/dbraw/zinc/84/82/50/347848250.db2.gz PJGXYQPTCOZFMR-AWEZNQCLSA-N 1 1 259.353 2.564 50 0 CFAAMO Cc1cccc2nc(CNC3CC[NH+](C(C)C)CC3)[nH]c21 ZINC000170073608 348053361 /nfs/dbraw/zinc/05/33/61/348053361.db2.gz HBSFFXYRZVNPRW-UHFFFAOYSA-N 1 1 286.423 2.834 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccccc1F ZINC000195550721 348146154 /nfs/dbraw/zinc/14/61/54/348146154.db2.gz YSOLLXPNWUDOJX-LLVKDONJSA-N 1 1 274.343 2.533 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ncc[nH]1 ZINC000225632565 348178383 /nfs/dbraw/zinc/17/83/83/348178383.db2.gz WGXKJOJWSDGHOM-CYBMUJFWSA-N 1 1 285.395 2.646 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccccc2)c1 ZINC000229487465 348202100 /nfs/dbraw/zinc/20/21/00/348202100.db2.gz GSGHZOICZLKUNR-ZWKOTPCHSA-N 1 1 299.418 2.780 50 0 CFAAMO CC(=O)c1cc(C[N@H+]2CCCC3(CCOCC3)C2)n(C)c1 ZINC000584902240 348732974 /nfs/dbraw/zinc/73/29/74/348732974.db2.gz DMFMCCTUTBFNPG-UHFFFAOYSA-N 1 1 290.407 2.620 50 0 CFAAMO CC(=O)c1cc2c(ccnc2N2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000585134714 348735598 /nfs/dbraw/zinc/73/55/98/348735598.db2.gz HIBFDHYARUQGPD-ZDUSSCGKSA-N 1 1 299.374 2.705 50 0 CFAAMO CC(=O)c1cc2c(ccnc2N2CC[N@H+]3CCCC[C@H]3C2)o1 ZINC000585134714 348735600 /nfs/dbraw/zinc/73/56/00/348735600.db2.gz HIBFDHYARUQGPD-ZDUSSCGKSA-N 1 1 299.374 2.705 50 0 CFAAMO CCSC[C@@H](C)[N@@H+](C)CCn1nc(C)cc1C ZINC000823421467 781928418 /nfs/dbraw/zinc/92/84/18/781928418.db2.gz LIHCKURLVCLPRH-CYBMUJFWSA-N 1 1 255.431 2.573 50 0 CFAAMO CCC[C@@]1(CO)CCC[N@H+](Cc2nccs2)C1 ZINC000091604012 180203525 /nfs/dbraw/zinc/20/35/25/180203525.db2.gz QGXYSNVHDLMWRI-CYBMUJFWSA-N 1 1 254.399 2.518 50 0 CFAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2nccs2)C1 ZINC000091604012 180203527 /nfs/dbraw/zinc/20/35/27/180203527.db2.gz QGXYSNVHDLMWRI-CYBMUJFWSA-N 1 1 254.399 2.518 50 0 CFAAMO Cc1cccc(C[N@H+]2CCC[C@@](CO)(CC3CC3)C2)n1 ZINC000091707436 180231159 /nfs/dbraw/zinc/23/11/59/180231159.db2.gz NFLQMNNDAUOERO-QGZVFWFLSA-N 1 1 274.408 2.765 50 0 CFAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2cncn2CC(C)C)C1 ZINC000092028706 180309740 /nfs/dbraw/zinc/30/97/40/180309740.db2.gz VSZJFYORHKCJFB-KRWDZBQOSA-N 1 1 293.455 2.914 50 0 CFAAMO c1ccc([C@H]2CCC[N@H+](CCNc3ccncn3)C2)cc1 ZINC000092098451 180324931 /nfs/dbraw/zinc/32/49/31/180324931.db2.gz SWKPZZLRKVECGD-INIZCTEOSA-N 1 1 282.391 2.768 50 0 CFAAMO CCc1ccc(C[N@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)nc1 ZINC000092062476 180316209 /nfs/dbraw/zinc/31/62/09/180316209.db2.gz CRBRIZXTHSBJRQ-DYVFJYSZSA-N 1 1 274.408 2.627 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@]1(O)C1CCOCC1 ZINC000092066874 180316597 /nfs/dbraw/zinc/31/65/97/180316597.db2.gz ZXSZGLQMMGBXKJ-CJNGLKHVSA-N 1 1 295.448 2.748 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C)c3cccnc3)C2)n1 ZINC000106783368 186135573 /nfs/dbraw/zinc/13/55/73/186135573.db2.gz IWSXWDNJFXYTTL-CJNGLKHVSA-N 1 1 299.422 2.763 50 0 CFAAMO CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000092470736 180392994 /nfs/dbraw/zinc/39/29/94/180392994.db2.gz WAGWUEPUMUCDQJ-GFCCVEGCSA-N 1 1 299.798 2.704 50 0 CFAAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000107493189 186175619 /nfs/dbraw/zinc/17/56/19/186175619.db2.gz PDSAWJSLCPKGPZ-RYUDHWBXSA-N 1 1 295.814 2.585 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)[C@H]1CO ZINC000107533002 186177447 /nfs/dbraw/zinc/17/74/47/186177447.db2.gz SMJLIBIQRQRUES-WBMJQRKESA-N 1 1 288.366 2.967 50 0 CFAAMO c1cc(C[NH2+]CCCc2c[nH]c3ccccc23)[nH]n1 ZINC000107714073 186188533 /nfs/dbraw/zinc/18/85/33/186188533.db2.gz ZUISPGXCWGXUGW-UHFFFAOYSA-N 1 1 254.337 2.613 50 0 CFAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000110641757 186309327 /nfs/dbraw/zinc/30/93/27/186309327.db2.gz DDVOAZYJRPWPPT-ZIAGYGMSSA-N 1 1 250.411 2.840 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000293006653 198493976 /nfs/dbraw/zinc/49/39/76/198493976.db2.gz DHWQJJRSWYDYQB-GFCCVEGCSA-N 1 1 257.736 2.826 50 0 CFAAMO C=CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000685940201 540021278 /nfs/dbraw/zinc/02/12/78/540021278.db2.gz XOTLHOLUVAOQIM-IUODEOHRSA-N 1 1 278.783 2.635 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CN1C ZINC000685939802 540020813 /nfs/dbraw/zinc/02/08/13/540020813.db2.gz NULNFUOUPJZLHE-BZUAXINKSA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@@H](N2CCC[C@@H](n3cnc4ccccc43)C2)C[N@@H+]1C ZINC000685939802 540020816 /nfs/dbraw/zinc/02/08/16/540020816.db2.gz NULNFUOUPJZLHE-BZUAXINKSA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@@H](N2CCC[C@@H](n3cnc4ccccc43)C2)C[N@H+]1C ZINC000685939802 540020819 /nfs/dbraw/zinc/02/08/19/540020819.db2.gz NULNFUOUPJZLHE-BZUAXINKSA-N 1 1 298.434 2.766 50 0 CFAAMO CC1(C)CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)C1 ZINC000685939790 540020924 /nfs/dbraw/zinc/02/09/24/540020924.db2.gz JNWUIPRLSBWYKX-ZIAGYGMSSA-N 1 1 264.413 2.556 50 0 CFAAMO CCCN(C(=O)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000095523788 283017741 /nfs/dbraw/zinc/01/77/41/283017741.db2.gz TXEJBAPKDCEMKG-MRXNPFEDSA-N 1 1 274.408 2.999 50 0 CFAAMO Fc1cnccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000095502446 283040012 /nfs/dbraw/zinc/04/00/12/283040012.db2.gz MCRCKMMNBAPVLA-UHFFFAOYSA-N 1 1 263.360 2.675 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000239619504 540042158 /nfs/dbraw/zinc/04/21/58/540042158.db2.gz BFCGLXHHVJDPIV-CHWSQXEVSA-N 1 1 294.468 2.893 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000239619504 540042160 /nfs/dbraw/zinc/04/21/60/540042160.db2.gz BFCGLXHHVJDPIV-CHWSQXEVSA-N 1 1 294.468 2.893 50 0 CFAAMO O=C1c2cccc3cccc(c23)N1C[NH+]1CCCC1 ZINC000008038603 540453097 /nfs/dbraw/zinc/45/30/97/540453097.db2.gz NXFAZAAJACBOHI-UHFFFAOYSA-N 1 1 252.317 2.853 50 0 CFAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cncn1C ZINC000177044199 189024221 /nfs/dbraw/zinc/02/42/21/189024221.db2.gz YSWYUFQZHFGOLZ-HNNXBMFYSA-N 1 1 271.364 2.766 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](n3cnc4ccccc43)C2)CN1C ZINC000096009219 540726463 /nfs/dbraw/zinc/72/64/63/540726463.db2.gz NULNFUOUPJZLHE-OWCLPIDISA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@@H](N2CCC[C@H](n3cnc4ccccc43)C2)C[N@@H+]1C ZINC000096009219 540726466 /nfs/dbraw/zinc/72/64/66/540726466.db2.gz NULNFUOUPJZLHE-OWCLPIDISA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@@H](N2CCC[C@H](n3cnc4ccccc43)C2)C[N@H+]1C ZINC000096009219 540726469 /nfs/dbraw/zinc/72/64/69/540726469.db2.gz NULNFUOUPJZLHE-OWCLPIDISA-N 1 1 298.434 2.766 50 0 CFAAMO Cc1c2cccc(F)c2oc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089568308 540718922 /nfs/dbraw/zinc/71/89/22/540718922.db2.gz IIKWGHCNSYWHIW-JTQLQIEISA-N 1 1 290.338 2.656 50 0 CFAAMO Cc1c2cccc(F)c2oc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089568308 540718925 /nfs/dbraw/zinc/71/89/25/540718925.db2.gz IIKWGHCNSYWHIW-JTQLQIEISA-N 1 1 290.338 2.656 50 0 CFAAMO c1c2ccccc2oc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000178530830 189124667 /nfs/dbraw/zinc/12/46/67/189124667.db2.gz RLSLTUIIJGRIEC-CQSZACIVSA-N 1 1 256.349 2.713 50 0 CFAAMO C[N@H+](Cc1cc2c(cc1Cl)OCO2)C[C@@H]1CCOC1 ZINC000670437086 540994212 /nfs/dbraw/zinc/99/42/12/540994212.db2.gz INOOPKXRXDIMPR-JTQLQIEISA-N 1 1 283.755 2.537 50 0 CFAAMO CCCOC[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000670448962 540998367 /nfs/dbraw/zinc/99/83/67/540998367.db2.gz BROLDHYRRCQITL-GFCCVEGCSA-N 1 1 285.819 2.630 50 0 CFAAMO COCC[C@H]1CCC[N@@H+](CCCn2cccc2)C1 ZINC000670449741 540998666 /nfs/dbraw/zinc/99/86/66/540998666.db2.gz WXQOZCANFBJADY-OAHLLOKOSA-N 1 1 250.386 2.627 50 0 CFAAMO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccc3nc(C)[nH]c3c2)n1 ZINC000670452757 541000395 /nfs/dbraw/zinc/00/03/95/541000395.db2.gz MLSSWLXFMVVHDS-LBPRGKRZSA-N 1 1 297.406 2.863 50 0 CFAAMO Clc1ccncc1C[NH+]1CCC(Cn2ccnc2)CC1 ZINC000670452730 541000601 /nfs/dbraw/zinc/00/06/01/541000601.db2.gz LVOSKFWOOROPQG-UHFFFAOYSA-N 1 1 290.798 2.844 50 0 CFAAMO CCCc1nc(N(C)CCC2(O)CCCC2)cc(C)[nH+]1 ZINC000670461407 541003227 /nfs/dbraw/zinc/00/32/27/541003227.db2.gz ZLQNVWNYRJUSBJ-UHFFFAOYSA-N 1 1 277.412 2.869 50 0 CFAAMO CCc1nccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000670470869 541009928 /nfs/dbraw/zinc/00/99/28/541009928.db2.gz AAPIELFPRPDZPH-MRXNPFEDSA-N 1 1 283.375 2.692 50 0 CFAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(Cc1cnccc1Cl)C2 ZINC000670471456 541010172 /nfs/dbraw/zinc/01/01/72/541010172.db2.gz QDQGQJQNHRMSTD-JSGCOSHPSA-N 1 1 279.815 2.651 50 0 CFAAMO Cc1cccc(OC2CN(c3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000670471414 541010255 /nfs/dbraw/zinc/01/02/55/541010255.db2.gz CNXVJJLZBHCIHS-UHFFFAOYSA-N 1 1 280.331 2.534 50 0 CFAAMO COc1cccc2ccc(C[N@H+](C)Cc3c[nH]nc3C)nc21 ZINC000670473765 541011712 /nfs/dbraw/zinc/01/17/12/541011712.db2.gz KWGLVWUGSNKFRH-UHFFFAOYSA-N 1 1 296.374 2.907 50 0 CFAAMO COc1cccc2ccc(C[N@@H+](C)Cc3c[nH]nc3C)nc21 ZINC000670473765 541011717 /nfs/dbraw/zinc/01/17/17/541011717.db2.gz KWGLVWUGSNKFRH-UHFFFAOYSA-N 1 1 296.374 2.907 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1ccc(N2CCCC2)nc1 ZINC000183762081 189367711 /nfs/dbraw/zinc/36/77/11/189367711.db2.gz JABQDKVZAFFLNU-UHFFFAOYSA-N 1 1 296.418 2.751 50 0 CFAAMO C[C@H](c1cnccn1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000184415546 189385710 /nfs/dbraw/zinc/38/57/10/189385710.db2.gz HZNNPPJQYVIJOM-MRXNPFEDSA-N 1 1 296.418 2.746 50 0 CFAAMO C[C@H](CNc1c(F)c(F)nc(F)c1F)[N@@H+](C)C1CC1 ZINC000225466624 189752908 /nfs/dbraw/zinc/75/29/08/189752908.db2.gz QUFLGCUUDPKAGY-ZCFIWIBFSA-N 1 1 277.265 2.533 50 0 CFAAMO c1cc2c(ncnc2N[C@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000225723962 189763201 /nfs/dbraw/zinc/76/32/01/189763201.db2.gz VPYOQVZCKRQYCW-RYUDHWBXSA-N 1 1 274.393 2.730 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]12)c1occc1-c1ccccc1 ZINC000229374135 189798346 /nfs/dbraw/zinc/79/83/46/189798346.db2.gz CIMMISOHPHCQOA-HOTGVXAUSA-N 1 1 296.370 2.913 50 0 CFAAMO Cn1c2ccccc2[nH+]c1NCc1ccc2c(c1)OCO2 ZINC000000196187 371556098 /nfs/dbraw/zinc/55/60/98/371556098.db2.gz DKISRRRHDPIJOI-UHFFFAOYSA-N 1 1 281.315 2.914 50 0 CFAAMO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CO ZINC000000212733 371559263 /nfs/dbraw/zinc/55/92/63/371559263.db2.gz LATGVFKWEFJIKK-CQSZACIVSA-N 1 1 271.360 2.805 50 0 CFAAMO Nc1nc(N2CCCCC2)cc(-c2ccccc2)[nH+]1 ZINC000000448984 371616364 /nfs/dbraw/zinc/61/63/64/371616364.db2.gz WHRIDYMUSRHKHX-UHFFFAOYSA-N 1 1 254.337 2.716 50 0 CFAAMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000000217097 371560643 /nfs/dbraw/zinc/56/06/43/371560643.db2.gz GNTOWMPKVJTUBJ-UHFFFAOYSA-N 1 1 277.314 2.959 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2)C1 ZINC000000237691 371564095 /nfs/dbraw/zinc/56/40/95/371564095.db2.gz MQGQVPXXDSPQIX-OAHLLOKOSA-N 1 1 291.391 2.860 50 0 CFAAMO Fc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000236266 371564322 /nfs/dbraw/zinc/56/43/22/371564322.db2.gz JGEKGUAOLHEKFQ-UHFFFAOYSA-N 1 1 271.339 2.543 50 0 CFAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000000314053 371586109 /nfs/dbraw/zinc/58/61/09/371586109.db2.gz UJJGVQLSQHGWHS-UHFFFAOYSA-N 1 1 266.772 2.506 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000000753251 371646652 /nfs/dbraw/zinc/64/66/52/371646652.db2.gz BIJRDJBDJMIMBS-LBPRGKRZSA-N 1 1 284.197 2.653 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000000759088 371648585 /nfs/dbraw/zinc/64/85/85/371648585.db2.gz DZYWUHVYUYHVFU-NSHDSACASA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000000759088 371648588 /nfs/dbraw/zinc/64/85/88/371648588.db2.gz DZYWUHVYUYHVFU-NSHDSACASA-N 1 1 260.164 2.950 50 0 CFAAMO c1ccc(CNCCC[NH2+]Cc2ccccc2)cc1 ZINC000001684571 371697193 /nfs/dbraw/zinc/69/71/93/371697193.db2.gz RXLUOFXICZSZIB-UHFFFAOYSA-N 1 1 254.377 2.956 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000002760529 371751304 /nfs/dbraw/zinc/75/13/04/371751304.db2.gz FTPZDKCDALVQPD-UHFFFAOYSA-N 1 1 252.333 2.886 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2F)C1 ZINC000002822920 371757139 /nfs/dbraw/zinc/75/71/39/371757139.db2.gz XBXOBEOHVSQKGU-AWEZNQCLSA-N 1 1 281.371 2.953 50 0 CFAAMO COc1ccc(C(=O)CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000002891186 371763336 /nfs/dbraw/zinc/76/33/36/371763336.db2.gz FFWKIXLFUJZJIB-CYBMUJFWSA-N 1 1 261.365 3.000 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000003003084 371768812 /nfs/dbraw/zinc/76/88/12/371768812.db2.gz DCDAFJIPLAOGCH-HNNXBMFYSA-N 1 1 263.381 2.814 50 0 CFAAMO C[N@@H+](C[C@H](O)COCc1ccccc1F)C1CCCCC1 ZINC000003179350 371778101 /nfs/dbraw/zinc/77/81/01/371778101.db2.gz BSICEDXWGRDIRH-INIZCTEOSA-N 1 1 295.398 2.968 50 0 CFAAMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000003564569 371810074 /nfs/dbraw/zinc/81/00/74/371810074.db2.gz IIFLZZMBZSASCL-JTQLQIEISA-N 1 1 268.307 2.635 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000003564569 371810079 /nfs/dbraw/zinc/81/00/79/371810079.db2.gz IIFLZZMBZSASCL-JTQLQIEISA-N 1 1 268.307 2.635 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000003893512 371824071 /nfs/dbraw/zinc/82/40/71/371824071.db2.gz CGXFLSFZVZZFFI-JKSUJKDBSA-N 1 1 277.408 2.918 50 0 CFAAMO CCOC(=O)CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000004476905 371856767 /nfs/dbraw/zinc/85/67/67/371856767.db2.gz DJXZYWZEALQOSK-CQSZACIVSA-N 1 1 262.353 2.562 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)Cc2ccc(Cl)cc2)C1 ZINC000004552872 371863909 /nfs/dbraw/zinc/86/39/09/371863909.db2.gz SLPZHFWOQAOAOR-ZDUSSCGKSA-N 1 1 267.756 2.520 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)c2cccc(Br)c2)C1 ZINC000004550380 371863941 /nfs/dbraw/zinc/86/39/41/371863941.db2.gz XIHJEHHSUCQSNW-GFCCVEGCSA-N 1 1 298.180 2.700 50 0 CFAAMO Cc1ccccc1NC(=O)OC[C@@H]1CCC[N@H+](C)C1 ZINC000004566643 371864105 /nfs/dbraw/zinc/86/41/05/371864105.db2.gz MKOBWIXMVSJNJZ-CYBMUJFWSA-N 1 1 262.353 2.885 50 0 CFAAMO CCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000004977538 371878702 /nfs/dbraw/zinc/87/87/02/371878702.db2.gz YCVGUFAOUWTELH-UHFFFAOYSA-N 1 1 297.402 2.803 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1F ZINC000012444785 371965117 /nfs/dbraw/zinc/96/51/17/371965117.db2.gz OOCMTGJVMZLXSC-GFCCVEGCSA-N 1 1 292.333 2.764 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1F ZINC000012444785 371965127 /nfs/dbraw/zinc/96/51/27/371965127.db2.gz OOCMTGJVMZLXSC-GFCCVEGCSA-N 1 1 292.333 2.764 50 0 CFAAMO O=C1OCC[C@@H]1[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000012913658 371998308 /nfs/dbraw/zinc/99/83/08/371998308.db2.gz BJEAQVWFTLIMOQ-INIZCTEOSA-N 1 1 284.359 2.663 50 0 CFAAMO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000012138971 371946055 /nfs/dbraw/zinc/94/60/55/371946055.db2.gz AXQKWRMPCYVYQL-CZUORRHYSA-N 1 1 291.391 2.503 50 0 CFAAMO COc1ccc(NC(=O)/C=C(\C)[NH+]2CCCC2)cc1 ZINC000012350142 371953338 /nfs/dbraw/zinc/95/33/38/371953338.db2.gz HKWSQDGCDBHCBD-VAWYXSNFSA-N 1 1 260.337 2.633 50 0 CFAAMO COc1cccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000013153581 372016706 /nfs/dbraw/zinc/01/67/06/372016706.db2.gz ZSGDBSFUHNUNLB-GASCZTMLSA-N 1 1 293.407 2.963 50 0 CFAAMO COc1ccccc1C(=O)O[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000013756271 372048381 /nfs/dbraw/zinc/04/83/81/372048381.db2.gz KTZCSPSWFXRDPE-YWPYICTPSA-N 1 1 277.364 2.581 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000016604925 372113411 /nfs/dbraw/zinc/11/34/11/372113411.db2.gz LVYCJNKCQWMFKM-UHFFFAOYSA-N 1 1 268.360 2.618 50 0 CFAAMO CCCCC(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000016604618 372113420 /nfs/dbraw/zinc/11/34/20/372113420.db2.gz LNUXHCZFBHPROG-UHFFFAOYSA-N 1 1 274.408 2.829 50 0 CFAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000015073866 372078666 /nfs/dbraw/zinc/07/86/66/372078666.db2.gz ICAOUMQBURKYQA-OAHLLOKOSA-N 1 1 292.810 2.831 50 0 CFAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000015073866 372078672 /nfs/dbraw/zinc/07/86/72/372078672.db2.gz ICAOUMQBURKYQA-OAHLLOKOSA-N 1 1 292.810 2.831 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047106 372097951 /nfs/dbraw/zinc/09/79/51/372097951.db2.gz UFYZJQUGCBFORI-LLVKDONJSA-N 1 1 265.328 2.924 50 0 CFAAMO C[N@H+]1CCCN(Cc2cccc(Br)c2)CC1 ZINC000019537164 372173979 /nfs/dbraw/zinc/17/39/79/372173979.db2.gz XUIRKBKKWOVRIJ-UHFFFAOYSA-N 1 1 283.213 2.587 50 0 CFAAMO Cc1cc(Cl)ccc1OCCC[NH+]1CCOCC1 ZINC000019770660 372184320 /nfs/dbraw/zinc/18/43/20/372184320.db2.gz MTOUIWMQUCNOCN-UHFFFAOYSA-N 1 1 269.772 2.750 50 0 CFAAMO CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823301 372192309 /nfs/dbraw/zinc/19/23/09/372192309.db2.gz XFKXNYYYOGBBGS-UHFFFAOYSA-N 1 1 294.398 2.940 50 0 CFAAMO ClC1=CC[C@H]2C[N@@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000022064024 372243395 /nfs/dbraw/zinc/24/33/95/372243395.db2.gz QLOKZGCVMSPXQI-STQMWFEESA-N 1 1 254.805 2.547 50 0 CFAAMO ClC1=CC[C@H]2CN(CC[NH+]3CCCC3)C[C@@H]2C1 ZINC000022064024 372243400 /nfs/dbraw/zinc/24/34/00/372243400.db2.gz QLOKZGCVMSPXQI-STQMWFEESA-N 1 1 254.805 2.547 50 0 CFAAMO C[C@H](CNCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000022032960 372244519 /nfs/dbraw/zinc/24/45/19/372244519.db2.gz NADLSYHUPNECSA-OAHLLOKOSA-N 1 1 254.377 2.955 50 0 CFAAMO C[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000023749985 372266199 /nfs/dbraw/zinc/26/61/99/372266199.db2.gz ZXVTZKXLPAXSNB-JTQLQIEISA-N 1 1 291.782 2.808 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000023749985 372266203 /nfs/dbraw/zinc/26/62/03/372266203.db2.gz ZXVTZKXLPAXSNB-JTQLQIEISA-N 1 1 291.782 2.808 50 0 CFAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000024976212 372285961 /nfs/dbraw/zinc/28/59/61/372285961.db2.gz ISZFZPAAJJUYRN-HNNXBMFYSA-N 1 1 286.400 2.752 50 0 CFAAMO C[C@H](C[NH+]1CCOCC1)Oc1ccc2ccccc2c1 ZINC000025757549 372306834 /nfs/dbraw/zinc/30/68/34/372306834.db2.gz FUXADDUUYNYVON-CQSZACIVSA-N 1 1 271.360 2.939 50 0 CFAAMO O=c1[nH]c(C[NH+]2CCCCCC2)nc2cc(Cl)ccc21 ZINC000025720492 372306966 /nfs/dbraw/zinc/30/69/66/372306966.db2.gz WCGQNRPNXOBRBV-UHFFFAOYSA-N 1 1 291.782 2.953 50 0 CFAAMO NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000026162304 372314382 /nfs/dbraw/zinc/31/43/82/372314382.db2.gz CCPKXFZSANQKJU-IRXDYDNUSA-N 1 1 280.371 2.880 50 0 CFAAMO CCOCc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000026996571 372333646 /nfs/dbraw/zinc/33/36/46/372333646.db2.gz SFRMXIJKOIXKLS-QGZVFWFLSA-N 1 1 298.386 2.539 50 0 CFAAMO CCC(CC)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000027989913 372355442 /nfs/dbraw/zinc/35/54/42/372355442.db2.gz OJZWSXKNDRWDBA-OAHLLOKOSA-N 1 1 292.423 2.850 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000028074538 372356825 /nfs/dbraw/zinc/35/68/25/372356825.db2.gz DOLYEASHNQWTHD-MRXNPFEDSA-N 1 1 299.374 2.895 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000028074538 372356831 /nfs/dbraw/zinc/35/68/31/372356831.db2.gz DOLYEASHNQWTHD-MRXNPFEDSA-N 1 1 299.374 2.895 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000029725696 372384300 /nfs/dbraw/zinc/38/43/00/372384300.db2.gz AVNRKEIEMXBCJH-LLVKDONJSA-N 1 1 258.365 2.548 50 0 CFAAMO CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000029912561 372387277 /nfs/dbraw/zinc/38/72/77/372387277.db2.gz GSNFEZVGAGEGRA-UHFFFAOYSA-N 1 1 277.755 2.561 50 0 CFAAMO CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000029912561 372387284 /nfs/dbraw/zinc/38/72/84/372387284.db2.gz GSNFEZVGAGEGRA-UHFFFAOYSA-N 1 1 277.755 2.561 50 0 CFAAMO Cc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000031337968 372408730 /nfs/dbraw/zinc/40/87/30/372408730.db2.gz MRHZJFFBAURNJI-UHFFFAOYSA-N 1 1 294.398 2.783 50 0 CFAAMO Cc1ccc2c(=O)n(CC[C@H]3CCCC[N@@H+]3C)cnc2c1C ZINC000032590437 372448184 /nfs/dbraw/zinc/44/81/84/372448184.db2.gz LCLFVXVAFCNWPS-OAHLLOKOSA-N 1 1 299.418 2.888 50 0 CFAAMO COc1cc(C[N@@H+](CCC(C)C)C[C@H](C)O)cc(OC)c1 ZINC000036095151 372555985 /nfs/dbraw/zinc/55/59/85/372555985.db2.gz NHIKEIKCIJXLED-AWEZNQCLSA-N 1 1 295.423 2.933 50 0 CFAAMO Cc1cc(C)c2c(=O)[nH]n([C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2n1 ZINC000036383737 372576383 /nfs/dbraw/zinc/57/63/83/372576383.db2.gz DNSOMCZSWHTTIF-RAIGVLPGSA-N 1 1 288.395 2.655 50 0 CFAAMO O=C1NCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000036976745 372618808 /nfs/dbraw/zinc/61/88/08/372618808.db2.gz HLAXOLSNYBSZSZ-LLVKDONJSA-N 1 1 287.190 2.752 50 0 CFAAMO COC(=O)CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042437298 372925190 /nfs/dbraw/zinc/92/51/90/372925190.db2.gz FDMCVELIZNVWEJ-UHFFFAOYSA-N 1 1 255.745 2.725 50 0 CFAAMO Cc1ccsc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046877302 373065933 /nfs/dbraw/zinc/06/59/33/373065933.db2.gz BEXBACNEQJDWQP-LLVKDONJSA-N 1 1 266.410 2.518 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(F)c2)C1 ZINC000047416338 373093451 /nfs/dbraw/zinc/09/34/51/373093451.db2.gz PEPSAVDZAZUGBO-OKILXGFUSA-N 1 1 292.398 2.924 50 0 CFAAMO c1cc2c(cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1)OCCO2 ZINC000047706669 373114109 /nfs/dbraw/zinc/11/41/09/373114109.db2.gz LVSFXYGSZSENNJ-ZFWWWQNUSA-N 1 1 289.375 2.631 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049096398 373268341 /nfs/dbraw/zinc/26/83/41/373268341.db2.gz NPSYQBOAIRFZQR-MRXNPFEDSA-N 1 1 268.360 2.664 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)c1ccccc1C(F)(F)F ZINC000049460969 373300096 /nfs/dbraw/zinc/30/00/96/373300096.db2.gz ZTNZBURICNPTRZ-UHFFFAOYSA-N 1 1 297.280 2.640 50 0 CFAAMO CCCCOC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050266829 373365861 /nfs/dbraw/zinc/36/58/61/373365861.db2.gz JVMHNAZDYYDVGV-OAHLLOKOSA-N 1 1 261.365 2.819 50 0 CFAAMO CCCCOC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050266829 373365866 /nfs/dbraw/zinc/36/58/66/373365866.db2.gz JVMHNAZDYYDVGV-OAHLLOKOSA-N 1 1 261.365 2.819 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000054226417 373506984 /nfs/dbraw/zinc/50/69/84/373506984.db2.gz QOYMBBLLOHUKCU-CJNGLKHVSA-N 1 1 272.392 2.738 50 0 CFAAMO CCCSc1ncc(CNCC[C@@H]2CCC[N@H+]2C)cn1 ZINC000055153014 373544274 /nfs/dbraw/zinc/54/42/74/373544274.db2.gz OYFZRRUBFMSANE-AWEZNQCLSA-N 1 1 294.468 2.553 50 0 CFAAMO CCC[N@H+](CCO)C/C(Cl)=C/c1ccccc1 ZINC000055292222 373546638 /nfs/dbraw/zinc/54/66/38/373546638.db2.gz LJULLFPIKVTYIM-KAMYIIQDSA-N 1 1 253.773 2.971 50 0 CFAAMO CCC[N@@H+](CCO)C/C(Cl)=C/c1ccccc1 ZINC000055292222 373546643 /nfs/dbraw/zinc/54/66/43/373546643.db2.gz LJULLFPIKVTYIM-KAMYIIQDSA-N 1 1 253.773 2.971 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCCCC1 ZINC000055506063 373556366 /nfs/dbraw/zinc/55/63/66/373556366.db2.gz WPYMWIUUFRENQV-MRXNPFEDSA-N 1 1 290.382 2.975 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCCCC1 ZINC000055506063 373556370 /nfs/dbraw/zinc/55/63/70/373556370.db2.gz WPYMWIUUFRENQV-MRXNPFEDSA-N 1 1 290.382 2.975 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccnc2)cc1F ZINC000056102722 373561116 /nfs/dbraw/zinc/56/11/16/373561116.db2.gz XTUQZENHFRWPNM-UHFFFAOYSA-N 1 1 296.305 2.967 50 0 CFAAMO CC(C)([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000058191695 373631325 /nfs/dbraw/zinc/63/13/25/373631325.db2.gz YRUVVYVLKZXHPB-UHFFFAOYSA-N 1 1 293.374 2.687 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000058203331 373631677 /nfs/dbraw/zinc/63/16/77/373631677.db2.gz QOROFIVXARLZRG-LLVKDONJSA-N 1 1 297.349 2.817 50 0 CFAAMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000058356505 373647910 /nfs/dbraw/zinc/64/79/10/373647910.db2.gz GMCPRSHTAZHKDH-GFCCVEGCSA-N 1 1 279.359 2.679 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000058356506 373648436 /nfs/dbraw/zinc/64/84/36/373648436.db2.gz GMCPRSHTAZHKDH-LBPRGKRZSA-N 1 1 279.359 2.679 50 0 CFAAMO CC(C)CNC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000060168237 373688307 /nfs/dbraw/zinc/68/83/07/373688307.db2.gz AEJXVRDJCWOAQM-QGZVFWFLSA-N 1 1 286.419 2.911 50 0 CFAAMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000062161021 373754326 /nfs/dbraw/zinc/75/43/26/373754326.db2.gz DKMHZZBONYSPOO-HNNXBMFYSA-N 1 1 290.407 2.600 50 0 CFAAMO CC[N@@H+](CCc1ccncc1)C[C@@H](O)c1ccc(C)cc1 ZINC000062349840 373759344 /nfs/dbraw/zinc/75/93/44/373759344.db2.gz RVYAHYDQIZOPBB-GOSISDBHSA-N 1 1 284.403 2.988 50 0 CFAAMO Cc1noc(C)c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000063550016 373809444 /nfs/dbraw/zinc/80/94/44/373809444.db2.gz QBYKLFNQMFBRBI-UHFFFAOYSA-N 1 1 288.347 2.743 50 0 CFAAMO Cc1cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)on1 ZINC000064556229 373830527 /nfs/dbraw/zinc/83/05/27/373830527.db2.gz JNHWKRQFYDPBQH-UHFFFAOYSA-N 1 1 271.364 2.614 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)nc(-c2cccnc2)n1 ZINC000065507449 373880056 /nfs/dbraw/zinc/88/00/56/373880056.db2.gz GJJYKZJVWNBSQH-OAHLLOKOSA-N 1 1 297.406 2.743 50 0 CFAAMO CCOc1cccc(-c2noc(Cn3cc[nH+]c3CC)n2)c1 ZINC000065224652 373851239 /nfs/dbraw/zinc/85/12/39/373851239.db2.gz AUNSJNFFUJXAPI-UHFFFAOYSA-N 1 1 298.346 2.943 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000065286727 373852717 /nfs/dbraw/zinc/85/27/17/373852717.db2.gz XXADNADAXORJRI-CYBMUJFWSA-N 1 1 286.379 2.963 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)o1 ZINC000065286727 373852723 /nfs/dbraw/zinc/85/27/23/373852723.db2.gz XXADNADAXORJRI-CYBMUJFWSA-N 1 1 286.379 2.963 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)o1 ZINC000065286727 373852728 /nfs/dbraw/zinc/85/27/28/373852728.db2.gz XXADNADAXORJRI-CYBMUJFWSA-N 1 1 286.379 2.963 50 0 CFAAMO CCn1cc(C[N@@H+](C)Cc2ccccc2)ccc1=O ZINC000065285960 373853786 /nfs/dbraw/zinc/85/37/86/373853786.db2.gz ZCJVNAWSDOKFEB-UHFFFAOYSA-N 1 1 256.349 2.500 50 0 CFAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2ccc(CO)o2)c1 ZINC000065387970 373864596 /nfs/dbraw/zinc/86/45/96/373864596.db2.gz TWKXUSPBLHFVDD-LBPRGKRZSA-N 1 1 275.348 2.974 50 0 CFAAMO CCC[C@@H]1COCC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000065404619 373866581 /nfs/dbraw/zinc/86/65/81/373866581.db2.gz BPAHRVLKKRDJSG-MRXNPFEDSA-N 1 1 276.380 2.646 50 0 CFAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000065407433 373869000 /nfs/dbraw/zinc/86/90/00/373869000.db2.gz VUEDGOHIRMZSID-INIZCTEOSA-N 1 1 260.381 2.567 50 0 CFAAMO C[C@@H](CC1=CCC[N@@H+](C)C1)NC(=O)c1ccnc(Cl)c1 ZINC000067714796 373997401 /nfs/dbraw/zinc/99/74/01/373997401.db2.gz CQIXLMKHATUZPS-NSHDSACASA-N 1 1 293.798 2.505 50 0 CFAAMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1[nH]cnc1C ZINC000067726878 373997414 /nfs/dbraw/zinc/99/74/14/373997414.db2.gz FQSNEFLDOOAAIK-GFCCVEGCSA-N 1 1 259.353 2.920 50 0 CFAAMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1[nH]cnc1C ZINC000067726878 373997419 /nfs/dbraw/zinc/99/74/19/373997419.db2.gz FQSNEFLDOOAAIK-GFCCVEGCSA-N 1 1 259.353 2.920 50 0 CFAAMO Cc1nc(C(C)C)sc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067804340 374004712 /nfs/dbraw/zinc/00/47/12/374004712.db2.gz RHLKNFBLBQJGDU-LBPRGKRZSA-N 1 1 295.452 2.647 50 0 CFAAMO CCc1[nH+]ccn1CCCn1cc([C@H]2CC=CCC2)nn1 ZINC000067847392 374009786 /nfs/dbraw/zinc/00/97/86/374009786.db2.gz SAEUNFLWXZEHFR-AWEZNQCLSA-N 1 1 285.395 2.951 50 0 CFAAMO CCCN(CC1=CCC[N@@H+](C)C1)C(=O)C1CCCC1 ZINC000067641688 373987627 /nfs/dbraw/zinc/98/76/27/373987627.db2.gz GRURROPEXHKOPZ-UHFFFAOYSA-N 1 1 264.413 2.677 50 0 CFAAMO C=Cc1cccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000067674203 373989447 /nfs/dbraw/zinc/98/94/47/373989447.db2.gz FVCHJIWWQZZSMQ-QGZVFWFLSA-N 1 1 256.393 2.905 50 0 CFAAMO [NH3+]C[C@@H]1Cc2c(c(-c3ccc4nc[nH]c4c3)ccc2F)O1 ZINC000067673147 373990206 /nfs/dbraw/zinc/99/02/06/373990206.db2.gz HDKAXSJTPFPWKE-JTQLQIEISA-N 1 1 283.306 2.631 50 0 CFAAMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)NC(C)(C)C ZINC000069617083 374078163 /nfs/dbraw/zinc/07/81/63/374078163.db2.gz GSBHRIAIKOTFJX-NXEZZACHSA-N 1 1 284.350 2.919 50 0 CFAAMO CC[N@H+](Cc1ccccc1C)[C@@H](C)CS(=O)(=O)CC ZINC000069656384 374083285 /nfs/dbraw/zinc/08/32/85/374083285.db2.gz SRHBDYPCLWAMAQ-AWEZNQCLSA-N 1 1 283.437 2.640 50 0 CFAAMO CC[N@@H+](Cc1ccccc1C)[C@@H](C)CS(=O)(=O)CC ZINC000069656384 374083289 /nfs/dbraw/zinc/08/32/89/374083289.db2.gz SRHBDYPCLWAMAQ-AWEZNQCLSA-N 1 1 283.437 2.640 50 0 CFAAMO C[NH+]1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000069131625 374049577 /nfs/dbraw/zinc/04/95/77/374049577.db2.gz ZUHLYWORUVQMNY-UHFFFAOYSA-N 1 1 294.398 2.670 50 0 CFAAMO O[C@@H](CN1CCC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000069326670 374053568 /nfs/dbraw/zinc/05/35/68/374053568.db2.gz PCVVMXQGOFVSSV-CVEARBPZSA-N 1 1 294.826 2.544 50 0 CFAAMO CCc1cc2c(C[N@H+](C)CC)cc(=O)oc2cc1O ZINC000069417598 374062095 /nfs/dbraw/zinc/06/20/95/374062095.db2.gz ZZAHXRFVPTYPBL-UHFFFAOYSA-N 1 1 261.321 2.513 50 0 CFAAMO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069654894 374082808 /nfs/dbraw/zinc/08/28/08/374082808.db2.gz RJOTVPACHXASPL-RDJZCZTQSA-N 1 1 286.419 2.877 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccccc21 ZINC000069508180 374069578 /nfs/dbraw/zinc/06/95/78/374069578.db2.gz IWAAEBDXSPBRLY-KURKYZTESA-N 1 1 298.430 2.802 50 0 CFAAMO CC(C)CCc1noc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)n1 ZINC000069779492 374095660 /nfs/dbraw/zinc/09/56/60/374095660.db2.gz IJONRLAGXQETTO-STQMWFEESA-N 1 1 291.399 2.594 50 0 CFAAMO C[N@H+](CCc1cccs1)CC(=O)Nc1ccccc1 ZINC000069847647 374105765 /nfs/dbraw/zinc/10/57/65/374105765.db2.gz YBSDPTLMMXXTFC-UHFFFAOYSA-N 1 1 274.389 2.861 50 0 CFAAMO C[N@@H+](CCc1cccs1)CC(=O)Nc1ccccc1 ZINC000069847647 374105772 /nfs/dbraw/zinc/10/57/72/374105772.db2.gz YBSDPTLMMXXTFC-UHFFFAOYSA-N 1 1 274.389 2.861 50 0 CFAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2nc3ccccc3o2)c1 ZINC000069893068 374106773 /nfs/dbraw/zinc/10/67/73/374106773.db2.gz IPNNAFAOAVKXKE-CYBMUJFWSA-N 1 1 282.347 2.689 50 0 CFAAMO c1cn(CCSc2c[nH]nn2)c(C2CCCCC2)[nH+]1 ZINC000071748379 374218809 /nfs/dbraw/zinc/21/88/09/374218809.db2.gz ULDCLPQUTCOYLO-UHFFFAOYSA-N 1 1 277.397 2.841 50 0 CFAAMO CC[C@](OC(C)=O)(c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000071772244 374223261 /nfs/dbraw/zinc/22/32/61/374223261.db2.gz JGSQNSNIRULOTK-CVEARBPZSA-N 1 1 261.365 2.807 50 0 CFAAMO Cc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1 ZINC000071796169 374225216 /nfs/dbraw/zinc/22/52/16/374225216.db2.gz HBHRLMDBJBGOQH-MRXNPFEDSA-N 1 1 282.347 2.711 50 0 CFAAMO c1nc(CN2CCC[N@H+](CCCc3ccccc3)CC2)c[nH]1 ZINC000072481591 374255905 /nfs/dbraw/zinc/25/59/05/374255905.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 1 1 298.434 2.550 50 0 CFAAMO c1ncc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000072481591 374255912 /nfs/dbraw/zinc/25/59/12/374255912.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 1 1 298.434 2.550 50 0 CFAAMO c1ncc(CN2CCC[N@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000072481591 374255920 /nfs/dbraw/zinc/25/59/20/374255920.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 1 1 298.434 2.550 50 0 CFAAMO CC(=O)N1CCC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000072558452 374264532 /nfs/dbraw/zinc/26/45/32/374264532.db2.gz OBMMAAOWYUXASP-AWEZNQCLSA-N 1 1 260.381 2.610 50 0 CFAAMO CC[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000074798402 374438025 /nfs/dbraw/zinc/43/80/25/374438025.db2.gz AFNFSUOLXPKCRW-ZBFHGGJFSA-N 1 1 295.448 2.547 50 0 CFAAMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)o1 ZINC000075137038 374461231 /nfs/dbraw/zinc/46/12/31/374461231.db2.gz YBIJCDVXXJDOTN-NSHDSACASA-N 1 1 289.331 2.965 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)o1 ZINC000075137038 374461237 /nfs/dbraw/zinc/46/12/37/374461237.db2.gz YBIJCDVXXJDOTN-NSHDSACASA-N 1 1 289.331 2.965 50 0 CFAAMO Cc1cccc(NCCNC(=O)Nc2ccccc2F)[nH+]1 ZINC000075613013 374495583 /nfs/dbraw/zinc/49/55/83/374495583.db2.gz NNFCFTZJVSJRCP-UHFFFAOYSA-N 1 1 288.326 2.763 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](CCc3ccccn3)C2)[nH]n1 ZINC000078901224 374573889 /nfs/dbraw/zinc/57/38/89/374573889.db2.gz CIKQVGXGROEFQS-AWEZNQCLSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](CCc3ccccn3)C2)n[nH]1 ZINC000078901224 374573897 /nfs/dbraw/zinc/57/38/97/374573897.db2.gz CIKQVGXGROEFQS-AWEZNQCLSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](CCc3ccccn3)C2)n[nH]1 ZINC000078901224 374573904 /nfs/dbraw/zinc/57/39/04/374573904.db2.gz CIKQVGXGROEFQS-AWEZNQCLSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1cccc([C@H](C)[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000078950273 374577567 /nfs/dbraw/zinc/57/75/67/374577567.db2.gz MCELIRJKBGHNNR-DLBZAZTESA-N 1 1 288.435 2.710 50 0 CFAAMO OCCCCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000079100114 374594366 /nfs/dbraw/zinc/59/43/66/374594366.db2.gz KPAQVBHNGKHGHO-HNNXBMFYSA-N 1 1 263.381 2.692 50 0 CFAAMO C[C@@H]1C[C@@H](NCc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338431 374650165 /nfs/dbraw/zinc/65/01/65/374650165.db2.gz YNSJKKNVCACIEU-ZBFHGGJFSA-N 1 1 284.407 2.552 50 0 CFAAMO CN(C)c1cc[nH+]c(NCCc2cccc(Cl)c2)n1 ZINC000083855382 374757478 /nfs/dbraw/zinc/75/74/78/374757478.db2.gz JDQOJYFFFCCMLE-UHFFFAOYSA-N 1 1 276.771 2.851 50 0 CFAAMO Cc1[nH+]cn(CC(=O)N2CCSc3ccccc32)c1C ZINC000089547589 374921553 /nfs/dbraw/zinc/92/15/53/374921553.db2.gz LWZKNXFYUWMFKF-UHFFFAOYSA-N 1 1 287.388 2.639 50 0 CFAAMO C[NH+]1CCN(CCCSCc2ccccc2)CC1 ZINC000090512482 375018220 /nfs/dbraw/zinc/01/82/20/375018220.db2.gz RNRYUHJRPGNLIA-UHFFFAOYSA-N 1 1 264.438 2.557 50 0 CFAAMO C[N@@H+](C[C@H](O)c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000089938674 374973158 /nfs/dbraw/zinc/97/31/58/374973158.db2.gz HULHJXZUEGRJGY-OLZOCXBDSA-N 1 1 271.813 2.811 50 0 CFAAMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C)s3)[C@H]2C1 ZINC000092095803 375088024 /nfs/dbraw/zinc/08/80/24/375088024.db2.gz UPRGKQRNXGHMTE-VHDGCEQUSA-N 1 1 281.421 2.825 50 0 CFAAMO CN(CCSc1ccccc1)C[C@H]1CCC[N@H+]1C ZINC000092664661 375136574 /nfs/dbraw/zinc/13/65/74/375136574.db2.gz LVSTWUUEAQEPJT-CQSZACIVSA-N 1 1 264.438 2.805 50 0 CFAAMO CN1CCC[C@@H]1C[N@H+](C)CCSc1ccccc1 ZINC000092664661 375136581 /nfs/dbraw/zinc/13/65/81/375136581.db2.gz LVSTWUUEAQEPJT-CQSZACIVSA-N 1 1 264.438 2.805 50 0 CFAAMO CN1CCC[C@@H]1C[N@@H+](C)CCSc1ccccc1 ZINC000092664661 375136588 /nfs/dbraw/zinc/13/65/88/375136588.db2.gz LVSTWUUEAQEPJT-CQSZACIVSA-N 1 1 264.438 2.805 50 0 CFAAMO COc1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000092810949 375158730 /nfs/dbraw/zinc/15/87/30/375158730.db2.gz KXCVEMOYOYQGDY-UHFFFAOYSA-N 1 1 271.364 2.798 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccc([S@](C)=O)cc2)C[C@H](C)S1 ZINC000092541290 375121720 /nfs/dbraw/zinc/12/17/20/375121720.db2.gz UOWZZLSSSRINAO-FTLABTOESA-N 1 1 283.462 2.750 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccc([S@](C)=O)cc2)C[C@H](C)S1 ZINC000092541290 375121723 /nfs/dbraw/zinc/12/17/23/375121723.db2.gz UOWZZLSSSRINAO-FTLABTOESA-N 1 1 283.462 2.750 50 0 CFAAMO COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1F ZINC000093315040 375208393 /nfs/dbraw/zinc/20/83/93/375208393.db2.gz CYIJOJMIVXZUEH-UHFFFAOYSA-N 1 1 267.344 2.693 50 0 CFAAMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000093808613 375313394 /nfs/dbraw/zinc/31/33/94/375313394.db2.gz WTRZBDRNCZPEEV-LBPRGKRZSA-N 1 1 288.416 2.989 50 0 CFAAMO COCc1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000093510045 375260107 /nfs/dbraw/zinc/26/01/07/375260107.db2.gz NJPJZUTWCRNILH-UHFFFAOYSA-N 1 1 261.365 2.588 50 0 CFAAMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611040 375273589 /nfs/dbraw/zinc/27/35/89/375273589.db2.gz PMYFAPUPXBFQFA-ZIAGYGMSSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611040 375273592 /nfs/dbraw/zinc/27/35/92/375273592.db2.gz PMYFAPUPXBFQFA-ZIAGYGMSSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611040 375273594 /nfs/dbraw/zinc/27/35/94/375273594.db2.gz PMYFAPUPXBFQFA-ZIAGYGMSSA-N 1 1 263.385 2.579 50 0 CFAAMO Cc1ccc(CCCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000095458092 375456502 /nfs/dbraw/zinc/45/65/02/375456502.db2.gz JYUPEARTTUDPCL-HOTGVXAUSA-N 1 1 288.435 2.869 50 0 CFAAMO COc1ccc([C@H]2CCCN2c2cc[nH+]cc2C(N)=O)cc1 ZINC000095467675 375457719 /nfs/dbraw/zinc/45/77/19/375457719.db2.gz DEFXNSGPGLQCKZ-OAHLLOKOSA-N 1 1 297.358 2.531 50 0 CFAAMO Cc1cnn(-c2ccc(N[C@H]3C[N@H+](C)C[C@@H]3C)cc2F)c1 ZINC000095971961 375465458 /nfs/dbraw/zinc/46/54/58/375465458.db2.gz FGGABPFQXWWFAE-WFASDCNBSA-N 1 1 288.370 2.682 50 0 CFAAMO FC(F)n1ccnc1CCNc1[nH]c2ccccc2[nH+]1 ZINC000095447146 375452038 /nfs/dbraw/zinc/45/20/38/375452038.db2.gz YECYWQHPCXJFIP-UHFFFAOYSA-N 1 1 277.278 2.809 50 0 CFAAMO COC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000097148074 375531954 /nfs/dbraw/zinc/53/19/54/375531954.db2.gz WRLCGEFUOINNKD-HOCLYGCPSA-N 1 1 291.391 2.568 50 0 CFAAMO COc1cc(OC)cc([C@@H](O)CNc2cccc(C)[nH+]2)c1 ZINC000097163312 375535463 /nfs/dbraw/zinc/53/54/63/375535463.db2.gz HTBOQRASTXQNTP-HNNXBMFYSA-N 1 1 288.347 2.553 50 0 CFAAMO Cc1cccc(NC[C@H]2CC[N@H+](CCOC(C)C)C2)n1 ZINC000097200892 375539377 /nfs/dbraw/zinc/53/93/77/375539377.db2.gz AHGPMLSFFXCMBG-OAHLLOKOSA-N 1 1 277.412 2.549 50 0 CFAAMO CN(C)Cc1ccc(C[NH2+][C@@H]2CCCSC2)cc1F ZINC000097084664 375511717 /nfs/dbraw/zinc/51/17/17/375511717.db2.gz GWPNRFVHWXOCKK-CQSZACIVSA-N 1 1 282.428 2.873 50 0 CFAAMO c1cc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)cs1 ZINC000097085358 375512254 /nfs/dbraw/zinc/51/22/54/375512254.db2.gz PEIIJEMBSRMAEA-VIFPVBQESA-N 1 1 272.333 2.725 50 0 CFAAMO CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)(C)CO ZINC000097096443 375516762 /nfs/dbraw/zinc/51/67/62/375516762.db2.gz PAJNUROQLUTZGO-UHFFFAOYSA-N 1 1 298.814 2.680 50 0 CFAAMO Cc1cnc([C@H](C)NCC[NH+]2CCCCC2)s1 ZINC000097112405 375523155 /nfs/dbraw/zinc/52/31/55/375523155.db2.gz XXUOOEAQEJIYSP-LBPRGKRZSA-N 1 1 253.415 2.588 50 0 CFAAMO CC(C)N1CCC([NH2+]CCSC(C)(C)C)CC1 ZINC000097238374 375545045 /nfs/dbraw/zinc/54/50/45/375545045.db2.gz AMGXCQKTCUPUMJ-UHFFFAOYSA-N 1 1 258.475 2.981 50 0 CFAAMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139126 375527186 /nfs/dbraw/zinc/52/71/86/375527186.db2.gz RSAMZGGDQUVMAY-OCCSQVGLSA-N 1 1 277.364 2.742 50 0 CFAAMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139126 375527192 /nfs/dbraw/zinc/52/71/92/375527192.db2.gz RSAMZGGDQUVMAY-OCCSQVGLSA-N 1 1 277.364 2.742 50 0 CFAAMO CC1([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)OCCO1 ZINC000097373169 375552669 /nfs/dbraw/zinc/55/26/69/375552669.db2.gz BCQDNJLOBBPYJF-CYBMUJFWSA-N 1 1 267.394 2.723 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000097375013 375553576 /nfs/dbraw/zinc/55/35/76/375553576.db2.gz AXSNQRQECGMBPF-ZDUSSCGKSA-N 1 1 293.388 2.540 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCc1ccccc1F ZINC000097594847 375569925 /nfs/dbraw/zinc/56/99/25/375569925.db2.gz ZKXHKPWORVVVHG-INIZCTEOSA-N 1 1 292.398 2.749 50 0 CFAAMO c1cc(C[NH+]2CCOCC2)cc(-c2cc(C3CC3)ncn2)c1 ZINC000097759412 375584387 /nfs/dbraw/zinc/58/43/87/375584387.db2.gz VHJJKEDMFRZFDE-UHFFFAOYSA-N 1 1 295.386 2.853 50 0 CFAAMO [NH3+][C@@H]1c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000100236603 375616582 /nfs/dbraw/zinc/61/65/82/375616582.db2.gz KZEMDGMUGFAPOZ-CQSZACIVSA-N 1 1 272.735 2.887 50 0 CFAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c[nH]1 ZINC000257284139 190025925 /nfs/dbraw/zinc/02/59/25/190025925.db2.gz PBJDOOSYFVIZIG-AWEZNQCLSA-N 1 1 299.422 2.922 50 0 CFAAMO CCCCc1nc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c[nH]1 ZINC000257284139 190025926 /nfs/dbraw/zinc/02/59/26/190025926.db2.gz PBJDOOSYFVIZIG-AWEZNQCLSA-N 1 1 299.422 2.922 50 0 CFAAMO Clc1ccccc1O[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000133354098 377924203 /nfs/dbraw/zinc/92/42/03/377924203.db2.gz AXCXPXQKNDJFDP-ZDUSSCGKSA-N 1 1 291.782 2.690 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000159113220 378687414 /nfs/dbraw/zinc/68/74/14/378687414.db2.gz IADVHHXKSBNJJG-LBPRGKRZSA-N 1 1 290.338 2.828 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000159113220 378687430 /nfs/dbraw/zinc/68/74/30/378687430.db2.gz IADVHHXKSBNJJG-LBPRGKRZSA-N 1 1 290.338 2.828 50 0 CFAAMO Cc1cccc(OCCc2noc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000169676519 379108136 /nfs/dbraw/zinc/10/81/36/379108136.db2.gz GHLWYWYXBMOBKM-CQSZACIVSA-N 1 1 287.363 2.814 50 0 CFAAMO C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccccc1F ZINC000049587066 412947905 /nfs/dbraw/zinc/94/79/05/412947905.db2.gz ZEBNLQPPBSWKJN-LBPRGKRZSA-N 1 1 290.338 2.728 50 0 CFAAMO CCOC(=O)c1csc(C[N@H+](C)C[C@@H](C)CC)n1 ZINC000292790385 381836808 /nfs/dbraw/zinc/83/68/08/381836808.db2.gz ZSFSVNIOYCKVMA-JTQLQIEISA-N 1 1 270.398 2.798 50 0 CFAAMO CCOC(=O)c1csc(C[N@@H+](C)C[C@@H](C)CC)n1 ZINC000292790385 381836816 /nfs/dbraw/zinc/83/68/16/381836816.db2.gz ZSFSVNIOYCKVMA-JTQLQIEISA-N 1 1 270.398 2.798 50 0 CFAAMO Cc1ccccc1C[N@@H+](CCn1cccn1)C[C@@H]1CCCO1 ZINC000299766936 382043360 /nfs/dbraw/zinc/04/33/60/382043360.db2.gz DXMOXOPJPNBYDP-SFHVURJKSA-N 1 1 299.418 2.873 50 0 CFAAMO CO[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000300102160 382057187 /nfs/dbraw/zinc/05/71/87/382057187.db2.gz XLYFUFJTWUWSCW-CQSZACIVSA-N 1 1 265.328 2.509 50 0 CFAAMO COc1ccc2[nH]c(SC[C@H]3CC[N@@H+](C)C3)nc2c1 ZINC000187651571 382236654 /nfs/dbraw/zinc/23/66/54/382236654.db2.gz DPFJSAMGAKPTIQ-JTQLQIEISA-N 1 1 277.393 2.615 50 0 CFAAMO COc1ccc2nc(SC[C@H]3CC[N@H+](C)C3)[nH]c2c1 ZINC000187651571 382236661 /nfs/dbraw/zinc/23/66/61/382236661.db2.gz DPFJSAMGAKPTIQ-JTQLQIEISA-N 1 1 277.393 2.615 50 0 CFAAMO COc1ccc2nc(SC[C@H]3CC[N@@H+](C)C3)[nH]c2c1 ZINC000187651571 382236667 /nfs/dbraw/zinc/23/66/67/382236667.db2.gz DPFJSAMGAKPTIQ-JTQLQIEISA-N 1 1 277.393 2.615 50 0 CFAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](O)CC1 ZINC000294086941 382409775 /nfs/dbraw/zinc/40/97/75/382409775.db2.gz RGZFMWSJDRSKSC-NFBGWVBBSA-N 1 1 261.365 2.555 50 0 CFAAMO FC(F)C(F)(F)COCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000188781304 382475670 /nfs/dbraw/zinc/47/56/70/382475670.db2.gz BHLDTCQWVUTMIX-GHMZBOCLSA-N 1 1 299.308 2.547 50 0 CFAAMO FC(F)C(F)(F)COCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000188781304 382475673 /nfs/dbraw/zinc/47/56/73/382475673.db2.gz BHLDTCQWVUTMIX-GHMZBOCLSA-N 1 1 299.308 2.547 50 0 CFAAMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)nn1 ZINC000328589562 382550420 /nfs/dbraw/zinc/55/04/20/382550420.db2.gz DUDYNCJXHBBTDL-HNNXBMFYSA-N 1 1 284.363 2.526 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)nn1 ZINC000328589562 382550422 /nfs/dbraw/zinc/55/04/22/382550422.db2.gz DUDYNCJXHBBTDL-HNNXBMFYSA-N 1 1 284.363 2.526 50 0 CFAAMO CSC1(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000367382207 382567975 /nfs/dbraw/zinc/56/79/75/382567975.db2.gz QWQLWVXEAULQDG-HNNXBMFYSA-N 1 1 276.449 2.871 50 0 CFAAMO Cn1ccnc1CSCC[N@@H+](C)Cc1ccccc1 ZINC000193626296 382721642 /nfs/dbraw/zinc/72/16/42/382721642.db2.gz JEXGOUPFICEOAD-UHFFFAOYSA-N 1 1 275.421 2.785 50 0 CFAAMO C[N@@H+](CCn1cccn1)[C@@H]1CCCc2ccccc21 ZINC000193902733 382728847 /nfs/dbraw/zinc/72/88/47/382728847.db2.gz CPWBMICLURWWML-MRXNPFEDSA-N 1 1 255.365 2.893 50 0 CFAAMO O[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000215012275 382777427 /nfs/dbraw/zinc/77/74/27/382777427.db2.gz APYKDENPJIYBQY-CQSZACIVSA-N 1 1 261.365 2.575 50 0 CFAAMO Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1cccc2nonc21 ZINC000215224045 382778180 /nfs/dbraw/zinc/77/81/80/382778180.db2.gz SMWNDMDSQMAZOT-ZDUSSCGKSA-N 1 1 296.374 2.989 50 0 CFAAMO CCc1nnc(C[N@@H+](CC)C[C@H]2CCOC(C)(C)C2)o1 ZINC000216011585 382781728 /nfs/dbraw/zinc/78/17/28/382781728.db2.gz FCCWPAFDJOQUPW-LBPRGKRZSA-N 1 1 281.400 2.659 50 0 CFAAMO COCC1([N@@H+](C)Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000216107094 382782154 /nfs/dbraw/zinc/78/21/54/382782154.db2.gz OQTWMQVHKVFYSZ-UHFFFAOYSA-N 1 1 289.354 2.622 50 0 CFAAMO COCC1([N@@H+](C)Cc2ccccc2Cn2cccn2)CC1 ZINC000216111914 382782187 /nfs/dbraw/zinc/78/21/87/382782187.db2.gz HLMXPUCRSMYPNJ-UHFFFAOYSA-N 1 1 285.391 2.542 50 0 CFAAMO OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1F ZINC000216156287 382782289 /nfs/dbraw/zinc/78/22/89/382782289.db2.gz XOQWDJHOFZRZTE-NSHDSACASA-N 1 1 273.298 2.841 50 0 CFAAMO OC[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1F ZINC000216156287 382782290 /nfs/dbraw/zinc/78/22/90/382782290.db2.gz XOQWDJHOFZRZTE-NSHDSACASA-N 1 1 273.298 2.841 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)c2ccsc2)n1C1CCC1 ZINC000575316727 382758149 /nfs/dbraw/zinc/75/81/49/382758149.db2.gz XMLOWECKYJHMOU-UHFFFAOYSA-N 1 1 289.404 2.951 50 0 CFAAMO CCCn1c(C)cnc1[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000575316589 382758223 /nfs/dbraw/zinc/75/82/23/382758223.db2.gz QLLJLZXLRZVZMD-INIZCTEOSA-N 1 1 284.407 2.986 50 0 CFAAMO C[C@H](C[N@@H+](C)Cc1cccc(C(=O)[O-])c1)C[NH+]1CCCC1 ZINC000219308395 382793298 /nfs/dbraw/zinc/79/32/98/382793298.db2.gz PGXRQANREHUEJZ-CQSZACIVSA-N 1 1 290.407 2.549 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000229104820 382850512 /nfs/dbraw/zinc/85/05/12/382850512.db2.gz LHIIWSZSBBRDDG-CHWSQXEVSA-N 1 1 269.410 2.500 50 0 CFAAMO C[C@@H](CNc1c(F)c(F)nc(F)c1F)[N@@H+](C)C1CC1 ZINC000225466654 382816611 /nfs/dbraw/zinc/81/66/11/382816611.db2.gz QUFLGCUUDPKAGY-LURJTMIESA-N 1 1 277.265 2.533 50 0 CFAAMO CSc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000225494910 382817209 /nfs/dbraw/zinc/81/72/09/382817209.db2.gz CCWZZFNCHWTIDA-OCCSQVGLSA-N 1 1 290.432 2.575 50 0 CFAAMO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)CCO)o1 ZINC000225532629 382817486 /nfs/dbraw/zinc/81/74/86/382817486.db2.gz LKIDZYWMCYSDJE-UHFFFAOYSA-N 1 1 263.312 2.818 50 0 CFAAMO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000225516169 382817597 /nfs/dbraw/zinc/81/75/97/382817597.db2.gz QFVUVBKRHQVZGU-KSZLIROESA-N 1 1 293.499 2.594 50 0 CFAAMO Fc1ccc(CNc2[nH+]cccc2N2CCOCC2)cc1 ZINC000225609819 382818904 /nfs/dbraw/zinc/81/89/04/382818904.db2.gz ZJJBRGBJYPDMKP-UHFFFAOYSA-N 1 1 287.338 2.669 50 0 CFAAMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CC1CC1)CC2 ZINC000230140014 382856059 /nfs/dbraw/zinc/85/60/59/382856059.db2.gz AKUJRRWQNRCOKQ-IMJJTQAJSA-N 1 1 293.455 2.832 50 0 CFAAMO CCc1ccc(C[NH+]2CC(c3ccccn3)C2)nc1 ZINC000240825126 382982533 /nfs/dbraw/zinc/98/25/33/382982533.db2.gz QNAMNZQCMFPOBT-UHFFFAOYSA-N 1 1 253.349 2.638 50 0 CFAAMO C[C@H]1C[N@H+](CCSCc2ccccc2)CC[S@@](=O)C1 ZINC000241121831 382982681 /nfs/dbraw/zinc/98/26/81/382982681.db2.gz JEELDIIOOVRKBY-IFXJQAMLSA-N 1 1 297.489 2.620 50 0 CFAAMO C[C@H]1C[N@@H+](CCSCc2ccccc2)CC[S@@](=O)C1 ZINC000241121831 382982684 /nfs/dbraw/zinc/98/26/84/382982684.db2.gz JEELDIIOOVRKBY-IFXJQAMLSA-N 1 1 297.489 2.620 50 0 CFAAMO Cc1sc2ncnc(N3CC[N@H+]4CCC[C@H]4C3)c2c1C ZINC000241693836 382984575 /nfs/dbraw/zinc/98/45/75/382984575.db2.gz QICLGZSCGZMJBN-LBPRGKRZSA-N 1 1 288.420 2.593 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000242156014 382984583 /nfs/dbraw/zinc/98/45/83/382984583.db2.gz WVBLTBAGBRACKT-RYUDHWBXSA-N 1 1 283.334 2.581 50 0 CFAAMO COc1ccc2[nH]c3c(c2c1)CN(C[C@@H]1CCC[N@H+]1C)CC3 ZINC000244873326 382993777 /nfs/dbraw/zinc/99/37/77/382993777.db2.gz WOEXMIXTJWGTNH-ZDUSSCGKSA-N 1 1 299.418 2.629 50 0 CFAAMO CNc1nc(C[N@H+](C)CCCn2nc(C)cc2C)cs1 ZINC000244873366 382994662 /nfs/dbraw/zinc/99/46/62/382994662.db2.gz WOXPGUQEJZWKJU-UHFFFAOYSA-N 1 1 293.440 2.520 50 0 CFAAMO CNc1nc(C[N@@H+](C)CCCn2nc(C)cc2C)cs1 ZINC000244873366 382994663 /nfs/dbraw/zinc/99/46/63/382994663.db2.gz WOXPGUQEJZWKJU-UHFFFAOYSA-N 1 1 293.440 2.520 50 0 CFAAMO O=C(c1ccccn1)[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000244866585 382994862 /nfs/dbraw/zinc/99/48/62/382994862.db2.gz VYPYKXXQIWFIHW-CYBMUJFWSA-N 1 1 290.432 2.872 50 0 CFAAMO C[N@@H+](CCOc1ccccc1)CC[C@@H]1CCCCO1 ZINC000244899639 382995516 /nfs/dbraw/zinc/99/55/16/382995516.db2.gz ZNFAAEARGPFBJU-INIZCTEOSA-N 1 1 263.381 2.956 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](CCc2ccccc2)[C@H](C)[C@H]1C ZINC000245257283 382996708 /nfs/dbraw/zinc/99/67/08/382996708.db2.gz YNNDIBSJMPQCKB-CKEIUWERSA-N 1 1 275.392 2.891 50 0 CFAAMO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2N1C1CC1 ZINC000246325209 383072173 /nfs/dbraw/zinc/07/21/73/383072173.db2.gz SCEBQEXKOXURIY-RDJZCZTQSA-N 1 1 284.403 2.662 50 0 CFAAMO CCc1ccc(C[N@@H+](C)Cc2cn(CC)nc2C)o1 ZINC000426527605 383404467 /nfs/dbraw/zinc/40/44/67/383404467.db2.gz AJEQJBSTDNVPBI-UHFFFAOYSA-N 1 1 261.369 2.999 50 0 CFAAMO CCc1ccc(C[N@H+](C)Cc2cn(CC)nc2C)o1 ZINC000426527605 383404470 /nfs/dbraw/zinc/40/44/70/383404470.db2.gz AJEQJBSTDNVPBI-UHFFFAOYSA-N 1 1 261.369 2.999 50 0 CFAAMO CCn1nccc1CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000253419828 383457078 /nfs/dbraw/zinc/45/70/78/383457078.db2.gz CXAOHTOHMZDYMS-LSDHHAIUSA-N 1 1 279.453 2.806 50 0 CFAAMO C[NH+](C)Cc1cnc(CN2CCc3ccccc32)s1 ZINC000253426756 383458756 /nfs/dbraw/zinc/45/87/56/383458756.db2.gz AUNIBYMNUVKHPK-UHFFFAOYSA-N 1 1 273.405 2.767 50 0 CFAAMO COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(OC)OC)cc1 ZINC000252540058 383417867 /nfs/dbraw/zinc/41/78/67/383417867.db2.gz ORUILKNKMRCGHV-DOMZBBRYSA-N 1 1 279.380 2.697 50 0 CFAAMO Cc1nnc(CCC[N@H+](C)[C@H]2CCCC[C@H]2C)o1 ZINC000252586451 383421115 /nfs/dbraw/zinc/42/11/15/383421115.db2.gz QCUFXDALUKBVLR-YPMHNXCESA-N 1 1 251.374 2.821 50 0 CFAAMO CC(=O)N1CC[C@H](Cc2[nH+]cc(C)n2Cc2ccccc2)C1 ZINC000257176624 383489624 /nfs/dbraw/zinc/48/96/24/383489624.db2.gz CUIBMUFBQDODFC-QGZVFWFLSA-N 1 1 297.402 2.651 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)N(C)C)C2)n1C(C)C ZINC000257196736 383492939 /nfs/dbraw/zinc/49/29/39/383492939.db2.gz YUCZBSHTJZVRLG-CQSZACIVSA-N 1 1 292.427 2.709 50 0 CFAAMO CC(=O)N1CCC[C@H]1CCc1[nH+]cc(C)n1C(C)C ZINC000257195904 383493683 /nfs/dbraw/zinc/49/36/83/383493683.db2.gz XBSLZRSPHAVWJO-AWEZNQCLSA-N 1 1 263.385 2.716 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cn1 ZINC000636440573 383817858 /nfs/dbraw/zinc/81/78/58/383817858.db2.gz QTDLVSDKKXDXHK-DLBZAZTESA-N 1 1 298.386 2.788 50 0 CFAAMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280154327 384907880 /nfs/dbraw/zinc/90/78/80/384907880.db2.gz DWSRFXOTNHZXJG-AJFISWQDSA-N 1 1 273.376 2.580 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2C[C@H]2CC)C1 ZINC000280789287 385154938 /nfs/dbraw/zinc/15/49/38/385154938.db2.gz OQIVLRRMGUKFLF-HZSPNIEDSA-N 1 1 290.411 2.591 50 0 CFAAMO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271162552 385357873 /nfs/dbraw/zinc/35/78/73/385357873.db2.gz QNCMDHHFODENMW-HNNXBMFYSA-N 1 1 257.381 2.694 50 0 CFAAMO C[NH+](C)[C@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000271162552 385357876 /nfs/dbraw/zinc/35/78/76/385357876.db2.gz QNCMDHHFODENMW-HNNXBMFYSA-N 1 1 257.381 2.694 50 0 CFAAMO CCC[C@]1(CO)CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000288861411 197180648 /nfs/dbraw/zinc/18/06/48/197180648.db2.gz PVOONUMUCSQYGO-KRWDZBQOSA-N 1 1 277.408 2.858 50 0 CFAAMO Cc1cc(C[C@H](C)[NH2+]Cc2cn(C(C)C)nc2C)n[nH]1 ZINC000281284607 195182015 /nfs/dbraw/zinc/18/20/15/195182015.db2.gz IFCBADSEOCRDBY-NSHDSACASA-N 1 1 275.400 2.525 50 0 CFAAMO COCC[C@H]1C[N@H+](C2CCCCCCC2)CCO1 ZINC000824384104 781990348 /nfs/dbraw/zinc/99/03/48/781990348.db2.gz GHOPTNMULHRCRR-HNNXBMFYSA-N 1 1 255.402 2.837 50 0 CFAAMO COc1ccc(C)[nH+]c1NCc1cnc(N(C)C)s1 ZINC000096482420 533419788 /nfs/dbraw/zinc/41/97/88/533419788.db2.gz SJSIEBAMWVRDBX-UHFFFAOYSA-N 1 1 278.381 2.533 50 0 CFAAMO C[N@@H+](CCc1nc2ccccc2[nH]1)CCc1ccccn1 ZINC000243893011 131083333 /nfs/dbraw/zinc/08/33/33/131083333.db2.gz ANKUSWRSMZDMFT-UHFFFAOYSA-N 1 1 280.375 2.675 50 0 CFAAMO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000245316865 131085214 /nfs/dbraw/zinc/08/52/14/131085214.db2.gz KYLMXVANZPRWHC-GOEBONIOSA-N 1 1 291.366 2.899 50 0 CFAAMO Cc1c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cnn1C ZINC000268917697 132088020 /nfs/dbraw/zinc/08/80/20/132088020.db2.gz VPAPBCWBZVWOHD-LLVKDONJSA-N 1 1 261.291 2.503 50 0 CFAAMO C1C[C@H]2CN(C3C4CC5CC(C4)CC3C5)CC[N@H+]2C1 ZINC000019637776 393483642 /nfs/dbraw/zinc/48/36/42/393483642.db2.gz KWORYKSPKDSKKG-IKXAHOJESA-N 1 1 260.425 2.591 50 0 CFAAMO CC[N@H+]1CC[C@H](CNC(=O)Nc2c(C)cccc2C)C1 ZINC000046955904 393584441 /nfs/dbraw/zinc/58/44/41/393584441.db2.gz MHJZKFWFGCFBTC-CQSZACIVSA-N 1 1 275.396 2.767 50 0 CFAAMO COc1ccc(-c2nc3c([nH]2)C[N@H+](C2CCCC2)CC3)cn1 ZINC000223774549 393766086 /nfs/dbraw/zinc/76/60/86/393766086.db2.gz QOEMBMSCZDLYJO-UHFFFAOYSA-N 1 1 298.390 2.781 50 0 CFAAMO CCC(=O)N1N=C2[C@@H]([C@@H]1c1ccco1)[C@@H](C)[N@@H+](C)C[C@H]2C ZINC000245232374 393799769 /nfs/dbraw/zinc/79/97/69/393799769.db2.gz URLGZASRDBGECB-XYJYNPGVSA-N 1 1 289.379 2.515 50 0 CFAAMO C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@H]1n1ccnc1 ZINC000245592642 393818665 /nfs/dbraw/zinc/81/86/65/393818665.db2.gz KXUQRNXNKQXREX-GOEBONIOSA-N 1 1 295.390 2.614 50 0 CFAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccn1 ZINC000096424135 393829849 /nfs/dbraw/zinc/82/98/49/393829849.db2.gz DODNJBPFNNHBBS-AWEZNQCLSA-N 1 1 293.374 2.855 50 0 CFAAMO CC[N@H+](Cc1ccncc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000096424691 393829856 /nfs/dbraw/zinc/82/98/56/393829856.db2.gz XBOVLYFUUUFWQI-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000096424691 393829859 /nfs/dbraw/zinc/82/98/59/393829859.db2.gz XBOVLYFUUUFWQI-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000108497325 393874826 /nfs/dbraw/zinc/87/48/26/393874826.db2.gz SMLMQJYEXHKRDL-CYBMUJFWSA-N 1 1 287.407 2.639 50 0 CFAAMO O=C1[C@@H]([NH2+]Cc2ccco2)CCCN1c1ccccc1 ZINC000114510827 393901497 /nfs/dbraw/zinc/90/14/97/393901497.db2.gz LUVBWXKHRADHLV-HNNXBMFYSA-N 1 1 270.332 2.565 50 0 CFAAMO CC[N@@H+]1C[C@H](C)N(C(=O)c2sccc2C)C[C@H]1C ZINC000252511175 393937210 /nfs/dbraw/zinc/93/72/10/393937210.db2.gz DRCNVAHSWYGGNJ-NEPJUHHUSA-N 1 1 266.410 2.611 50 0 CFAAMO CC[N@H+]1C[C@H](C)N(C(=O)c2sccc2C)C[C@H]1C ZINC000252511175 393937213 /nfs/dbraw/zinc/93/72/13/393937213.db2.gz DRCNVAHSWYGGNJ-NEPJUHHUSA-N 1 1 266.410 2.611 50 0 CFAAMO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000134525642 394199612 /nfs/dbraw/zinc/19/96/12/394199612.db2.gz HDLYDXGDQCFDCQ-CYBMUJFWSA-N 1 1 272.396 2.527 50 0 CFAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COC(C)C ZINC000170599643 394371495 /nfs/dbraw/zinc/37/14/95/394371495.db2.gz NBHFSBMZWIEKSW-GXTWGEPZSA-N 1 1 283.437 2.843 50 0 CFAAMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cccnc1C(F)(F)F ZINC000530108510 394451074 /nfs/dbraw/zinc/45/10/74/394451074.db2.gz RJXUFNXBMABZJT-SECBINFHSA-N 1 1 285.269 2.971 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)C/C(C)=C\c2ccccc2)C1 ZINC000538794253 394616278 /nfs/dbraw/zinc/61/62/78/394616278.db2.gz QEHOGCUKJFBNBI-RXBGNRNISA-N 1 1 286.419 2.890 50 0 CFAAMO C[N@H+](C1CCN(C2CCOCC2)CC1)[C@H]1C=CCCC1 ZINC000066497760 543107185 /nfs/dbraw/zinc/10/71/85/543107185.db2.gz WLNODZHKLGETPP-HNNXBMFYSA-N 1 1 278.440 2.670 50 0 CFAAMO C[N@@H+](C1CCN(C2CCOCC2)CC1)[C@H]1C=CCCC1 ZINC000066497760 543107188 /nfs/dbraw/zinc/10/71/88/543107188.db2.gz WLNODZHKLGETPP-HNNXBMFYSA-N 1 1 278.440 2.670 50 0 CFAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000046996404 397583757 /nfs/dbraw/zinc/58/37/57/397583757.db2.gz VFIWHWWVHRJLBL-UONOGXRCSA-N 1 1 278.421 2.722 50 0 CFAAMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000047980949 397589068 /nfs/dbraw/zinc/58/90/68/397589068.db2.gz CUGDSFBTDRSBOK-HNNXBMFYSA-N 1 1 290.382 2.564 50 0 CFAAMO Cc1ccccc1OCCC[N@H+]1CC[C@@H](N2CC=CC2)C1 ZINC000101269957 397593308 /nfs/dbraw/zinc/59/33/08/397593308.db2.gz IZQSUBJWNOEICF-QGZVFWFLSA-N 1 1 286.419 2.710 50 0 CFAAMO Cc1ccccc1OCCCN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101269957 397593311 /nfs/dbraw/zinc/59/33/11/397593311.db2.gz IZQSUBJWNOEICF-QGZVFWFLSA-N 1 1 286.419 2.710 50 0 CFAAMO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000108476986 397598438 /nfs/dbraw/zinc/59/84/38/397598438.db2.gz RGFQUUVMZGPWSO-HPFXQQBRSA-N 1 1 294.483 2.902 50 0 CFAAMO CSCC[N@@H+](C)Cc1ccc(Cn2cccn2)cc1 ZINC000215277463 397619229 /nfs/dbraw/zinc/61/92/29/397619229.db2.gz OSBYUFZWUCGXNI-UHFFFAOYSA-N 1 1 275.421 2.726 50 0 CFAAMO Oc1ccc(CN(CC[N@H+]2C[C@H]3CC[C@@H]2C3)C2CC2)cc1 ZINC000252485255 397628440 /nfs/dbraw/zinc/62/84/40/397628440.db2.gz GPQJTWJGTUIDGJ-DOTOQJQBSA-N 1 1 286.419 2.841 50 0 CFAAMO Cc1cc(N2CCC=C(c3ccccn3)C2)nc(C)[nH+]1 ZINC000657208506 413339870 /nfs/dbraw/zinc/33/98/70/413339870.db2.gz RJZHOQJUIUKDNL-UHFFFAOYSA-N 1 1 266.348 2.782 50 0 CFAAMO CC1=C(c2ccco2)C[N@@H+](CC[C@@H]2CCOC2=O)CC1 ZINC000374531858 157126302 /nfs/dbraw/zinc/12/63/02/157126302.db2.gz SVIBZVKQCPPXLC-CYBMUJFWSA-N 1 1 275.348 2.712 50 0 CFAAMO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000004841061 170027964 /nfs/dbraw/zinc/02/79/64/170027964.db2.gz TZVJNJMOBARIOQ-ZDUSSCGKSA-N 1 1 261.365 3.000 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004985797 170048964 /nfs/dbraw/zinc/04/89/64/170048964.db2.gz NGVRRFNTLUICMV-BETUJISGSA-N 1 1 261.365 2.951 50 0 CFAAMO CCCC[N@@H+](CC)C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000005938924 170159480 /nfs/dbraw/zinc/15/94/80/170159480.db2.gz DIEPIFIUWYBJAB-INIZCTEOSA-N 1 1 293.407 2.751 50 0 CFAAMO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000005960340 170162924 /nfs/dbraw/zinc/16/29/24/170162924.db2.gz TWONGAUIMUMGFF-ZDUSSCGKSA-N 1 1 276.380 2.756 50 0 CFAAMO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000005960340 170162925 /nfs/dbraw/zinc/16/29/25/170162925.db2.gz TWONGAUIMUMGFF-ZDUSSCGKSA-N 1 1 276.380 2.756 50 0 CFAAMO C[N@@H+](CC(=O)NC1CCCCC1)C1CCCCC1 ZINC000006001437 170167295 /nfs/dbraw/zinc/16/72/95/170167295.db2.gz UCINIRMBUMCLIY-UHFFFAOYSA-N 1 1 252.402 2.700 50 0 CFAAMO COc1ccc(OC)c(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000006086158 170174782 /nfs/dbraw/zinc/17/47/82/170174782.db2.gz QHPNQCHIGUTCSS-UHFFFAOYSA-N 1 1 292.379 2.518 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3cc(F)ccc3F)cs2)CC1 ZINC000006785359 170243703 /nfs/dbraw/zinc/24/37/03/170243703.db2.gz VNSQEVPNKIFJSL-UHFFFAOYSA-N 1 1 295.358 2.840 50 0 CFAAMO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000007378682 170281089 /nfs/dbraw/zinc/28/10/89/170281089.db2.gz FTTIQFMVCSPWGM-CQSZACIVSA-N 1 1 286.419 2.882 50 0 CFAAMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000007378682 170281091 /nfs/dbraw/zinc/28/10/91/170281091.db2.gz FTTIQFMVCSPWGM-CQSZACIVSA-N 1 1 286.419 2.882 50 0 CFAAMO Fc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)c(F)c1 ZINC000007986233 170312215 /nfs/dbraw/zinc/31/22/15/170312215.db2.gz GUGKLXLWOYXEEG-UHFFFAOYSA-N 1 1 277.270 2.983 50 0 CFAAMO C[NH2+]CCCNCc1cccc(OCc2ccccc2)c1 ZINC000008377191 170333849 /nfs/dbraw/zinc/33/38/49/170333849.db2.gz XHOOWKNWPBZMAS-UHFFFAOYSA-N 1 1 284.403 2.965 50 0 CFAAMO CC[NH+]1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000008578827 170341233 /nfs/dbraw/zinc/34/12/33/170341233.db2.gz VILBLPAJXDFBIR-UHFFFAOYSA-N 1 1 283.828 2.674 50 0 CFAAMO Cc1csc2nc(C[N@H+](C)C3CCCCC3)cc(=O)n12 ZINC000010030148 170396358 /nfs/dbraw/zinc/39/63/58/170396358.db2.gz NEPJRRMZTWSJDS-UHFFFAOYSA-N 1 1 291.420 2.829 50 0 CFAAMO CCOc1cccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020167151 171040905 /nfs/dbraw/zinc/04/09/05/171040905.db2.gz VTFLDLXTNUOBCF-KBPBESRZSA-N 1 1 279.380 2.573 50 0 CFAAMO C[N@@H+](CCCNC(=O)c1ccccc1O)Cc1ccccc1 ZINC000020260196 171116515 /nfs/dbraw/zinc/11/65/15/171116515.db2.gz OXPUUHBIZPDQGQ-UHFFFAOYSA-N 1 1 298.386 2.644 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000020445510 171206361 /nfs/dbraw/zinc/20/63/61/171206361.db2.gz MWOUYKUQLQYYNH-GFCCVEGCSA-N 1 1 279.343 2.774 50 0 CFAAMO Cn1cc(C[N@@H+](C)CCOc2ccccc2Cl)cn1 ZINC000020540666 171241396 /nfs/dbraw/zinc/24/13/96/171241396.db2.gz ASPSBAFQLCCHKQ-UHFFFAOYSA-N 1 1 279.771 2.584 50 0 CFAAMO CC(=O)c1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020653571 171269693 /nfs/dbraw/zinc/26/96/93/171269693.db2.gz JTFXMIRTEGZTLM-ZIAGYGMSSA-N 1 1 291.391 2.767 50 0 CFAAMO Cc1cc(C[N@@H+](C)CCCn2cnc3ccccc32)[nH]n1 ZINC000020821266 171273474 /nfs/dbraw/zinc/27/34/74/171273474.db2.gz WWJFFZGBMSLIJF-UHFFFAOYSA-N 1 1 283.379 2.590 50 0 CFAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000022216167 171375947 /nfs/dbraw/zinc/37/59/47/171375947.db2.gz VTOJUZHJWUBFJD-KRWDZBQOSA-N 1 1 253.345 2.780 50 0 CFAAMO c1ccc(OCCCCCC[NH+]2CCNCC2)cc1 ZINC000022577180 171392317 /nfs/dbraw/zinc/39/23/17/171392317.db2.gz SJLTXOZNHPTBJS-UHFFFAOYSA-N 1 1 262.397 2.531 50 0 CFAAMO CN1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000037250110 173062209 /nfs/dbraw/zinc/06/22/09/173062209.db2.gz BXULTJRIMXLDJU-UHFFFAOYSA-N 1 1 288.313 2.769 50 0 CFAAMO Cc1cccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000039515213 174169509 /nfs/dbraw/zinc/16/95/09/174169509.db2.gz CMYPGNJEDGFJDQ-GOSISDBHSA-N 1 1 290.451 2.520 50 0 CFAAMO Cc1cc(N[C@@H](C)c2ccc(-n3cncn3)cc2)nc(C)[nH+]1 ZINC000040051209 174185141 /nfs/dbraw/zinc/18/51/41/174185141.db2.gz VFTLBDLDHJBFEQ-LBPRGKRZSA-N 1 1 294.362 2.847 50 0 CFAAMO Cc1ccc(SCC[N@@H+](C)CC(=O)NC(C)C)cc1C ZINC000040135434 174193654 /nfs/dbraw/zinc/19/36/54/174193654.db2.gz UVVUJCOKLWKLRS-UHFFFAOYSA-N 1 1 294.464 2.852 50 0 CFAAMO Cc1ccc(SCC[N@H+](C)CC(=O)NC(C)C)cc1C ZINC000040135434 174193656 /nfs/dbraw/zinc/19/36/56/174193656.db2.gz UVVUJCOKLWKLRS-UHFFFAOYSA-N 1 1 294.464 2.852 50 0 CFAAMO C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)[C@H](C)CO1 ZINC000045785140 175383730 /nfs/dbraw/zinc/38/37/30/175383730.db2.gz ZEXGNYPGIWZEGZ-CHWSQXEVSA-N 1 1 267.344 2.704 50 0 CFAAMO Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)no1 ZINC000053398425 175548904 /nfs/dbraw/zinc/54/89/04/175548904.db2.gz PPJLNDDBIVSQRI-HNNXBMFYSA-N 1 1 285.347 2.759 50 0 CFAAMO Cc1cccnc1C[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000071738457 176257598 /nfs/dbraw/zinc/25/75/98/176257598.db2.gz UKHOOVHXJSFDSI-UHFFFAOYSA-N 1 1 270.380 2.633 50 0 CFAAMO Cc1cccnc1C[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000071738457 176257600 /nfs/dbraw/zinc/25/76/00/176257600.db2.gz UKHOOVHXJSFDSI-UHFFFAOYSA-N 1 1 270.380 2.633 50 0 CFAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000071747742 176258732 /nfs/dbraw/zinc/25/87/32/176258732.db2.gz FWTCJJQKLCAWAB-UHFFFAOYSA-N 1 1 296.374 2.696 50 0 CFAAMO CC[N@H+]1CCC[C@@H](Nc2nc(C)cc(C3CCC3)n2)C1 ZINC000071764073 176261984 /nfs/dbraw/zinc/26/19/84/176261984.db2.gz NAFXLEQQDFXEIU-CQSZACIVSA-N 1 1 274.412 2.949 50 0 CFAAMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000071797104 176264847 /nfs/dbraw/zinc/26/48/47/176264847.db2.gz TVQRFENVPQQYIJ-OAHLLOKOSA-N 1 1 299.374 2.528 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828174 176272240 /nfs/dbraw/zinc/27/22/40/176272240.db2.gz SJDZVXPLNVRGOL-NVXWUHKLSA-N 1 1 285.391 2.976 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000071853900 176278248 /nfs/dbraw/zinc/27/82/48/176278248.db2.gz NMDNUPUFWPZLCY-UHFFFAOYSA-N 1 1 285.391 2.726 50 0 CFAAMO NC(=O)[C@@H]([NH2+]CCOC1CCCCCC1)c1ccccc1 ZINC000071911235 176297343 /nfs/dbraw/zinc/29/73/43/176297343.db2.gz KIYWUGXCZOGCFL-INIZCTEOSA-N 1 1 290.407 2.542 50 0 CFAAMO CCc1ccccc1C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000072147510 176325757 /nfs/dbraw/zinc/32/57/57/176325757.db2.gz INUWXFUYCGMGDY-CQSZACIVSA-N 1 1 274.408 2.727 50 0 CFAAMO c1ccc(CO[C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000072154638 176328535 /nfs/dbraw/zinc/32/85/35/176328535.db2.gz MWBDLLAONPZZRE-KRWDZBQOSA-N 1 1 283.375 2.658 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C)C2)C1 ZINC000072274367 176355483 /nfs/dbraw/zinc/35/54/83/176355483.db2.gz SYJUHBGPAAYFTM-LSDHHAIUSA-N 1 1 281.444 2.548 50 0 CFAAMO Clc1ccccc1OCCc1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000072344101 176372741 /nfs/dbraw/zinc/37/27/41/176372741.db2.gz RCNWQTOFJBQQII-LLVKDONJSA-N 1 1 291.782 2.762 50 0 CFAAMO C[C@@H](c1ccccc1F)N(C)c1cc[nH+]c(N(C)C)n1 ZINC000077192134 177231615 /nfs/dbraw/zinc/23/16/15/177231615.db2.gz AWZMLKHFYIBYDO-NSHDSACASA-N 1 1 274.343 2.879 50 0 CFAAMO CC[C@H]1COCC[N@@H+]1CC1=Cc2cc(OC)ccc2OC1 ZINC000077321783 177252301 /nfs/dbraw/zinc/25/23/01/177252301.db2.gz NFXWPNJUAGTGHE-HNNXBMFYSA-N 1 1 289.375 2.582 50 0 CFAAMO CC[C@H]1COCC[N@H+]1CC1=Cc2cc(OC)ccc2OC1 ZINC000077321783 177252304 /nfs/dbraw/zinc/25/23/04/177252304.db2.gz NFXWPNJUAGTGHE-HNNXBMFYSA-N 1 1 289.375 2.582 50 0 CFAAMO Cc1cc(C)nc(C[N@H+]2CCCC[C@@H]2CCn2cccn2)n1 ZINC000077379162 177260455 /nfs/dbraw/zinc/26/04/55/177260455.db2.gz USZQNFVNZKARBH-MRXNPFEDSA-N 1 1 299.422 2.735 50 0 CFAAMO Fc1ccccc1C[NH2+][C@@H](Cn1cncn1)c1ccccc1 ZINC000077404645 177263483 /nfs/dbraw/zinc/26/34/83/177263483.db2.gz SQAOJASAFMVSNZ-KRWDZBQOSA-N 1 1 296.349 2.948 50 0 CFAAMO O=C(c1ccnc2ccccc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195085394 270250244 /nfs/dbraw/zinc/25/02/44/270250244.db2.gz VDYMYOHNTOKGHV-AWEZNQCLSA-N 1 1 295.386 2.545 50 0 CFAAMO CC1(C)C[C@@H](O)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000395404058 270313068 /nfs/dbraw/zinc/31/30/68/270313068.db2.gz UOSQVQOZRCWZED-AWEZNQCLSA-N 1 1 281.371 2.687 50 0 CFAAMO Cc1c(C)n(-c2ccc(C)cc2)c2nc[nH+]c(N)c12 ZINC000003888801 274660646 /nfs/dbraw/zinc/66/06/46/274660646.db2.gz VXEPDEIQHWCDFQ-UHFFFAOYSA-N 1 1 252.321 2.928 50 0 CFAAMO Cc1cccc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)[nH+]1 ZINC000274581016 274793883 /nfs/dbraw/zinc/79/38/83/274793883.db2.gz HOWORNQVRLHNIS-OCCSQVGLSA-N 1 1 256.353 2.674 50 0 CFAAMO OCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000048065333 275046769 /nfs/dbraw/zinc/04/67/69/275046769.db2.gz UJSJQEXLCNXBPM-UHFFFAOYSA-N 1 1 259.271 2.662 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000241587976 276156993 /nfs/dbraw/zinc/15/69/93/276156993.db2.gz OYRYNFXCKLFHQG-KLHDSHLOSA-N 1 1 295.471 2.985 50 0 CFAAMO CC(C)(C)C1CCC([N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000000757611 278301483 /nfs/dbraw/zinc/30/14/83/278301483.db2.gz VQQKVNXESJNLLB-HSBZDZAISA-N 1 1 266.429 2.789 50 0 CFAAMO C[C@H]1CCc2c(C(=O)N3CCC[N@@H+](C)CC3)csc2C1 ZINC000020501110 278386706 /nfs/dbraw/zinc/38/67/06/278386706.db2.gz AYSPUXGIUCPVAY-LBPRGKRZSA-N 1 1 292.448 2.651 50 0 CFAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1c1cccn1C)C(C)C ZINC000067445133 279280663 /nfs/dbraw/zinc/28/06/63/279280663.db2.gz ZJVUTVWSSJYASR-INIZCTEOSA-N 1 1 291.439 2.807 50 0 CFAAMO C[C@H](CNC(=O)c1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000031964813 279346097 /nfs/dbraw/zinc/34/60/97/279346097.db2.gz GVQNFRSUYMQKGL-LLVKDONJSA-N 1 1 290.388 2.518 50 0 CFAAMO C[C@H](CNC(=O)c1ccco1)[N@H+]1CCc2sccc2C1 ZINC000031964813 279346098 /nfs/dbraw/zinc/34/60/98/279346098.db2.gz GVQNFRSUYMQKGL-LLVKDONJSA-N 1 1 290.388 2.518 50 0 CFAAMO Cn1cc(C[N@@H+](C)C/C=C\c2ccc(F)cc2)cn1 ZINC000255716849 281105968 /nfs/dbraw/zinc/10/59/68/281105968.db2.gz CFNFQYIIWVRENO-ARJAWSKDSA-N 1 1 259.328 2.704 50 0 CFAAMO C[N@H+]1CCN(CC[C@H]2CCCO2)C2(CCCCC2)C1 ZINC000249291205 290044616 /nfs/dbraw/zinc/04/46/16/290044616.db2.gz MKSPUNXSCKHQRM-OAHLLOKOSA-N 1 1 266.429 2.506 50 0 CFAAMO COc1ccc([C@@H]2C[N@H+](C3CCCC3)C[C@H]2N(C)C)cc1 ZINC000091526686 295225489 /nfs/dbraw/zinc/22/54/89/295225489.db2.gz MKTATZOHKWPQDM-ZWKOTPCHSA-N 1 1 288.435 2.967 50 0 CFAAMO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1nc(C2CC2)no1 ZINC000132482449 323626145 /nfs/dbraw/zinc/62/61/45/323626145.db2.gz SXOZLSXVZICMGI-GXSJLCMTSA-N 1 1 279.384 2.944 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2SC)o1 ZINC000096441757 534098233 /nfs/dbraw/zinc/09/82/33/534098233.db2.gz JSDFQMKOYPWYCF-YPMHNXCESA-N 1 1 283.393 2.782 50 0 CFAAMO c1cc(CCC[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccn1 ZINC000360454380 526419251 /nfs/dbraw/zinc/41/92/51/526419251.db2.gz IXIBEJNPDWFQJU-CVEARBPZSA-N 1 1 260.381 2.515 50 0 CFAAMO CC1=C[C@H](C)[C@@H](COC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000101512645 528145808 /nfs/dbraw/zinc/14/58/08/528145808.db2.gz DUHAEGVEICDSOU-RRFJBIMHSA-N 1 1 265.397 2.864 50 0 CFAAMO CCc1[nH]c(CN2CCO[C@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000952964847 615736589 /nfs/dbraw/zinc/73/65/89/615736589.db2.gz BWOZBZOJUBVZLH-INIZCTEOSA-N 1 1 285.391 2.854 50 0 CFAAMO COC[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(O)c1 ZINC000952970155 616938040 /nfs/dbraw/zinc/93/80/40/616938040.db2.gz QSDUHKFZSKWWKA-INIZCTEOSA-N 1 1 272.348 2.607 50 0 CFAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(O)c1 ZINC000952970155 616938046 /nfs/dbraw/zinc/93/80/46/616938046.db2.gz QSDUHKFZSKWWKA-INIZCTEOSA-N 1 1 272.348 2.607 50 0 CFAAMO CCCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@H]1C ZINC000261361495 619138014 /nfs/dbraw/zinc/13/80/14/619138014.db2.gz AUMQUVNLMMEFEG-BBRMVZONSA-N 1 1 261.365 2.949 50 0 CFAAMO C=CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000848979117 623786544 /nfs/dbraw/zinc/78/65/44/623786544.db2.gz DHYPPZIQIOECLF-SFHVURJKSA-N 1 1 284.403 2.687 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000179750247 624975966 /nfs/dbraw/zinc/97/59/66/624975966.db2.gz CTJVUJNYHRCGNZ-MRXNPFEDSA-N 1 1 285.391 2.698 50 0 CFAAMO COCCN1CC[N@@H+](C[C@@H](C)CCC=C(C)C)CCC1=O ZINC000012000174 626225268 /nfs/dbraw/zinc/22/52/68/626225268.db2.gz KNGJKEHMVUYHPE-INIZCTEOSA-N 1 1 296.455 2.550 50 0 CFAAMO c1ccc(N[C@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000012434511 626405792 /nfs/dbraw/zinc/40/57/92/626405792.db2.gz MQUVXBLAQRQFEE-HNNXBMFYSA-N 1 1 260.381 2.742 50 0 CFAAMO C(=C/c1cccnc1)\c1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000096001528 650981831 /nfs/dbraw/zinc/98/18/31/650981831.db2.gz MRWWCCVPDKBIQQ-GWJCSSMESA-N 1 1 270.336 2.840 50 0 CFAAMO C/C=C\C[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000103403649 647493004 /nfs/dbraw/zinc/49/30/04/647493004.db2.gz WKKNJVPNTVENQG-ARJAWSKDSA-N 1 1 258.365 2.587 50 0 CFAAMO O=C(/C=C/c1ccsc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000827939340 647818317 /nfs/dbraw/zinc/81/83/17/647818317.db2.gz SEKSVLFOBANZFX-AATRIKPKSA-N 1 1 290.432 2.848 50 0 CFAAMO COc1ccc(CC[N@@H+](C)Cc2ccco2)cc1OC ZINC000016513149 651254038 /nfs/dbraw/zinc/25/40/38/651254038.db2.gz PRQWPOPMBBYRSK-UHFFFAOYSA-N 1 1 275.348 2.971 50 0 CFAAMO c1coc(-c2cccc(C[N@@H+]3CCc4nncn4CC3)c2)c1 ZINC000020997592 651302501 /nfs/dbraw/zinc/30/25/01/651302501.db2.gz GJUJZIIHJZELFL-UHFFFAOYSA-N 1 1 294.358 2.596 50 0 CFAAMO CCCNC(=O)N1CC[C@@H](Cc2[nH+]cc(C)n2C2CC2)C1 ZINC000581806220 775470969 /nfs/dbraw/zinc/47/09/69/775470969.db2.gz WGINDVPJRQRECS-ZDUSSCGKSA-N 1 1 290.411 2.510 50 0 CFAAMO OCC[N@@H+](Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000096455345 230376958 /nfs/dbraw/zinc/37/69/58/230376958.db2.gz KRGAGBKKZWJCRQ-KRWDZBQOSA-N 1 1 268.360 2.563 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484326 230381157 /nfs/dbraw/zinc/38/11/57/230381157.db2.gz VUWRZGJYAXLRIP-YESZJQIVSA-N 1 1 288.435 2.979 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484326 230381158 /nfs/dbraw/zinc/38/11/58/230381158.db2.gz VUWRZGJYAXLRIP-YESZJQIVSA-N 1 1 288.435 2.979 50 0 CFAAMO CCc1cccc(NC(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000095508087 185000837 /nfs/dbraw/zinc/00/08/37/185000837.db2.gz XSKQROYGAOBZRF-HNNXBMFYSA-N 1 1 275.396 2.855 50 0 CFAAMO CC(C)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1=O ZINC000095975874 185051089 /nfs/dbraw/zinc/05/10/89/185051089.db2.gz LCIZTRNDBZQCQH-ZDUSSCGKSA-N 1 1 266.410 2.579 50 0 CFAAMO CC(C)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1=O ZINC000095975874 185051092 /nfs/dbraw/zinc/05/10/92/185051092.db2.gz LCIZTRNDBZQCQH-ZDUSSCGKSA-N 1 1 266.410 2.579 50 0 CFAAMO Cc1nnc(CN[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000096006409 185062611 /nfs/dbraw/zinc/06/26/11/185062611.db2.gz AGBWMKSQMAIXSX-LLVKDONJSA-N 1 1 297.362 2.723 50 0 CFAAMO CC[C@@H]1CCC[C@H](C[N@@H+](CCOC)C(C)(C)CO)C1 ZINC000096011456 185065488 /nfs/dbraw/zinc/06/54/88/185065488.db2.gz GKYYFEWCDDACEK-CABCVRRESA-N 1 1 271.445 2.922 50 0 CFAAMO CCC[N@H+](Cc1nc2c(nccc2C)[nH]1)CC1CC1 ZINC000096012908 185065851 /nfs/dbraw/zinc/06/58/51/185065851.db2.gz OJQKAFVWRGHBBP-UHFFFAOYSA-N 1 1 258.369 2.888 50 0 CFAAMO Cn1c[nH+]cc1CCNc1ccnc(-c2ccccc2)n1 ZINC000096011382 185065896 /nfs/dbraw/zinc/06/58/96/185065896.db2.gz JTXUXOKWNOYGGL-UHFFFAOYSA-N 1 1 279.347 2.532 50 0 CFAAMO CCc1nc([C@@H](C)[NH2+]CCN2CCCCC2)cs1 ZINC000096014101 185066898 /nfs/dbraw/zinc/06/68/98/185066898.db2.gz CNHBHXIPYJFYKI-GFCCVEGCSA-N 1 1 267.442 2.842 50 0 CFAAMO CC[N@@H+](C)C1(CNc2ncc(C)c(N(C)C)n2)CCCC1 ZINC000823067864 781919625 /nfs/dbraw/zinc/91/96/25/781919625.db2.gz RRGKFJBPJBUNGB-UHFFFAOYSA-N 1 1 291.443 2.527 50 0 CFAAMO C[C@H](C(=O)N(C)C)[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000096967904 185143506 /nfs/dbraw/zinc/14/35/06/185143506.db2.gz GJUGZSLNOHHRMS-JISDDCRVSA-N 1 1 278.440 2.611 50 0 CFAAMO Cn1ccnc1C[NH2+][C@@H]1CCCc2c1cnn2C(C)(C)C ZINC000072274466 346924712 /nfs/dbraw/zinc/92/47/12/346924712.db2.gz ISKCNRDWJXHOHV-CYBMUJFWSA-N 1 1 287.411 2.539 50 0 CFAAMO Cc1cc(C)cc([C@H]2CC[N@@H+](CCC3OCCO3)C2)c1 ZINC000126806109 187264043 /nfs/dbraw/zinc/26/40/43/187264043.db2.gz WPKIYEMDDRKFMG-HNNXBMFYSA-N 1 1 275.392 2.856 50 0 CFAAMO CN(C/C=C/c1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000097743427 529820160 /nfs/dbraw/zinc/82/01/60/529820160.db2.gz YEIOVYMYNLDQRR-UJAVWCLSSA-N 1 1 262.372 2.770 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069328475 539373471 /nfs/dbraw/zinc/37/34/71/539373471.db2.gz GJKZOCFGUZQGQU-IRXDYDNUSA-N 1 1 272.392 2.662 50 0 CFAAMO CSc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000000209973 539376874 /nfs/dbraw/zinc/37/68/74/539376874.db2.gz RZUHXZACPYLNOG-CYBMUJFWSA-N 1 1 251.395 2.755 50 0 CFAAMO COCC[N@H+](C)Cc1ccnc(NC(=O)CCC(C)C)c1 ZINC000075104478 347055603 /nfs/dbraw/zinc/05/56/03/347055603.db2.gz HWAJCRXKUGRPPW-UHFFFAOYSA-N 1 1 293.411 2.535 50 0 CFAAMO COCC[N@@H+](C)Cc1ccnc(NC(=O)CCC(C)C)c1 ZINC000075104478 347055605 /nfs/dbraw/zinc/05/56/05/347055605.db2.gz HWAJCRXKUGRPPW-UHFFFAOYSA-N 1 1 293.411 2.535 50 0 CFAAMO CC(C)c1nc(C[N@@H+](C)Cc2ccccc2)cc(=O)[nH]1 ZINC000075551844 347083812 /nfs/dbraw/zinc/08/38/12/347083812.db2.gz ULFUMQZXWNMXKI-UHFFFAOYSA-N 1 1 271.364 2.525 50 0 CFAAMO COc1ccc(/C=C\C(=O)OCC[N@@H+](C)C(C)C)cc1 ZINC000005789761 346212404 /nfs/dbraw/zinc/21/24/04/346212404.db2.gz CAKXLCGUBJRIAU-YFHOEESVSA-N 1 1 277.364 2.592 50 0 CFAAMO CSc1nnc([C@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000006259825 346214029 /nfs/dbraw/zinc/21/40/29/346214029.db2.gz LJHDSDRRMXVUAB-SNVBAGLBSA-N 1 1 274.349 2.515 50 0 CFAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078400 346248357 /nfs/dbraw/zinc/24/83/57/346248357.db2.gz HJBQVDKHMZTIHJ-ABAIWWIYSA-N 1 1 266.335 2.633 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000027207776 346268917 /nfs/dbraw/zinc/26/89/17/346268917.db2.gz PGWROFPUKKZPKE-QGZVFWFLSA-N 1 1 299.370 2.639 50 0 CFAAMO OCC[N@H+](CCc1ccccc1)Cc1ccncc1Cl ZINC000075740771 347096733 /nfs/dbraw/zinc/09/67/33/347096733.db2.gz TWAHSFHVJFHDGU-UHFFFAOYSA-N 1 1 290.794 2.772 50 0 CFAAMO OCC[N@@H+](CCc1ccccc1)Cc1ccncc1Cl ZINC000075740771 347096737 /nfs/dbraw/zinc/09/67/37/347096737.db2.gz TWAHSFHVJFHDGU-UHFFFAOYSA-N 1 1 290.794 2.772 50 0 CFAAMO Clc1cncc(N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000076063001 347117744 /nfs/dbraw/zinc/11/77/44/347117744.db2.gz VLFBTKUZPQCSJI-JTQLQIEISA-N 1 1 266.776 2.559 50 0 CFAAMO CC(C)Oc1ccccc1CN1CCC[N@@H+](C)CC1 ZINC000269357244 535060125 /nfs/dbraw/zinc/06/01/25/535060125.db2.gz NIHUSIFIDGSJPR-UHFFFAOYSA-N 1 1 262.397 2.611 50 0 CFAAMO CC[C@H](C(=O)NC[NH+]1CCCCC1)c1ccccc1 ZINC000096026532 347700267 /nfs/dbraw/zinc/70/02/67/347700267.db2.gz JORYREZKSOUJLR-HNNXBMFYSA-N 1 1 260.381 2.740 50 0 CFAAMO CC(C)Cn1nccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000097231964 347707673 /nfs/dbraw/zinc/70/76/73/347707673.db2.gz QRFMJNXCCSCJFW-STQMWFEESA-N 1 1 262.401 2.576 50 0 CFAAMO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000106767907 347732865 /nfs/dbraw/zinc/73/28/65/347732865.db2.gz UTUTYAYTMYOUSK-ROUUACIJSA-N 1 1 299.418 2.907 50 0 CFAAMO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000195569280 348146801 /nfs/dbraw/zinc/14/68/01/348146801.db2.gz QTJHQXPAKBJQDZ-NVXWUHKLSA-N 1 1 298.434 2.873 50 0 CFAAMO COc1ccc([C@H]2C[C@@H](C)C[N@H+]2CCC2OCCO2)cc1 ZINC000195565958 348146968 /nfs/dbraw/zinc/14/69/68/348146968.db2.gz GMNKJOBJMRGVCS-CZUORRHYSA-N 1 1 291.391 2.841 50 0 CFAAMO c1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)co1 ZINC000584884169 348726399 /nfs/dbraw/zinc/72/63/99/348726399.db2.gz RYCLLAQQLYIZNG-CQSZACIVSA-N 1 1 282.347 2.702 50 0 CFAAMO c1ccc(-c2ncc3c(n2)C[N@@H+]([C@H]2CCSC2)C3)cc1 ZINC000584894003 348729906 /nfs/dbraw/zinc/72/99/06/348729906.db2.gz SXMSPFBAMLXILW-AWEZNQCLSA-N 1 1 283.400 2.965 50 0 CFAAMO CC[C@@H](CNc1nccc2ccccc21)[NH+]1CCOCC1 ZINC000584902696 348732942 /nfs/dbraw/zinc/73/29/42/348732942.db2.gz HOELUODMJHWKTO-HNNXBMFYSA-N 1 1 285.391 2.758 50 0 CFAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000089941275 179888309 /nfs/dbraw/zinc/88/83/09/179888309.db2.gz OPVYHCXHJDUILO-CMPLNLGQSA-N 1 1 295.333 2.665 50 0 CFAAMO COc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C)c(F)c1 ZINC000090888221 180054375 /nfs/dbraw/zinc/05/43/75/180054375.db2.gz FRHFRTMXEBYZJB-SNVBAGLBSA-N 1 1 277.343 2.727 50 0 CFAAMO c1ccc(CCC[N@H+]2CCCN(c3ccncn3)CC2)cc1 ZINC000091603496 180203004 /nfs/dbraw/zinc/20/30/04/180203004.db2.gz BTIFYZHQSFUNKH-UHFFFAOYSA-N 1 1 296.418 2.622 50 0 CFAAMO CCc1[nH+]ccn1CCCS(=O)(=O)c1ccc(C)cc1 ZINC000091602030 180203586 /nfs/dbraw/zinc/20/35/86/180203586.db2.gz MUGIFGGKSRRFPJ-UHFFFAOYSA-N 1 1 292.404 2.618 50 0 CFAAMO O=C(N[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1C1CC1)c1ccoc1 ZINC000091504838 180176139 /nfs/dbraw/zinc/17/61/39/180176139.db2.gz KFEMJCKEXUAAQA-CVEARBPZSA-N 1 1 288.391 2.520 50 0 CFAAMO COc1cc[nH+]c(C[C@H]2COc3ccccc3C2)c1 ZINC000091636778 180210808 /nfs/dbraw/zinc/21/08/08/180210808.db2.gz AUICZFGEWMQHSF-LBPRGKRZSA-N 1 1 255.317 2.884 50 0 CFAAMO OCc1ccc(C[C@H]2CC[N@@H+](Cc3ccoc3)C2)cc1 ZINC000091664305 180220923 /nfs/dbraw/zinc/22/09/23/180220923.db2.gz GCVOVORMBJVVNX-MRXNPFEDSA-N 1 1 271.360 2.837 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000092101739 180325553 /nfs/dbraw/zinc/32/55/53/180325553.db2.gz UYDUVFDVWWTGGZ-CYBMUJFWSA-N 1 1 298.789 2.779 50 0 CFAAMO CC[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106135243 186103412 /nfs/dbraw/zinc/10/34/12/186103412.db2.gz YRRYCOUBMRQLGX-LZWOXQAQSA-N 1 1 274.408 2.984 50 0 CFAAMO c1nc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c[nH]1 ZINC000092405770 180379391 /nfs/dbraw/zinc/37/93/91/180379391.db2.gz LZTDLSCPDNQLBH-UHFFFAOYSA-N 1 1 296.418 2.684 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)c3cccnc3)C2)n1 ZINC000106783365 186135792 /nfs/dbraw/zinc/13/57/92/186135792.db2.gz IWSXWDNJFXYTTL-CZUORRHYSA-N 1 1 299.422 2.763 50 0 CFAAMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000110710815 186316003 /nfs/dbraw/zinc/31/60/03/186316003.db2.gz CENVOLOKDBVQLR-OCCSQVGLSA-N 1 1 294.468 2.937 50 0 CFAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)[C@@H]1CC=CCC1 ZINC000618256350 352739911 /nfs/dbraw/zinc/73/99/11/352739911.db2.gz GSUNGEZGMTUELC-HUUCEWRRSA-N 1 1 290.432 2.795 50 0 CFAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)[C@H]1CC=CCC1 ZINC000618256351 352740119 /nfs/dbraw/zinc/74/01/19/352740119.db2.gz GSUNGEZGMTUELC-LSDHHAIUSA-N 1 1 290.432 2.795 50 0 CFAAMO Cc1cc(CNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000222226362 539990343 /nfs/dbraw/zinc/99/03/43/539990343.db2.gz ITQKCFWSTZNKJD-QGZVFWFLSA-N 1 1 297.402 2.618 50 0 CFAAMO C=CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000685940200 540021315 /nfs/dbraw/zinc/02/13/15/540021315.db2.gz XOTLHOLUVAOQIM-DOMZBBRYSA-N 1 1 278.783 2.635 50 0 CFAAMO CCCN(C(=O)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000095523789 283034552 /nfs/dbraw/zinc/03/45/52/283034552.db2.gz TXEJBAPKDCEMKG-INIZCTEOSA-N 1 1 274.408 2.999 50 0 CFAAMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccnc(Cl)c1 ZINC000083704285 540183578 /nfs/dbraw/zinc/18/35/78/540183578.db2.gz GPMYXZOTTKBVSX-GXTWGEPZSA-N 1 1 279.815 2.794 50 0 CFAAMO NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000058356775 283288117 /nfs/dbraw/zinc/28/81/17/283288117.db2.gz VYUXCTUJKBPAIE-GFCCVEGCSA-N 1 1 286.297 2.718 50 0 CFAAMO NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000058356775 283288118 /nfs/dbraw/zinc/28/81/18/283288118.db2.gz VYUXCTUJKBPAIE-GFCCVEGCSA-N 1 1 286.297 2.718 50 0 CFAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)cc1C ZINC000247944851 540421991 /nfs/dbraw/zinc/42/19/91/540421991.db2.gz WDDAKVWJJVGPSO-GDBMZVCRSA-N 1 1 274.408 2.672 50 0 CFAAMO CCN1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000095422527 540724354 /nfs/dbraw/zinc/72/43/54/540724354.db2.gz WFXWISMKVMFDQC-MELADBBJSA-N 1 1 268.445 2.795 50 0 CFAAMO Cc1ccc([C@@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)c(C)c1 ZINC000095404891 540724624 /nfs/dbraw/zinc/72/46/24/540724624.db2.gz UGJUIYIUYQFXCM-RDJZCZTQSA-N 1 1 275.392 2.856 50 0 CFAAMO Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)c(C)c1 ZINC000095404891 540724628 /nfs/dbraw/zinc/72/46/28/540724628.db2.gz UGJUIYIUYQFXCM-RDJZCZTQSA-N 1 1 275.392 2.856 50 0 CFAAMO C[C@@H]1CCCN(C(=O)C[NH2+]C2(c3ccccc3F)CC2)C1 ZINC000179655109 189210577 /nfs/dbraw/zinc/21/05/77/189210577.db2.gz HXMMBIFCTNUEFT-CYBMUJFWSA-N 1 1 290.382 2.663 50 0 CFAAMO Cc1cccc(OC2C[NH+](C3CSCCSC3)C2)c1 ZINC000670433743 540992551 /nfs/dbraw/zinc/99/25/51/540992551.db2.gz BDFLPGGJHIZJJW-UHFFFAOYSA-N 1 1 295.473 2.907 50 0 CFAAMO c1onc2c1C[N@H+](CCCOCc1ccccc1)CC2 ZINC000670442505 540996515 /nfs/dbraw/zinc/99/65/15/540996515.db2.gz IZYWCONCZJMWOV-UHFFFAOYSA-N 1 1 272.348 2.640 50 0 CFAAMO c1onc2c1C[N@@H+](CCCOCc1ccccc1)CC2 ZINC000670442505 540996518 /nfs/dbraw/zinc/99/65/18/540996518.db2.gz IZYWCONCZJMWOV-UHFFFAOYSA-N 1 1 272.348 2.640 50 0 CFAAMO CC(=O)NC(C)(C)C[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000670444044 540996743 /nfs/dbraw/zinc/99/67/43/540996743.db2.gz XZMCBZWNJRRCOU-ZDUSSCGKSA-N 1 1 266.429 2.946 50 0 CFAAMO CC[C@@H](c1ncnn1Cc1ccc(OC)cc1)[N@H+](C)CC ZINC000670446600 540997505 /nfs/dbraw/zinc/99/75/05/540997505.db2.gz WKYMSEMEJGWCNF-HNNXBMFYSA-N 1 1 288.395 2.738 50 0 CFAAMO CC[C@@H](c1ncnn1Cc1ccc(OC)cc1)[N@@H+](C)CC ZINC000670446600 540997508 /nfs/dbraw/zinc/99/75/08/540997508.db2.gz WKYMSEMEJGWCNF-HNNXBMFYSA-N 1 1 288.395 2.738 50 0 CFAAMO CNC(=O)CC[C@H]1CCC[N@@H+](CCC=C(C)C)C1 ZINC000670447260 540997789 /nfs/dbraw/zinc/99/77/89/540997789.db2.gz ZWMPQSVQBYHABJ-CQSZACIVSA-N 1 1 252.402 2.581 50 0 CFAAMO CC(C)c1nccc(C[N@@H+](C)CC2(CO)CCCC2)n1 ZINC000670455460 541001065 /nfs/dbraw/zinc/00/10/65/541001065.db2.gz ZZINFLIWTLNHRR-UHFFFAOYSA-N 1 1 277.412 2.585 50 0 CFAAMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000670458226 541001858 /nfs/dbraw/zinc/00/18/58/541001858.db2.gz GRFOIXAATROPMD-GFCCVEGCSA-N 1 1 274.393 2.621 50 0 CFAAMO Cc1cc(C)nc(CN(C)c2[nH+]cnc3[nH]ccc32)c1 ZINC000670461639 541003209 /nfs/dbraw/zinc/00/32/09/541003209.db2.gz FTULDFMWUADZQC-UHFFFAOYSA-N 1 1 267.336 2.606 50 0 CFAAMO Cc1nn(C(C)C)c(C)c1CN(C)c1[nH+]cnc2[nH]ccc21 ZINC000670473419 541011701 /nfs/dbraw/zinc/01/17/01/541011701.db2.gz AKUJAJADIZLGCG-UHFFFAOYSA-N 1 1 298.394 2.989 50 0 CFAAMO C[N@H+]1CCC[C@@H](CCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000823770644 781937933 /nfs/dbraw/zinc/93/79/33/781937933.db2.gz UFNWZAVVSBWMAQ-ZDUSSCGKSA-N 1 1 270.380 2.746 50 0 CFAAMO C[C@@](O)(CNc1[nH]c2ccccc2[nH+]1)c1ccsc1 ZINC000301885923 201248070 /nfs/dbraw/zinc/24/80/70/201248070.db2.gz OVKPWSDWSLAILI-CQSZACIVSA-N 1 1 273.361 2.944 50 0 CFAAMO C[N@@H+](CCC[C@H]1CCCO1)Cc1cccc2nonc21 ZINC000215553012 189694895 /nfs/dbraw/zinc/69/48/95/189694895.db2.gz LBSKCXKODCFBOF-ZDUSSCGKSA-N 1 1 275.352 2.614 50 0 CFAAMO O=C(C[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000000036672 371514236 /nfs/dbraw/zinc/51/42/36/371514236.db2.gz OAOCNVAUBWHGHZ-UHFFFAOYSA-N 1 1 252.745 2.764 50 0 CFAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000000050507 371517293 /nfs/dbraw/zinc/51/72/93/371517293.db2.gz FJODFNXUZPFUGM-UHFFFAOYSA-N 1 1 297.196 2.874 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000207108 371557181 /nfs/dbraw/zinc/55/71/81/371557181.db2.gz CGWXRMJZQYQZNH-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000207108 371557184 /nfs/dbraw/zinc/55/71/84/371557184.db2.gz CGWXRMJZQYQZNH-JTQLQIEISA-N 1 1 260.164 2.950 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000000236974 371564361 /nfs/dbraw/zinc/56/43/61/371564361.db2.gz HLMFFJLTLCAFPU-OAHLLOKOSA-N 1 1 292.398 2.906 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000000240280 371566275 /nfs/dbraw/zinc/56/62/75/371566275.db2.gz YNKOWKCMEDWXBE-HNNXBMFYSA-N 1 1 291.391 2.779 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)c2ccccc2Cl)C1 ZINC000000316629 371585717 /nfs/dbraw/zinc/58/57/17/371585717.db2.gz QHKYGRMPOPQKTQ-JTQLQIEISA-N 1 1 253.729 2.591 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000000759090 371649422 /nfs/dbraw/zinc/64/94/22/371649422.db2.gz DZYWUHVYUYHVFU-LLVKDONJSA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000000759090 371649431 /nfs/dbraw/zinc/64/94/31/371649431.db2.gz DZYWUHVYUYHVFU-LLVKDONJSA-N 1 1 260.164 2.950 50 0 CFAAMO Cc1cc(Nc2ccccc2Br)nc(N)[nH+]1 ZINC000001679314 371696364 /nfs/dbraw/zinc/69/63/64/371696364.db2.gz UGVMGSPTIJHKOR-UHFFFAOYSA-N 1 1 279.141 2.873 50 0 CFAAMO COc1ccc(C[N@@H+](C)C2CCN(C)CC2)c(C)c1C ZINC000002811283 371757206 /nfs/dbraw/zinc/75/72/06/371757206.db2.gz HKBHPHYPOAKESL-UHFFFAOYSA-N 1 1 276.424 2.838 50 0 CFAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000004027711 371829181 /nfs/dbraw/zinc/82/91/81/371829181.db2.gz QPBHVUSXOHDYKE-LSDHHAIUSA-N 1 1 265.397 2.984 50 0 CFAAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000003564571 371810152 /nfs/dbraw/zinc/81/01/52/371810152.db2.gz IIFLZZMBZSASCL-SNVBAGLBSA-N 1 1 268.307 2.635 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000003564571 371810162 /nfs/dbraw/zinc/81/01/62/371810162.db2.gz IIFLZZMBZSASCL-SNVBAGLBSA-N 1 1 268.307 2.635 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000007787545 371895084 /nfs/dbraw/zinc/89/50/84/371895084.db2.gz GTAPDXGMOCUFAX-GFCCVEGCSA-N 1 1 274.364 2.560 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000007787545 371895095 /nfs/dbraw/zinc/89/50/95/371895095.db2.gz GTAPDXGMOCUFAX-GFCCVEGCSA-N 1 1 274.364 2.560 50 0 CFAAMO Cn1cc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cn1 ZINC000012708534 371981470 /nfs/dbraw/zinc/98/14/70/371981470.db2.gz OWOCDFIDFLBRSN-MRXNPFEDSA-N 1 1 288.370 2.636 50 0 CFAAMO Cc1cc(C)c(C(N)=O)c(N2CC[C@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000012973953 372003658 /nfs/dbraw/zinc/00/36/58/372003658.db2.gz KVFOLCVQRWYQJH-ZIAGYGMSSA-N 1 1 287.407 2.814 50 0 CFAAMO CC(C)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000012975025 372004750 /nfs/dbraw/zinc/00/47/50/372004750.db2.gz KIGXULOYLWKNIT-UHFFFAOYSA-N 1 1 266.772 2.506 50 0 CFAAMO CC(C)[N@H+](CC(N)=O)Cc1ccc(Cl)c(Cl)c1 ZINC000012984773 372008012 /nfs/dbraw/zinc/00/80/12/372008012.db2.gz LDSJQBFKTXFANF-UHFFFAOYSA-N 1 1 275.179 2.689 50 0 CFAAMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Cl)c(Cl)c1 ZINC000012984773 372008017 /nfs/dbraw/zinc/00/80/17/372008017.db2.gz LDSJQBFKTXFANF-UHFFFAOYSA-N 1 1 275.179 2.689 50 0 CFAAMO COc1ccc(C)cc1C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000016356055 372105414 /nfs/dbraw/zinc/10/54/14/372105414.db2.gz KFIDLBQMWKXPJO-CYBMUJFWSA-N 1 1 292.423 2.739 50 0 CFAAMO COc1ccc(C)cc1C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000016356055 372105418 /nfs/dbraw/zinc/10/54/18/372105418.db2.gz KFIDLBQMWKXPJO-CYBMUJFWSA-N 1 1 292.423 2.739 50 0 CFAAMO CN1CC[N@@H+](Cc2cc3ccccc3s2)CCC1=O ZINC000014882212 372075576 /nfs/dbraw/zinc/07/55/76/372075576.db2.gz VEKIQHJQBKFSAO-UHFFFAOYSA-N 1 1 274.389 2.565 50 0 CFAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+](C)C)o1 ZINC000015860100 372094739 /nfs/dbraw/zinc/09/47/39/372094739.db2.gz UNDQXBDEFAEOTH-CQSZACIVSA-N 1 1 290.338 2.760 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000019108635 372148786 /nfs/dbraw/zinc/14/87/86/372148786.db2.gz RVBGBAJRDDQYCN-SNVBAGLBSA-N 1 1 290.392 2.504 50 0 CFAAMO O=C(c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019372098 372158336 /nfs/dbraw/zinc/15/83/36/372158336.db2.gz VFSAEAGKVBCUNE-UHFFFAOYSA-N 1 1 280.371 2.645 50 0 CFAAMO C[N@H+]1CCCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019536221 372174321 /nfs/dbraw/zinc/17/43/21/372174321.db2.gz MZOJPALXLAQJGI-UHFFFAOYSA-N 1 1 272.314 2.843 50 0 CFAAMO COc1ccc2ccccc2c1C[NH+]1CCOCC1 ZINC000019633286 372177724 /nfs/dbraw/zinc/17/77/24/372177724.db2.gz CDFNIDHQHOUSJE-UHFFFAOYSA-N 1 1 257.333 2.681 50 0 CFAAMO COc1ccc2nc(C3CCC(C[NH3+])CC3)[nH]c2c1 ZINC000019737166 372182593 /nfs/dbraw/zinc/18/25/93/372182593.db2.gz RTSFLODLKBBKJO-UHFFFAOYSA-N 1 1 259.353 2.804 50 0 CFAAMO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000017135695 372127608 /nfs/dbraw/zinc/12/76/08/372127608.db2.gz VDGUYYDRKTUPQS-CZUORRHYSA-N 1 1 277.408 2.775 50 0 CFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC000019782419 372186793 /nfs/dbraw/zinc/18/67/93/372186793.db2.gz XHHIOMZPULJKHL-UHFFFAOYSA-N 1 1 274.408 2.685 50 0 CFAAMO Cc1cc(C)c2[nH]c(C)c(C[NH+]3CCN(C)CC3)c(=O)c2c1 ZINC000019792003 372188235 /nfs/dbraw/zinc/18/82/35/372188235.db2.gz ZMOGKTLOTCEXPX-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO Cc1cc(C)c2[nH]c(C)c(CN3CC[NH+](C)CC3)c(=O)c2c1 ZINC000019792003 372188238 /nfs/dbraw/zinc/18/82/38/372188238.db2.gz ZMOGKTLOTCEXPX-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)C1CC1 ZINC000025054887 372288929 /nfs/dbraw/zinc/28/89/29/372288929.db2.gz MRBWGHJZGIKUDH-CYBMUJFWSA-N 1 1 260.381 2.972 50 0 CFAAMO c1nc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c[nH]1 ZINC000022918463 372248403 /nfs/dbraw/zinc/24/84/03/372248403.db2.gz PHWOIBWHLNICRZ-HNNXBMFYSA-N 1 1 276.428 2.544 50 0 CFAAMO c1ncc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)[nH]1 ZINC000022918463 372248411 /nfs/dbraw/zinc/24/84/11/372248411.db2.gz PHWOIBWHLNICRZ-HNNXBMFYSA-N 1 1 276.428 2.544 50 0 CFAAMO c1ncc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)[nH]1 ZINC000022918463 372248416 /nfs/dbraw/zinc/24/84/16/372248416.db2.gz PHWOIBWHLNICRZ-HNNXBMFYSA-N 1 1 276.428 2.544 50 0 CFAAMO CC(C)[N@H+]1CCN(Cc2ccccc2Cl)C[C@@H]1CCO ZINC000023358723 372258163 /nfs/dbraw/zinc/25/81/63/372258163.db2.gz RPLVKGYENHHYSA-HNNXBMFYSA-N 1 1 296.842 2.617 50 0 CFAAMO Oc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000023652886 372264594 /nfs/dbraw/zinc/26/45/94/372264594.db2.gz OUSDIOGXZFTRLA-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO NC(=O)[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000026162293 372313979 /nfs/dbraw/zinc/31/39/79/372313979.db2.gz CCPKXFZSANQKJU-IAGOWNOFSA-N 1 1 280.371 2.880 50 0 CFAAMO CC(C)[C@@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000026672048 372328153 /nfs/dbraw/zinc/32/81/53/372328153.db2.gz RVHKEXWWQVSKAI-GFCCVEGCSA-N 1 1 260.381 2.794 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@H+]([C@@H](C)C3CC3)C3CC3)nc12 ZINC000029725321 372384180 /nfs/dbraw/zinc/38/41/80/372384180.db2.gz QERJIPJQEDGOJM-ZDUSSCGKSA-N 1 1 297.402 2.766 50 0 CFAAMO O=C1NCCCC[C@H]1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000030007518 372389326 /nfs/dbraw/zinc/38/93/26/372389326.db2.gz HXIDKVWGDWDWKB-MRXNPFEDSA-N 1 1 287.407 2.758 50 0 CFAAMO CC(=O)Nc1ccc(C[NH2+]Cc2nc(C)cs2)cc1 ZINC000030636128 372396293 /nfs/dbraw/zinc/39/62/93/372396293.db2.gz ACKJWHXYPOMWJY-UHFFFAOYSA-N 1 1 275.377 2.700 50 0 CFAAMO COc1ccc(C[NH2+]Cc2nncn2-c2ccccc2)cc1 ZINC000030907989 372401489 /nfs/dbraw/zinc/40/14/89/372401489.db2.gz RGOHNLFHWWOFOR-UHFFFAOYSA-N 1 1 294.358 2.566 50 0 CFAAMO c1ccc(CCCN2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000032517869 372443347 /nfs/dbraw/zinc/44/33/47/372443347.db2.gz WVFUKDMILYTKSV-QGZVFWFLSA-N 1 1 258.409 2.789 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000032753350 372459062 /nfs/dbraw/zinc/45/90/62/372459062.db2.gz ZDIHSIUQMOVKFF-ZDUSSCGKSA-N 1 1 284.359 2.852 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000032753350 372459064 /nfs/dbraw/zinc/45/90/64/372459064.db2.gz ZDIHSIUQMOVKFF-ZDUSSCGKSA-N 1 1 284.359 2.852 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2C)CC[N@@H+](C)[C@@H]1C ZINC000033865025 372502503 /nfs/dbraw/zinc/50/25/03/372502503.db2.gz AVJHHMSHPYWQSR-CZUORRHYSA-N 1 1 261.365 2.868 50 0 CFAAMO FC(F)(F)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034264448 372506370 /nfs/dbraw/zinc/50/63/70/372506370.db2.gz GBBWFNQLKOWTGS-ZDUSSCGKSA-N 1 1 272.314 2.660 50 0 CFAAMO O=C(C[N@@H+]1CCc2ccccc2C1)NCc1ccc(F)cc1 ZINC000034858989 372516660 /nfs/dbraw/zinc/51/66/60/372516660.db2.gz NONISAOOULLKSW-UHFFFAOYSA-N 1 1 298.361 2.500 50 0 CFAAMO O=C(C[N@H+]1CCc2ccccc2C1)NCc1ccc(F)cc1 ZINC000034858989 372516663 /nfs/dbraw/zinc/51/66/63/372516663.db2.gz NONISAOOULLKSW-UHFFFAOYSA-N 1 1 298.361 2.500 50 0 CFAAMO O=C(C[N@@H+]1CCc2ccccc2C1)NC1CCCCCC1 ZINC000035889368 372552399 /nfs/dbraw/zinc/55/23/99/372552399.db2.gz RSPAMOLZIAPYMQ-UHFFFAOYSA-N 1 1 286.419 2.884 50 0 CFAAMO O=C(C[N@H+]1CCc2ccccc2C1)NC1CCCCCC1 ZINC000035889368 372552406 /nfs/dbraw/zinc/55/24/06/372552406.db2.gz RSPAMOLZIAPYMQ-UHFFFAOYSA-N 1 1 286.419 2.884 50 0 CFAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC1CC1 ZINC000036393912 372577532 /nfs/dbraw/zinc/57/75/32/372577532.db2.gz WOMFNEHYNUBXBC-LLVKDONJSA-N 1 1 272.348 2.704 50 0 CFAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC1CC1 ZINC000036393912 372577539 /nfs/dbraw/zinc/57/75/39/372577539.db2.gz WOMFNEHYNUBXBC-LLVKDONJSA-N 1 1 272.348 2.704 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NC1CCCC1 ZINC000036393224 372577624 /nfs/dbraw/zinc/57/76/24/372577624.db2.gz ZHLOWYFADBTFMK-AWEZNQCLSA-N 1 1 278.421 2.944 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NC1CCCC1 ZINC000036393224 372577634 /nfs/dbraw/zinc/57/76/34/372577634.db2.gz ZHLOWYFADBTFMK-AWEZNQCLSA-N 1 1 278.421 2.944 50 0 CFAAMO Cc1cc(NCC(=O)Nc2c(C)cccc2C)nc(C)[nH+]1 ZINC000036395984 372579389 /nfs/dbraw/zinc/57/93/89/372579389.db2.gz HTKSBCPZMRVJEP-UHFFFAOYSA-N 1 1 284.363 2.761 50 0 CFAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000036448893 372580445 /nfs/dbraw/zinc/58/04/45/372580445.db2.gz XWPRXRQVSRXMKZ-NWDGAFQWSA-N 1 1 266.410 2.657 50 0 CFAAMO CC[N@H+]1CC[C@H](CNCc2cc3cccc(OC)c3o2)C1 ZINC000037644469 372682694 /nfs/dbraw/zinc/68/26/94/372682694.db2.gz HLWWWELPILXENL-CYBMUJFWSA-N 1 1 288.391 2.873 50 0 CFAAMO COC(=O)CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000042250521 372896539 /nfs/dbraw/zinc/89/65/39/372896539.db2.gz ZTZAPPUYYRDEME-UHFFFAOYSA-N 1 1 292.198 2.506 50 0 CFAAMO CN(C)C(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000042977072 372970068 /nfs/dbraw/zinc/97/00/68/372970068.db2.gz LJFGIRKGUDJZDU-UHFFFAOYSA-N 1 1 262.397 2.504 50 0 CFAAMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000042977072 372970083 /nfs/dbraw/zinc/97/00/83/372970083.db2.gz LJFGIRKGUDJZDU-UHFFFAOYSA-N 1 1 262.397 2.504 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccccn2)C1 ZINC000047038438 373076385 /nfs/dbraw/zinc/07/63/85/373076385.db2.gz JRGFPHIXLLOLDS-GASCZTMLSA-N 1 1 289.423 2.570 50 0 CFAAMO c1cc2c(cc1[C@H]1CCC[N@@H+]1C[C@@H]1CCOC1)OCCO2 ZINC000047706671 373113659 /nfs/dbraw/zinc/11/36/59/373113659.db2.gz LVSFXYGSZSENNJ-DZGCQCFKSA-N 1 1 289.375 2.631 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C)CCOC(C)(C)C)cc1 ZINC000048301604 373160904 /nfs/dbraw/zinc/16/09/04/373160904.db2.gz NTSCRNUHTNYXMQ-UHFFFAOYSA-N 1 1 278.396 2.680 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000048301604 373160911 /nfs/dbraw/zinc/16/09/11/373160911.db2.gz NTSCRNUHTNYXMQ-UHFFFAOYSA-N 1 1 278.396 2.680 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048309715 373161650 /nfs/dbraw/zinc/16/16/50/373161650.db2.gz YUMWFVUJBZOESC-GFCCVEGCSA-N 1 1 277.393 2.521 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)N1CCCCC1 ZINC000048332884 373163269 /nfs/dbraw/zinc/16/32/69/373163269.db2.gz CSXZNJDZXZUKBB-QGZVFWFLSA-N 1 1 286.419 2.706 50 0 CFAAMO CC1CCN(C(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000048342119 373165304 /nfs/dbraw/zinc/16/53/04/373165304.db2.gz VKFFKQKQHQIJNG-UHFFFAOYSA-N 1 1 252.402 2.509 50 0 CFAAMO OCC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000047958845 373135639 /nfs/dbraw/zinc/13/56/39/373135639.db2.gz MKHNQBLNTKXXJC-UHFFFAOYSA-N 1 1 290.338 2.685 50 0 CFAAMO OCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052453294 373444400 /nfs/dbraw/zinc/44/44/00/373444400.db2.gz PWNYNYKJGXTXOS-CYBMUJFWSA-N 1 1 284.197 2.968 50 0 CFAAMO CCC[N@H+](Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC000052890843 373456819 /nfs/dbraw/zinc/45/68/19/373456819.db2.gz HBIIFVGSBWBYNN-UHFFFAOYSA-N 1 1 261.325 2.952 50 0 CFAAMO CCOC(=O)CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000053399541 373477642 /nfs/dbraw/zinc/47/76/42/373477642.db2.gz XGPDPJDWDBKLNG-LLVKDONJSA-N 1 1 253.367 2.838 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000054226414 373506334 /nfs/dbraw/zinc/50/63/34/373506334.db2.gz QOYMBBLLOHUKCU-BBRMVZONSA-N 1 1 272.392 2.738 50 0 CFAAMO CCc1ccc(C[N@@H+](Cc2ccccn2)[C@H](CC)CO)nc1 ZINC000055283914 373546402 /nfs/dbraw/zinc/54/64/02/373546402.db2.gz ISLFXDADBFEGOX-GOSISDBHSA-N 1 1 299.418 2.812 50 0 CFAAMO CCc1ccc(C[N@H+](Cc2ccccn2)[C@H](CC)CO)nc1 ZINC000055283914 373546410 /nfs/dbraw/zinc/54/64/10/373546410.db2.gz ISLFXDADBFEGOX-GOSISDBHSA-N 1 1 299.418 2.812 50 0 CFAAMO O=Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055345827 373550299 /nfs/dbraw/zinc/55/02/99/373550299.db2.gz BDEPGTDKVXMYQP-UHFFFAOYSA-N 1 1 280.371 2.821 50 0 CFAAMO Cc1ccccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000055543270 373555602 /nfs/dbraw/zinc/55/56/02/373555602.db2.gz FJZUSWVZWLFAMS-UHFFFAOYSA-N 1 1 267.376 2.712 50 0 CFAAMO CCN(CC)C(=O)C[N@H+](C)Cc1cccc2cccnc21 ZINC000055528066 373555877 /nfs/dbraw/zinc/55/58/77/373555877.db2.gz LLEXHYFYCGWEHN-UHFFFAOYSA-N 1 1 285.391 2.535 50 0 CFAAMO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc2cccnc21 ZINC000055528066 373555882 /nfs/dbraw/zinc/55/58/82/373555882.db2.gz LLEXHYFYCGWEHN-UHFFFAOYSA-N 1 1 285.391 2.535 50 0 CFAAMO CCCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000055911029 373560009 /nfs/dbraw/zinc/56/00/09/373560009.db2.gz OYFCCGSWOQTQNM-OAHLLOKOSA-N 1 1 260.381 2.658 50 0 CFAAMO COCCCCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058136295 373627020 /nfs/dbraw/zinc/62/70/20/373627020.db2.gz MSOOMTMGEKRHQK-IYBDPMFKSA-N 1 1 298.471 2.677 50 0 CFAAMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2nccn2C)c1 ZINC000058166273 373629974 /nfs/dbraw/zinc/62/99/74/373629974.db2.gz QYSOZZWCGSSYQN-HNNXBMFYSA-N 1 1 285.391 2.636 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccncc1 ZINC000058215668 373633206 /nfs/dbraw/zinc/63/32/06/373633206.db2.gz YHDNIYALLSYICC-CQSZACIVSA-N 1 1 287.388 2.919 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1ccncc1 ZINC000058215668 373633213 /nfs/dbraw/zinc/63/32/13/373633213.db2.gz YHDNIYALLSYICC-CQSZACIVSA-N 1 1 287.388 2.919 50 0 CFAAMO CC(C)c1csc(NC(=O)C[N@H+](C)C(C)C)n1 ZINC000058316103 373644589 /nfs/dbraw/zinc/64/45/89/373644589.db2.gz RSNFNBGSWFHHCY-UHFFFAOYSA-N 1 1 255.387 2.545 50 0 CFAAMO CC[C@H](C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000065517418 373882746 /nfs/dbraw/zinc/88/27/46/373882746.db2.gz OWOJGFNOMYYRSV-ZDUSSCGKSA-N 1 1 262.397 2.801 50 0 CFAAMO Cc1cccc(C2([NH2+]Cc3nnnn3C3CC3)CCCC2)c1 ZINC000065554153 373887911 /nfs/dbraw/zinc/88/79/11/373887911.db2.gz ZZLJESLTUXFHDK-UHFFFAOYSA-N 1 1 297.406 2.876 50 0 CFAAMO Cc1csc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000065593662 373891534 /nfs/dbraw/zinc/89/15/34/373891534.db2.gz QBBWBQYLHRUIFP-CYBMUJFWSA-N 1 1 288.420 2.730 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1F)c1ccco1 ZINC000065610856 373896274 /nfs/dbraw/zinc/89/62/74/373896274.db2.gz KMGXVPITYNCUDO-ZDUSSCGKSA-N 1 1 294.301 2.591 50 0 CFAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)on1 ZINC000065140735 373846988 /nfs/dbraw/zinc/84/69/88/373846988.db2.gz HKBDFWLQPHQUKP-HIFRSBDPSA-N 1 1 299.374 2.548 50 0 CFAAMO CCc1[nH+]ccn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000065224660 373850572 /nfs/dbraw/zinc/85/05/72/373850572.db2.gz BTALPBPLHHYWBK-UHFFFAOYSA-N 1 1 272.283 2.683 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000065286725 373852233 /nfs/dbraw/zinc/85/22/33/373852233.db2.gz XXADNADAXORJRI-ZDUSSCGKSA-N 1 1 286.379 2.963 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)o1 ZINC000065286725 373852241 /nfs/dbraw/zinc/85/22/41/373852241.db2.gz XXADNADAXORJRI-ZDUSSCGKSA-N 1 1 286.379 2.963 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)o1 ZINC000065286725 373852251 /nfs/dbraw/zinc/85/22/51/373852251.db2.gz XXADNADAXORJRI-ZDUSSCGKSA-N 1 1 286.379 2.963 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+](C)C2)n(-c2cccc(F)c2)n1 ZINC000065380709 373861885 /nfs/dbraw/zinc/86/18/85/373861885.db2.gz STNLELBYSAKUSD-LBPRGKRZSA-N 1 1 274.343 2.524 50 0 CFAAMO Cc1ccsc1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000065466909 373875803 /nfs/dbraw/zinc/87/58/03/373875803.db2.gz XMRZOCJAIOBCOM-AWEZNQCLSA-N 1 1 294.464 2.980 50 0 CFAAMO C[N@H+]1CCC[C@@H](c2nncn2-c2ccccc2Cl)C1 ZINC000067741779 373997349 /nfs/dbraw/zinc/99/73/49/373997349.db2.gz XIMDBASYKJBACP-LLVKDONJSA-N 1 1 276.771 2.730 50 0 CFAAMO CC[N@@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@H]1CCOC1 ZINC000067787157 374001359 /nfs/dbraw/zinc/00/13/59/374001359.db2.gz GNERJNYQJIQYDE-GFCCVEGCSA-N 1 1 291.370 2.603 50 0 CFAAMO CC[N@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@H]1CCOC1 ZINC000067787157 374001366 /nfs/dbraw/zinc/00/13/66/374001366.db2.gz GNERJNYQJIQYDE-GFCCVEGCSA-N 1 1 291.370 2.603 50 0 CFAAMO CC[N@@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@H]1CCOC1 ZINC000067787157 374001375 /nfs/dbraw/zinc/00/13/75/374001375.db2.gz GNERJNYQJIQYDE-GFCCVEGCSA-N 1 1 291.370 2.603 50 0 CFAAMO Cc1ccccc1CSCC[NH2+][C@H]1CCCNC1 ZINC000067817393 374004902 /nfs/dbraw/zinc/00/49/02/374004902.db2.gz LZLYOICKMKAPCO-HNNXBMFYSA-N 1 1 264.438 2.570 50 0 CFAAMO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)nc21 ZINC000067841840 374006053 /nfs/dbraw/zinc/00/60/53/374006053.db2.gz OJBRKXBWAQHBJP-CYBMUJFWSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)nc21 ZINC000067841840 374006062 /nfs/dbraw/zinc/00/60/62/374006062.db2.gz OJBRKXBWAQHBJP-CYBMUJFWSA-N 1 1 295.390 2.974 50 0 CFAAMO CCC[C@H](C)c1nccn1CCC[NH+]1CCOCC1 ZINC000067847786 374009560 /nfs/dbraw/zinc/00/95/60/374009560.db2.gz ZOOZYSXICLOXBO-AWEZNQCLSA-N 1 1 265.401 2.509 50 0 CFAAMO CSC[C@@H](C)[NH2+]CCCc1nc2ccc(F)cc2[nH]1 ZINC000067909047 374015888 /nfs/dbraw/zinc/01/58/88/374015888.db2.gz DIXQPSYLPCASQT-SNVBAGLBSA-N 1 1 281.400 2.976 50 0 CFAAMO C[N@H+]1CCC[C@H](CCNC(=O)C(C)(C)c2ccccc2)C1 ZINC000067435199 373978893 /nfs/dbraw/zinc/97/88/93/373978893.db2.gz FOKWVTLCHXKNQQ-OAHLLOKOSA-N 1 1 288.435 2.812 50 0 CFAAMO CC(C)c1nc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000067490389 373981219 /nfs/dbraw/zinc/98/12/19/373981219.db2.gz SPVWAJFIBDAIPM-LBPRGKRZSA-N 1 1 295.452 2.728 50 0 CFAAMO C[C@H](Cn1cccn1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000069413690 374059560 /nfs/dbraw/zinc/05/95/60/374059560.db2.gz KLZFHBYEAWUJOD-LLVKDONJSA-N 1 1 288.376 2.778 50 0 CFAAMO C[C@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)O1 ZINC000069414146 374059877 /nfs/dbraw/zinc/05/98/77/374059877.db2.gz ZZODWSXVJAQKPB-WFASDCNBSA-N 1 1 259.349 2.570 50 0 CFAAMO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3Cn3cccn3)cn21 ZINC000069653635 374083170 /nfs/dbraw/zinc/08/31/70/374083170.db2.gz FFROQXMYIAJEJK-MRXNPFEDSA-N 1 1 295.390 2.504 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CCc2ccncc2)n1 ZINC000069920704 374110124 /nfs/dbraw/zinc/11/01/24/374110124.db2.gz WJZMXNMLQARXMN-KRWDZBQOSA-N 1 1 284.407 2.602 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069949412 374111361 /nfs/dbraw/zinc/11/13/61/374111361.db2.gz VIQGEPDFWXWTDW-OAHLLOKOSA-N 1 1 289.354 2.695 50 0 CFAAMO C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069929882 374112580 /nfs/dbraw/zinc/11/25/80/374112580.db2.gz BJSMNHLRNRSLEO-NVXWUHKLSA-N 1 1 284.407 2.764 50 0 CFAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000070020984 374117525 /nfs/dbraw/zinc/11/75/25/374117525.db2.gz PIPWJUQTLLYDKF-IOMDMTNGSA-N 1 1 282.391 2.704 50 0 CFAAMO c1ccc2nc(C[N@H+]3CCCC[C@H]3C3OCCO3)ccc2c1 ZINC000069669705 374085936 /nfs/dbraw/zinc/08/59/36/374085936.db2.gz MWLLYFKNYZPCRQ-KRWDZBQOSA-N 1 1 298.386 2.962 50 0 CFAAMO Cc1cccc(NCCNc2nccc(C(F)(F)F)n2)[nH+]1 ZINC000069701910 374087565 /nfs/dbraw/zinc/08/75/65/374087565.db2.gz KMRHDLDUANFWDB-UHFFFAOYSA-N 1 1 297.284 2.723 50 0 CFAAMO CCC(CC)NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701449 374087579 /nfs/dbraw/zinc/08/75/79/374087579.db2.gz LVBOKVLJGORWTE-HNNXBMFYSA-N 1 1 274.408 2.781 50 0 CFAAMO C[N@H+]1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000069738410 374091379 /nfs/dbraw/zinc/09/13/79/374091379.db2.gz IADSQAKOTPHBKK-MRXNPFEDSA-N 1 1 298.386 2.760 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000069742466 374093019 /nfs/dbraw/zinc/09/30/19/374093019.db2.gz JEBAJKCGJLBGLD-SFHVURJKSA-N 1 1 298.434 2.992 50 0 CFAAMO Cc1occc1C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000069770576 374095818 /nfs/dbraw/zinc/09/58/18/374095818.db2.gz JAEAPDBLBPCGLP-CYBMUJFWSA-N 1 1 273.336 2.570 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccco2)C1 ZINC000069772969 374096425 /nfs/dbraw/zinc/09/64/25/374096425.db2.gz QKMYYTBTTCQNGD-ILXRZTDVSA-N 1 1 299.374 2.752 50 0 CFAAMO O=C1OCCN1CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000071915032 374231643 /nfs/dbraw/zinc/23/16/43/374231643.db2.gz LBRUVZIIANTLCC-ZDUSSCGKSA-N 1 1 278.352 2.649 50 0 CFAAMO C[N@H+](Cc1ccoc1)C[C@H]1CC[C@@H](Cc2cccnc2)O1 ZINC000072472901 374255015 /nfs/dbraw/zinc/25/50/15/374255015.db2.gz KBXBCGBAQBQHAD-DLBZAZTESA-N 1 1 286.375 2.897 50 0 CFAAMO CC[C@](C)(NCC[NH+]1CCCCC1)c1nccs1 ZINC000072684961 374276229 /nfs/dbraw/zinc/27/62/29/374276229.db2.gz KRJMFBPHUWSJSW-AWEZNQCLSA-N 1 1 267.442 2.844 50 0 CFAAMO CCOc1ccc(C[N@H+](C)CN2C(=O)C[C@@H](C)[C@H]2C)cc1 ZINC000072312367 374243637 /nfs/dbraw/zinc/24/36/37/374243637.db2.gz HEKDFCSZXXVXOC-ZIAGYGMSSA-N 1 1 290.407 2.732 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)CN2C(=O)C[C@@H](C)[C@H]2C)cc1 ZINC000072312367 374243648 /nfs/dbraw/zinc/24/36/48/374243648.db2.gz HEKDFCSZXXVXOC-ZIAGYGMSSA-N 1 1 290.407 2.732 50 0 CFAAMO C[C@@H]1C[N@H+](CCc2ncc(-c3ccccc3)o2)C[C@H](C)O1 ZINC000072956783 374306831 /nfs/dbraw/zinc/30/68/31/374306831.db2.gz IPPPYCCABGAVGF-OKILXGFUSA-N 1 1 286.375 2.993 50 0 CFAAMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000074941762 374448770 /nfs/dbraw/zinc/44/87/70/374448770.db2.gz JOBKOZLEEYGNFR-ZDUSSCGKSA-N 1 1 287.281 2.614 50 0 CFAAMO Cc1ccc(CNC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000075108161 374458174 /nfs/dbraw/zinc/45/81/74/374458174.db2.gz WYKJSJVDKIXQCZ-CQSZACIVSA-N 1 1 274.408 2.732 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000075131868 374459636 /nfs/dbraw/zinc/45/96/36/374459636.db2.gz YOUSWEFISQGCST-QGZVFWFLSA-N 1 1 284.407 2.950 50 0 CFAAMO COc1ccc(CC[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000075118807 374459754 /nfs/dbraw/zinc/45/97/54/374459754.db2.gz SGNCLPWYVXMWAZ-INIZCTEOSA-N 1 1 299.418 2.851 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CC[C@H](CSc3ccccc3)C2)C(=O)O1 ZINC000075965025 374515084 /nfs/dbraw/zinc/51/50/84/374515084.db2.gz OKRJPCYAESQDOJ-IPYPFGDCSA-N 1 1 291.416 2.805 50 0 CFAAMO Cc1cnc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cn1 ZINC000079014150 374582473 /nfs/dbraw/zinc/58/24/73/374582473.db2.gz YIMYFPIOJOCEGQ-SFHVURJKSA-N 1 1 296.418 2.886 50 0 CFAAMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccccc2)cc1 ZINC000079091219 374594511 /nfs/dbraw/zinc/59/45/11/374594511.db2.gz WXAJABABIRSYGO-KRWDZBQOSA-N 1 1 271.360 2.861 50 0 CFAAMO CC[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1c1ccccc1 ZINC000084736442 374789756 /nfs/dbraw/zinc/78/97/56/374789756.db2.gz LZQBVWKWBCVNTA-WBVHZDCISA-N 1 1 284.407 2.794 50 0 CFAAMO C[N@H+](Cc1ccccc1)Cn1c2ccccc2nc1CO ZINC000089361426 374896571 /nfs/dbraw/zinc/89/65/71/374896571.db2.gz XKFPLQHXZHVVAY-UHFFFAOYSA-N 1 1 281.359 2.618 50 0 CFAAMO COC(=O)c1cccc(C[N@H+](C)Cc2cccnc2)c1 ZINC000089361067 374896641 /nfs/dbraw/zinc/89/66/41/374896641.db2.gz DCYUULIFKPWEQO-UHFFFAOYSA-N 1 1 270.332 2.500 50 0 CFAAMO COC(=O)c1cccc(C[N@@H+](C)Cc2cccnc2)c1 ZINC000089361067 374896645 /nfs/dbraw/zinc/89/66/45/374896645.db2.gz DCYUULIFKPWEQO-UHFFFAOYSA-N 1 1 270.332 2.500 50 0 CFAAMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc(F)c1)NC1CC1 ZINC000088536834 374850835 /nfs/dbraw/zinc/85/08/35/374850835.db2.gz NMGDZQGPKDIHHF-GOSISDBHSA-N 1 1 298.361 2.783 50 0 CFAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1occc1-c1ccccc1 ZINC000089938285 374973542 /nfs/dbraw/zinc/97/35/42/374973542.db2.gz RKRVDGWWBGAYFO-CYBMUJFWSA-N 1 1 284.359 2.723 50 0 CFAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1occc1-c1ccccc1 ZINC000089938285 374973550 /nfs/dbraw/zinc/97/35/50/374973550.db2.gz RKRVDGWWBGAYFO-CYBMUJFWSA-N 1 1 284.359 2.723 50 0 CFAAMO Cc1ccc(O)c(C[N@H+](C)[C@@H](CCO)c2ccccc2)n1 ZINC000093442404 375239391 /nfs/dbraw/zinc/23/93/91/375239391.db2.gz XAQKQRQJZFAHJK-INIZCTEOSA-N 1 1 286.375 2.651 50 0 CFAAMO c1nc2ccccn2c1C[N@H+](Cc1ccncc1)C1CC1 ZINC000093222084 375197581 /nfs/dbraw/zinc/19/75/81/375197581.db2.gz QTMXLEJSUFZPDA-UHFFFAOYSA-N 1 1 278.359 2.894 50 0 CFAAMO c1nc2ccccn2c1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000093222084 375197590 /nfs/dbraw/zinc/19/75/90/375197590.db2.gz QTMXLEJSUFZPDA-UHFFFAOYSA-N 1 1 278.359 2.894 50 0 CFAAMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322564 375211016 /nfs/dbraw/zinc/21/10/16/375211016.db2.gz XZSCDPMBMFSXDX-LSDHHAIUSA-N 1 1 279.428 2.764 50 0 CFAAMO CCCn1c2ccccc2nc1C[N@@H+](C)C[C@H]1CCOC1 ZINC000093839860 375318529 /nfs/dbraw/zinc/31/85/29/375318529.db2.gz AMBIBMSRWSXHIZ-CQSZACIVSA-N 1 1 287.407 2.915 50 0 CFAAMO C[N@H+](Cc1c(F)cccc1N1CCCC1)C[C@@H]1CCOC1 ZINC000093840394 375321162 /nfs/dbraw/zinc/32/11/62/375321162.db2.gz OSCBFSJMKVPAIL-AWEZNQCLSA-N 1 1 292.398 2.894 50 0 CFAAMO COc1ccc(C[N@@H+](C)C[C@H]2CCOC2)c(Cl)c1OC ZINC000093840393 375321319 /nfs/dbraw/zinc/32/13/19/375321319.db2.gz XVXZZGSGJDRYEP-LLVKDONJSA-N 1 1 299.798 2.826 50 0 CFAAMO Cc1n[nH]cc1CCCNc1cc[nH+]cc1Cl ZINC000094266952 375349421 /nfs/dbraw/zinc/34/94/21/375349421.db2.gz QAUSLXMLMJNAAA-UHFFFAOYSA-N 1 1 250.733 2.811 50 0 CFAAMO Cn1cc(CC[N@@H+](C)C[C@H]2CCOc3ccccc3C2)cn1 ZINC000095499170 375461451 /nfs/dbraw/zinc/46/14/51/375461451.db2.gz CNWUYJRDXZWHMT-HNNXBMFYSA-N 1 1 299.418 2.536 50 0 CFAAMO CC(C)C[NH+]1CCC(N[C@@H](C)c2cccc(CO)c2)CC1 ZINC000095988798 375467130 /nfs/dbraw/zinc/46/71/30/375467130.db2.gz JXSHDVAQRAFKTB-HNNXBMFYSA-N 1 1 290.451 2.950 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](Cn2ccc3ccccc3c2=O)C1 ZINC000095361529 375419619 /nfs/dbraw/zinc/41/96/19/375419619.db2.gz KMXNKNDHTJTGEH-AWEZNQCLSA-N 1 1 270.376 2.732 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1Cc2ccccc2C1 ZINC000095367460 375421198 /nfs/dbraw/zinc/42/11/98/375421198.db2.gz IZRRRNDFMCXVOT-MRXNPFEDSA-N 1 1 272.392 2.793 50 0 CFAAMO Cc1ccnc(NC[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000095379544 375425359 /nfs/dbraw/zinc/42/53/59/375425359.db2.gz LROQWWVHGZZQMA-AWEZNQCLSA-N 1 1 274.412 2.852 50 0 CFAAMO Cc1cc(=O)c2ccccc2n1C[C@@H]1CCC[N@H+](C)C1 ZINC000095375879 375425830 /nfs/dbraw/zinc/42/58/30/375425830.db2.gz POBBLMCKHYOUPP-CQSZACIVSA-N 1 1 270.376 2.652 50 0 CFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(C)c1)C2 ZINC000095385283 375426730 /nfs/dbraw/zinc/42/67/30/375426730.db2.gz HUIQYSNBFCDKAG-NVXWUHKLSA-N 1 1 286.419 2.941 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc(F)cc1 ZINC000095383658 375427320 /nfs/dbraw/zinc/42/73/20/375427320.db2.gz YDKDZVNTIFLHQY-INIZCTEOSA-N 1 1 292.398 2.749 50 0 CFAAMO CCc1nc(C)c(CNc2nc(N)[nH+]cc2CC)s1 ZINC000095389574 375428668 /nfs/dbraw/zinc/42/86/68/375428668.db2.gz QEWKCDMPTIIIKM-UHFFFAOYSA-N 1 1 277.397 2.561 50 0 CFAAMO CCn1cnnc1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000095420378 375441370 /nfs/dbraw/zinc/44/13/70/375441370.db2.gz BQWBVDMVRLJQFZ-CYBMUJFWSA-N 1 1 258.369 2.766 50 0 CFAAMO CC[NH+](CC)C[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000095431671 375446781 /nfs/dbraw/zinc/44/67/81/375446781.db2.gz XBGBABYWGPVGGP-PVAVHDDUSA-N 1 1 276.424 2.837 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1cnn(C)c1 ZINC000095451035 375455341 /nfs/dbraw/zinc/45/53/41/375455341.db2.gz DQPRTEYPJSEVEG-ZJUUUORDSA-N 1 1 276.409 2.777 50 0 CFAAMO COc1cc(OC)cc([C@H](O)CNc2cccc(C)[nH+]2)c1 ZINC000097163313 375535016 /nfs/dbraw/zinc/53/50/16/375535016.db2.gz HTBOQRASTXQNTP-OAHLLOKOSA-N 1 1 288.347 2.553 50 0 CFAAMO Cn1ccnc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000096452016 375486693 /nfs/dbraw/zinc/48/66/93/375486693.db2.gz KHDXPELNIACMRY-MRXNPFEDSA-N 1 1 284.407 2.521 50 0 CFAAMO Cn1ccnc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000096452016 375486701 /nfs/dbraw/zinc/48/67/01/375486701.db2.gz KHDXPELNIACMRY-MRXNPFEDSA-N 1 1 284.407 2.521 50 0 CFAAMO CC(C)[N@@H+]1Cc2cccc(NC(=O)c3cnns3)c2C1 ZINC000096502608 375489695 /nfs/dbraw/zinc/48/96/95/375489695.db2.gz QDHZCKVBGHRVDC-UHFFFAOYSA-N 1 1 288.376 2.514 50 0 CFAAMO CC(C)[N@H+]1Cc2cccc(NC(=O)c3cnns3)c2C1 ZINC000096502608 375489704 /nfs/dbraw/zinc/48/97/04/375489704.db2.gz QDHZCKVBGHRVDC-UHFFFAOYSA-N 1 1 288.376 2.514 50 0 CFAAMO O=C(CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000097045783 375499602 /nfs/dbraw/zinc/49/96/02/375499602.db2.gz WHVVKDCXCLTFGU-PBHICJAKSA-N 1 1 291.366 2.899 50 0 CFAAMO Cc1nc(C)c(C[N@@H+](C)CCc2ccncc2)s1 ZINC000097235629 375544087 /nfs/dbraw/zinc/54/40/87/375544087.db2.gz CVFLBQWHGDMYFY-UHFFFAOYSA-N 1 1 261.394 2.829 50 0 CFAAMO CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000097101251 375517989 /nfs/dbraw/zinc/51/79/89/375517989.db2.gz KIYZBSIFXLCOIH-CVEARBPZSA-N 1 1 279.424 2.860 50 0 CFAAMO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000097101725 375518366 /nfs/dbraw/zinc/51/83/66/375518366.db2.gz VPYATQONFUMORV-ZJUUUORDSA-N 1 1 288.317 2.893 50 0 CFAAMO Cc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)c(C)o1 ZINC000097113603 375524644 /nfs/dbraw/zinc/52/46/44/375524644.db2.gz JNASTNWOTBXVNU-UHFFFAOYSA-N 1 1 285.391 2.609 50 0 CFAAMO c1cc2ncc(C[N@@H+]3CCCC4(C3)OCCO4)cc2s1 ZINC000097139109 375527237 /nfs/dbraw/zinc/52/72/37/375527237.db2.gz WWFXIFUZPXZBJG-UHFFFAOYSA-N 1 1 290.388 2.635 50 0 CFAAMO c1cc2ncc(C[N@H+]3CCCC4(C3)OCCO4)cc2s1 ZINC000097139109 375527243 /nfs/dbraw/zinc/52/72/43/375527243.db2.gz WWFXIFUZPXZBJG-UHFFFAOYSA-N 1 1 290.388 2.635 50 0 CFAAMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccnc2)n1 ZINC000097375297 375553844 /nfs/dbraw/zinc/55/38/44/375553844.db2.gz XYXPHUUDZGWKIF-GFCCVEGCSA-N 1 1 257.337 2.684 50 0 CFAAMO Cc1cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)no1 ZINC000097378399 375557156 /nfs/dbraw/zinc/55/71/56/375557156.db2.gz TZOBIOFFNNEGJC-CYBMUJFWSA-N 1 1 291.420 2.923 50 0 CFAAMO CSc1ccc(C[N@H+](C)Cc2cnccn2)cc1 ZINC000097495480 375566915 /nfs/dbraw/zinc/56/69/15/375566915.db2.gz ZMVZUKYUDSCHTD-UHFFFAOYSA-N 1 1 259.378 2.831 50 0 CFAAMO CSc1ccc(C[N@@H+](C)Cc2cnccn2)cc1 ZINC000097495480 375566918 /nfs/dbraw/zinc/56/69/18/375566918.db2.gz ZMVZUKYUDSCHTD-UHFFFAOYSA-N 1 1 259.378 2.831 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000097578661 375568573 /nfs/dbraw/zinc/56/85/73/375568573.db2.gz DLICXYKBBMAWGX-CYBMUJFWSA-N 1 1 298.789 2.970 50 0 CFAAMO O=C1CCCN1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000097632194 375575035 /nfs/dbraw/zinc/57/50/35/375575035.db2.gz MSRGJIVBAJETFV-UHFFFAOYSA-N 1 1 294.345 2.552 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000097632176 375575302 /nfs/dbraw/zinc/57/53/02/375575302.db2.gz WTNMVVLCRUADJR-YOEHRIQHSA-N 1 1 293.382 2.961 50 0 CFAAMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1F ZINC000097674451 375577389 /nfs/dbraw/zinc/57/73/89/375577389.db2.gz VHKLTFRWXDCWDQ-ZDUSSCGKSA-N 1 1 267.344 2.835 50 0 CFAAMO C(=C\c1ccccc1)\C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000101138708 375633748 /nfs/dbraw/zinc/63/37/48/375633748.db2.gz PIPWJUQTLLYDKF-LYLYKKCESA-N 1 1 282.391 2.704 50 0 CFAAMO CC[N@@H+](CCNC(=O)c1occc1C)CCC(F)(F)F ZINC000170612930 379128568 /nfs/dbraw/zinc/12/85/68/379128568.db2.gz HLSBUINUOCEMDA-UHFFFAOYSA-N 1 1 292.301 2.592 50 0 CFAAMO CCc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)sc1C ZINC000335369609 379175086 /nfs/dbraw/zinc/17/50/86/379175086.db2.gz DANSFLODBXBXOK-JQWIXIFHSA-N 1 1 252.383 2.550 50 0 CFAAMO CCc1ccc([C@@H](COC)[NH2+]Cc2cnc3ccccn23)o1 ZINC000174476249 379894133 /nfs/dbraw/zinc/89/41/33/379894133.db2.gz NOPNPDFCENWJMO-OAHLLOKOSA-N 1 1 299.374 2.967 50 0 CFAAMO CC(C)[N@H+]1CCCN(CC[C@H](O)c2ccccc2)CC1 ZINC000290395554 381413501 /nfs/dbraw/zinc/41/35/01/381413501.db2.gz SPTMPKYHHIMRPQ-KRWDZBQOSA-N 1 1 276.424 2.526 50 0 CFAAMO CC(C)N1CCC[N@H+](CC[C@H](O)c2ccccc2)CC1 ZINC000290395554 381413508 /nfs/dbraw/zinc/41/35/08/381413508.db2.gz SPTMPKYHHIMRPQ-KRWDZBQOSA-N 1 1 276.424 2.526 50 0 CFAAMO CC(C)N1CCC[N@@H+](CC[C@H](O)c2ccccc2)CC1 ZINC000290395554 381413514 /nfs/dbraw/zinc/41/35/14/381413514.db2.gz SPTMPKYHHIMRPQ-KRWDZBQOSA-N 1 1 276.424 2.526 50 0 CFAAMO Cc1oncc1C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000185152174 381547196 /nfs/dbraw/zinc/54/71/96/381547196.db2.gz PGWKYCBBEYCLII-UHFFFAOYSA-N 1 1 271.364 2.614 50 0 CFAAMO CO[C@@H](C)C[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000348834889 381729965 /nfs/dbraw/zinc/72/99/65/381729965.db2.gz RKMXTKGQZPSXJD-LBPRGKRZSA-N 1 1 263.381 2.867 50 0 CFAAMO C[C@H](C[NH3+])Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000299781795 382045402 /nfs/dbraw/zinc/04/54/02/382045402.db2.gz WLYWWVVWXSTJRO-CYBMUJFWSA-N 1 1 274.364 2.638 50 0 CFAAMO CCC[C@@]1(CO)CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000344228024 382213690 /nfs/dbraw/zinc/21/36/90/382213690.db2.gz BASDVMNFSCBISJ-QGZVFWFLSA-N 1 1 293.407 2.559 50 0 CFAAMO Cc1cc(NC(=O)c2ccn(C(C)C)n2)cn2cc[nH+]c12 ZINC000293869138 382314343 /nfs/dbraw/zinc/31/43/43/382314343.db2.gz JZMGJMNHFADJPY-UHFFFAOYSA-N 1 1 283.335 2.672 50 0 CFAAMO Cn1cc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cn1 ZINC000328587768 382550385 /nfs/dbraw/zinc/55/03/85/382550385.db2.gz HMUOFNAMFODDHH-KMFMINBZSA-N 1 1 289.423 2.590 50 0 CFAAMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nnc(C)o2)c1 ZINC000328587300 382550546 /nfs/dbraw/zinc/55/05/46/382550546.db2.gz XZAVMWHTUYPXKU-ABAIWWIYSA-N 1 1 287.363 2.970 50 0 CFAAMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nnc(C)o2)c1 ZINC000328587300 382550548 /nfs/dbraw/zinc/55/05/48/382550548.db2.gz XZAVMWHTUYPXKU-ABAIWWIYSA-N 1 1 287.363 2.970 50 0 CFAAMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189064874 382535509 /nfs/dbraw/zinc/53/55/09/382535509.db2.gz KKFWPVCYMJOURP-JTQLQIEISA-N 1 1 284.762 2.567 50 0 CFAAMO FC(F)COCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000189533398 382621505 /nfs/dbraw/zinc/62/15/05/382621505.db2.gz DFNTVXLDZGQFEA-QWRGUYRKSA-N 1 1 265.369 2.628 50 0 CFAAMO COc1cnccc1[C@@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000189566510 382625129 /nfs/dbraw/zinc/62/51/29/382625129.db2.gz VZNWJMCIJGHAPS-GFCCVEGCSA-N 1 1 274.368 2.718 50 0 CFAAMO Cc1cnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 ZINC000192144792 382705123 /nfs/dbraw/zinc/70/51/23/382705123.db2.gz RLWKNRFZBKMYTE-HIFRSBDPSA-N 1 1 294.301 2.881 50 0 CFAAMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000191050205 382689174 /nfs/dbraw/zinc/68/91/74/382689174.db2.gz OZHFYBVNJNQYPR-NUEKZKHPSA-N 1 1 297.464 2.630 50 0 CFAAMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000215182244 382777828 /nfs/dbraw/zinc/77/78/28/382777828.db2.gz YEVQACRKHGPFLM-CYBMUJFWSA-N 1 1 274.389 2.612 50 0 CFAAMO CCSc1ncc(C[N@H+]2CCCC[C@H]2CCOC)cn1 ZINC000215518683 382778911 /nfs/dbraw/zinc/77/89/11/382778911.db2.gz IPSNKOFKEJBSJZ-AWEZNQCLSA-N 1 1 295.452 2.980 50 0 CFAAMO CSCCC[N@H+]1CC[C@@](O)(c2ccccc2C)C1 ZINC000215715324 382780211 /nfs/dbraw/zinc/78/02/11/382780211.db2.gz KBMXRINUYCCGLW-HNNXBMFYSA-N 1 1 265.422 2.641 50 0 CFAAMO CC[C@@H](c1ccccn1)[N@H+](C)Cc1cnn(C)c1C ZINC000215730534 382780240 /nfs/dbraw/zinc/78/02/40/382780240.db2.gz IPYJICMZFQXSMM-HNNXBMFYSA-N 1 1 258.369 2.707 50 0 CFAAMO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1cnn(C)c1C ZINC000215730534 382780243 /nfs/dbraw/zinc/78/02/43/382780243.db2.gz IPYJICMZFQXSMM-HNNXBMFYSA-N 1 1 258.369 2.707 50 0 CFAAMO CCOc1ccc(C[N@H+](C)Cc2cc(C)no2)cc1CO ZINC000215667898 382780403 /nfs/dbraw/zinc/78/04/03/382780403.db2.gz NMIAXQCMONMZMK-UHFFFAOYSA-N 1 1 290.363 2.506 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1CO ZINC000215667898 382780406 /nfs/dbraw/zinc/78/04/06/382780406.db2.gz NMIAXQCMONMZMK-UHFFFAOYSA-N 1 1 290.363 2.506 50 0 CFAAMO Cc1nccn1CC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000215837172 382780947 /nfs/dbraw/zinc/78/09/47/382780947.db2.gz AGEXNNVHENSWQQ-CQSZACIVSA-N 1 1 257.381 2.927 50 0 CFAAMO CCSc1ncc(C[N@H+](C)C[C@H]2CCCCO2)cn1 ZINC000215972507 382781362 /nfs/dbraw/zinc/78/13/62/382781362.db2.gz VRTRFCORLDNKHT-CYBMUJFWSA-N 1 1 281.425 2.590 50 0 CFAAMO CCSc1ncc(C[N@@H+](C)C[C@H]2CCCCO2)cn1 ZINC000215972507 382781363 /nfs/dbraw/zinc/78/13/63/382781363.db2.gz VRTRFCORLDNKHT-CYBMUJFWSA-N 1 1 281.425 2.590 50 0 CFAAMO Cc1cc(C)nc(C[N@@H+](C)Cc2ccc(N(C)C)nc2)c1 ZINC000216012154 382781692 /nfs/dbraw/zinc/78/16/92/382781692.db2.gz MZJIRMWDPSKNQT-UHFFFAOYSA-N 1 1 284.407 2.791 50 0 CFAAMO Cc1cc(C)nc(C[N@H+](C)Cc2ccc(N(C)C)nc2)c1 ZINC000216012154 382781696 /nfs/dbraw/zinc/78/16/96/382781696.db2.gz MZJIRMWDPSKNQT-UHFFFAOYSA-N 1 1 284.407 2.791 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+](C)C[C@@H]2COCCO2)s1 ZINC000216257101 382782397 /nfs/dbraw/zinc/78/23/97/382782397.db2.gz VCQODIKTFMSTJR-CYBMUJFWSA-N 1 1 283.437 2.794 50 0 CFAAMO Cc1n[nH]cc1C[N@H+](C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000216268912 382782632 /nfs/dbraw/zinc/78/26/32/382782632.db2.gz JTQLQUOSLUMSJG-UHFFFAOYSA-N 1 1 296.374 2.500 50 0 CFAAMO Fc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000216243753 382782766 /nfs/dbraw/zinc/78/27/66/382782766.db2.gz FQUIOPMFJHNRSN-UHFFFAOYSA-N 1 1 291.395 2.995 50 0 CFAAMO Fc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000216243753 382782768 /nfs/dbraw/zinc/78/27/68/382782768.db2.gz FQUIOPMFJHNRSN-UHFFFAOYSA-N 1 1 291.395 2.995 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCc2scnc2C)cn1 ZINC000216395139 382783172 /nfs/dbraw/zinc/78/31/72/382783172.db2.gz FNOHGERDYHXPOP-UHFFFAOYSA-N 1 1 277.393 2.530 50 0 CFAAMO C[C@H]1CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC000221673902 382798802 /nfs/dbraw/zinc/79/88/02/382798802.db2.gz DQHSJIVPVKQOSD-STQMWFEESA-N 1 1 270.417 2.879 50 0 CFAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)[C@@H]3CCN(C)C3)c2)n1 ZINC000223841748 382807176 /nfs/dbraw/zinc/80/71/76/382807176.db2.gz GCAZFWWSFPTLBS-GOSISDBHSA-N 1 1 298.434 2.625 50 0 CFAAMO Cc1cc(C)n(-c2cccc(CN(C)[C@@H]3CC[N@H+](C)C3)c2)n1 ZINC000223841748 382807177 /nfs/dbraw/zinc/80/71/77/382807177.db2.gz GCAZFWWSFPTLBS-GOSISDBHSA-N 1 1 298.434 2.625 50 0 CFAAMO Cc1cc(C)n(-c2cccc(CN(C)[C@@H]3CC[N@@H+](C)C3)c2)n1 ZINC000223841748 382807180 /nfs/dbraw/zinc/80/71/80/382807180.db2.gz GCAZFWWSFPTLBS-GOSISDBHSA-N 1 1 298.434 2.625 50 0 CFAAMO OC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccco1 ZINC000225409114 382815491 /nfs/dbraw/zinc/81/54/91/382815491.db2.gz PTENHXUVFIIBLG-ZIAGYGMSSA-N 1 1 273.332 2.686 50 0 CFAAMO C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452621 382816238 /nfs/dbraw/zinc/81/62/38/382816238.db2.gz DCGRQDZZIZJCAL-CYBMUJFWSA-N 1 1 257.736 2.683 50 0 CFAAMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452621 382816239 /nfs/dbraw/zinc/81/62/39/382816239.db2.gz DCGRQDZZIZJCAL-CYBMUJFWSA-N 1 1 257.736 2.683 50 0 CFAAMO C[C@@H]1CCC[C@H](OC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000225460365 382816353 /nfs/dbraw/zinc/81/63/53/382816353.db2.gz LZQVCOLQHITPFC-AGIUHOORSA-N 1 1 271.426 2.546 50 0 CFAAMO C[C@@H]1CCC[C@H](OC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000225460365 382816355 /nfs/dbraw/zinc/81/63/55/382816355.db2.gz LZQVCOLQHITPFC-AGIUHOORSA-N 1 1 271.426 2.546 50 0 CFAAMO CC(C)=CCN1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000229375949 382851292 /nfs/dbraw/zinc/85/12/92/382851292.db2.gz CXGMBLZHGUTSOL-FUHWJXTLSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@@H+]1CCN(C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000229375949 382851294 /nfs/dbraw/zinc/85/12/94/382851294.db2.gz CXGMBLZHGUTSOL-FUHWJXTLSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@H+]1CCN(C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000229375949 382851295 /nfs/dbraw/zinc/85/12/95/382851295.db2.gz CXGMBLZHGUTSOL-FUHWJXTLSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](C)c2ccc(F)cc2)C1 ZINC000230310575 382859159 /nfs/dbraw/zinc/85/91/59/382859159.db2.gz PJWBEXXTLAOJEG-ZFWWWQNUSA-N 1 1 292.398 2.729 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(Cl)s1 ZINC000240465848 382982616 /nfs/dbraw/zinc/98/26/16/382982616.db2.gz GASUSFSUFUOXLM-VXGBXAGGSA-N 1 1 285.844 2.855 50 0 CFAAMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCn2ccnc2)c1 ZINC000241316693 382983679 /nfs/dbraw/zinc/98/36/79/382983679.db2.gz LUBNCXLQDUSJGG-YOEHRIQHSA-N 1 1 285.391 2.975 50 0 CFAAMO COc1ccnc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000242263327 382985544 /nfs/dbraw/zinc/98/55/44/382985544.db2.gz XYDZNKOYWHVPKB-GOSISDBHSA-N 1 1 297.402 2.579 50 0 CFAAMO CC[N@@H+](Cc1nc2cc(C)ccc2[nH]1)[C@@H]1CCCC[C@H]1O ZINC000244716200 382991890 /nfs/dbraw/zinc/99/18/90/382991890.db2.gz LKMDFDRLGQTGPD-HZPDHXFCSA-N 1 1 287.407 2.997 50 0 CFAAMO CC[N@H+](Cc1nc2ccc(C)cc2[nH]1)[C@@H]1CCCC[C@H]1O ZINC000244716200 382991893 /nfs/dbraw/zinc/99/18/93/382991893.db2.gz LKMDFDRLGQTGPD-HZPDHXFCSA-N 1 1 287.407 2.997 50 0 CFAAMO CC[N@@H+](Cc1nc2ccc(C)cc2[nH]1)[C@@H]1CCCC[C@H]1O ZINC000244716200 382991898 /nfs/dbraw/zinc/99/18/98/382991898.db2.gz LKMDFDRLGQTGPD-HZPDHXFCSA-N 1 1 287.407 2.997 50 0 CFAAMO CC[C@H](c1ccccn1)[N@@H+](C)CCn1nccc1C ZINC000244774116 382993403 /nfs/dbraw/zinc/99/34/03/382993403.db2.gz POFYQBIKEHNRNO-OAHLLOKOSA-N 1 1 258.369 2.670 50 0 CFAAMO C([C@@H]1CCC[N@H+]1C[C@H]1CCCCO1)N1CCCCC1 ZINC000247903114 383199388 /nfs/dbraw/zinc/19/93/88/383199388.db2.gz JDBPKYNBHDYTNL-JKSUJKDBSA-N 1 1 266.429 2.506 50 0 CFAAMO C([C@@H]1CCCN1C[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC000247903114 383199392 /nfs/dbraw/zinc/19/93/92/383199392.db2.gz JDBPKYNBHDYTNL-JKSUJKDBSA-N 1 1 266.429 2.506 50 0 CFAAMO Cc1csc(N2CC[N@H+](C[C@H]3CCCCO3)C[C@@H]2C)n1 ZINC000247972375 383203554 /nfs/dbraw/zinc/20/35/54/383203554.db2.gz SWXIVJQPSWWEPU-UONOGXRCSA-N 1 1 295.452 2.531 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1csc(C)n1 ZINC000248035821 383207885 /nfs/dbraw/zinc/20/78/85/383207885.db2.gz NFJSSGZFRBMIKB-ZIAGYGMSSA-N 1 1 293.436 2.540 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1cccs1 ZINC000248155296 383215986 /nfs/dbraw/zinc/21/59/86/383215986.db2.gz VKCZSOYHFAWKHT-LSDHHAIUSA-N 1 1 292.448 2.766 50 0 CFAAMO C[C@@H](CC[N@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000249038660 383319136 /nfs/dbraw/zinc/31/91/36/383319136.db2.gz TZSPGXPYHXCEHE-FUHWJXTLSA-N 1 1 288.435 2.587 50 0 CFAAMO OCCn1ccc([C@H]2CCC[N@@H+](CC3=CCCCC3)C2)n1 ZINC000426530552 383403698 /nfs/dbraw/zinc/40/36/98/383403698.db2.gz SYGFTLLKQLPSFZ-INIZCTEOSA-N 1 1 289.423 2.555 50 0 CFAAMO C[C@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1cnc[nH]1 ZINC000426541659 383405643 /nfs/dbraw/zinc/40/56/43/383405643.db2.gz UWGQCPXYJUAHKL-NSHDSACASA-N 1 1 292.427 2.534 50 0 CFAAMO C[C@H](CNC(=S)NCc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000252452645 383407708 /nfs/dbraw/zinc/40/77/08/383407708.db2.gz TUUOODZZSKLVRS-CHWSQXEVSA-N 1 1 295.452 2.507 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccsc1 ZINC000249685237 383355896 /nfs/dbraw/zinc/35/58/96/383355896.db2.gz FPOZPKDBTRNYFN-UONOGXRCSA-N 1 1 278.421 2.837 50 0 CFAAMO CCCCS[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252666269 383426074 /nfs/dbraw/zinc/42/60/74/383426074.db2.gz AYCSBRRAJSYVPB-BZPMIXESSA-N 1 1 284.469 2.507 50 0 CFAAMO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000253370466 383453206 /nfs/dbraw/zinc/45/32/06/383453206.db2.gz RGFQUUVMZGPWSO-CBZIJGRNSA-N 1 1 294.483 2.902 50 0 CFAAMO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)cn1 ZINC000253432546 383460140 /nfs/dbraw/zinc/46/01/40/383460140.db2.gz LCSKXBGOKYRJNK-LSDHHAIUSA-N 1 1 277.412 2.983 50 0 CFAAMO C[C@@H]1C[N@H+](CC(=O)c2ccccc2O)C[C@H]2C=CC=C[C@@H]12 ZINC000253589388 383464148 /nfs/dbraw/zinc/46/41/48/383464148.db2.gz GAEFYVMKRUECDH-KFWWJZLASA-N 1 1 283.371 2.885 50 0 CFAAMO C[C@@H]1C[N@@H+](CC(=O)c2ccccc2O)C[C@H]2C=CC=C[C@@H]12 ZINC000253589388 383464153 /nfs/dbraw/zinc/46/41/53/383464153.db2.gz GAEFYVMKRUECDH-KFWWJZLASA-N 1 1 283.371 2.885 50 0 CFAAMO C[N@@H+](CCO[C@H]1CCCCO1)[C@H]1CCCc2cccnc21 ZINC000252532955 383418298 /nfs/dbraw/zinc/41/82/98/383418298.db2.gz FOBPHXPSBSXFRX-HOTGVXAUSA-N 1 1 290.407 2.934 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)C3CCC3)C2)n1C1CC1 ZINC000257176895 383489709 /nfs/dbraw/zinc/48/97/09/383489709.db2.gz DCDVTNINWUKZFN-ZDUSSCGKSA-N 1 1 287.407 2.718 50 0 CFAAMO CC(C)(C)C(=O)NCCNc1cc[nH+]c2ccsc21 ZINC000266290487 384138193 /nfs/dbraw/zinc/13/81/93/384138193.db2.gz WNLYCSISIKTREC-UHFFFAOYSA-N 1 1 277.393 2.871 50 0 CFAAMO Cc1nonc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268048650 384517454 /nfs/dbraw/zinc/51/74/54/384517454.db2.gz UAIQXCYEXSLKOW-LBPRGKRZSA-N 1 1 261.300 2.507 50 0 CFAAMO O[C@@H](C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000013140422 285302155 /nfs/dbraw/zinc/30/21/55/285302155.db2.gz HMDFHKCUQNUSEN-OLZOCXBDSA-N 1 1 273.298 2.994 50 0 CFAAMO CCc1ccc([C@H]2CCCCC[N@@H+]2CCS(C)(=O)=O)o1 ZINC000096417459 256789677 /nfs/dbraw/zinc/78/96/77/256789677.db2.gz YXDPPWQCDOSDDN-CQSZACIVSA-N 1 1 299.436 2.804 50 0 CFAAMO CCc1ccc([C@H]2CCCCC[N@H+]2CCS(C)(=O)=O)o1 ZINC000096417459 256789679 /nfs/dbraw/zinc/78/96/79/256789679.db2.gz YXDPPWQCDOSDDN-CQSZACIVSA-N 1 1 299.436 2.804 50 0 CFAAMO CNc1nc(NCC[C@@H]2CCCC[N@H+]2C(C)C)ncc1F ZINC000824090530 781986684 /nfs/dbraw/zinc/98/66/84/781986684.db2.gz LIJSHBQGRRHROR-LBPRGKRZSA-N 1 1 295.406 2.722 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(C2Cc3ccccc3C2)C1 ZINC000065526324 393631657 /nfs/dbraw/zinc/63/16/57/393631657.db2.gz HZWFADICECYKQZ-AWEZNQCLSA-N 1 1 270.420 2.712 50 0 CFAAMO C[C@H]1CCCCN1C1C[NH+](C2Cc3ccccc3C2)C1 ZINC000065526324 393631665 /nfs/dbraw/zinc/63/16/65/393631665.db2.gz HZWFADICECYKQZ-AWEZNQCLSA-N 1 1 270.420 2.712 50 0 CFAAMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(F)c1 ZINC000090227694 393777295 /nfs/dbraw/zinc/77/72/95/393777295.db2.gz FZEHNCPVZNEIKH-IINYFYTJSA-N 1 1 274.343 2.911 50 0 CFAAMO CO[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000234860568 393783935 /nfs/dbraw/zinc/78/39/35/393783935.db2.gz XLYFUFJTWUWSCW-AWEZNQCLSA-N 1 1 265.328 2.509 50 0 CFAAMO CN(CC[N@H+]1C[C@H]2CC[C@@H]1C2)Cc1cc(C(C)(C)C)n[nH]1 ZINC000240163623 393798046 /nfs/dbraw/zinc/79/80/46/393798046.db2.gz JCQPBEVXTDAERE-DZGCQCFKSA-N 1 1 290.455 2.623 50 0 CFAAMO CC(C)c1nn(C)cc1C[N@@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000242305043 393798191 /nfs/dbraw/zinc/79/81/91/393798191.db2.gz YUGWOWQRQMPQTR-SJLPKXTDSA-N 1 1 299.418 2.634 50 0 CFAAMO Cc1nc(C[N@H+](C(C)C)C2CCOCC2)oc1C ZINC000096419591 393826934 /nfs/dbraw/zinc/82/69/34/393826934.db2.gz SXRSCHOPHBEYGP-UHFFFAOYSA-N 1 1 252.358 2.681 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)c1ccc(F)c(F)c1 ZINC000096432612 393832864 /nfs/dbraw/zinc/83/28/64/393832864.db2.gz OBVOCTRKUWUWAK-LLVKDONJSA-N 1 1 284.350 2.525 50 0 CFAAMO COCCN(Cc1ccsc1)C[C@H]1CCCC[N@H+]1C ZINC000252496812 393936261 /nfs/dbraw/zinc/93/62/61/393936261.db2.gz PSEPTTPLRUTHIH-OAHLLOKOSA-N 1 1 282.453 2.681 50 0 CFAAMO c1nnc([C@H]2CCC[N@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000252510365 393936982 /nfs/dbraw/zinc/93/69/82/393936982.db2.gz ZIMQHLIMDIXGKM-HNNXBMFYSA-N 1 1 292.427 2.581 50 0 CFAAMO Cc1[nH+]ccn1CCC1CCN(c2ncnc(C)c2C)CC1 ZINC000091626018 135072146 /nfs/dbraw/zinc/07/21/46/135072146.db2.gz RNNWZMDGKBJZAX-UHFFFAOYSA-N 1 1 299.422 2.905 50 0 CFAAMO CCCCCC(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000047013048 397583764 /nfs/dbraw/zinc/58/37/64/397583764.db2.gz UWZFLOAVQMUURS-UHFFFAOYSA-N 1 1 286.379 2.772 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C[C@H]2C=CCC2)ccn1 ZINC000047013541 397583877 /nfs/dbraw/zinc/58/38/77/397583877.db2.gz OHTBEUFOQCRHTH-AWEZNQCLSA-N 1 1 296.374 2.548 50 0 CFAAMO CC(C)CC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000058431909 397590025 /nfs/dbraw/zinc/59/00/25/397590025.db2.gz DOZLBTRHNAILLX-OAHLLOKOSA-N 1 1 260.381 2.596 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccncc3Cl)C2)n1 ZINC000215125381 397619158 /nfs/dbraw/zinc/61/91/58/397619158.db2.gz LLFIENBZNLIOEQ-AWEZNQCLSA-N 1 1 290.798 2.995 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000215125381 397619161 /nfs/dbraw/zinc/61/91/61/397619161.db2.gz LLFIENBZNLIOEQ-AWEZNQCLSA-N 1 1 290.798 2.995 50 0 CFAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000215150066 397619246 /nfs/dbraw/zinc/61/92/46/397619246.db2.gz TXMUFXVPGQWNCS-OAHLLOKOSA-N 1 1 298.434 2.914 50 0 CFAAMO CSc1nc(N)cc(N[C@H](C)Cc2ncccc2C)[nH+]1 ZINC000824952206 781999969 /nfs/dbraw/zinc/99/99/69/781999969.db2.gz LYIBPAMKLWQSGW-SNVBAGLBSA-N 1 1 289.408 2.527 50 0 CFAAMO Cc1cccc2nc(CC[NH2+][C@H]3CCSC3)[nH]c21 ZINC000825230905 782006518 /nfs/dbraw/zinc/00/65/18/782006518.db2.gz SHDQBXNNSFSKDL-NSHDSACASA-N 1 1 261.394 2.509 50 0 CFAAMO Cc1nc(-c2cccn2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000825292045 782008069 /nfs/dbraw/zinc/00/80/69/782008069.db2.gz MEKHMLZEFHEFCU-UHFFFAOYSA-N 1 1 265.320 2.774 50 0 CFAAMO COc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367053356 156273645 /nfs/dbraw/zinc/27/36/45/156273645.db2.gz FGCHNOXCMRBALA-QGZVFWFLSA-N 1 1 291.391 2.577 50 0 CFAAMO CCC[N@H+]1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000350489767 163087100 /nfs/dbraw/zinc/08/71/00/163087100.db2.gz TYOLUQGTLNLSAL-LBPRGKRZSA-N 1 1 258.325 2.679 50 0 CFAAMO CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000350489766 163087564 /nfs/dbraw/zinc/08/75/64/163087564.db2.gz TYOLUQGTLNLSAL-GFCCVEGCSA-N 1 1 258.325 2.679 50 0 CFAAMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCC1 ZINC000004745229 170010094 /nfs/dbraw/zinc/01/00/94/170010094.db2.gz POWDRGBDVHKSNW-HNNXBMFYSA-N 1 1 290.382 2.660 50 0 CFAAMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000004760338 170012636 /nfs/dbraw/zinc/01/26/36/170012636.db2.gz ZHMISQRQHZSXRG-OAHLLOKOSA-N 1 1 275.396 2.909 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCCOc2ccccc2C=O)C1 ZINC000004840955 170027673 /nfs/dbraw/zinc/02/76/73/170027673.db2.gz NFZNCLYYQZNOCZ-CQSZACIVSA-N 1 1 261.365 3.000 50 0 CFAAMO COc1ccc(Cc2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000004937178 170042541 /nfs/dbraw/zinc/04/25/41/170042541.db2.gz DSOYPYBJFAMRIF-UHFFFAOYSA-N 1 1 253.305 2.745 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2CO)c(C)c1C ZINC000004951318 170044756 /nfs/dbraw/zinc/04/47/56/170044756.db2.gz UEPBGBFQLXGEFW-OAHLLOKOSA-N 1 1 263.381 2.659 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004990135 170050554 /nfs/dbraw/zinc/05/05/54/170050554.db2.gz KQXOXXXVFSNDET-CYBMUJFWSA-N 1 1 286.375 2.943 50 0 CFAAMO Cc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000005010338 170055423 /nfs/dbraw/zinc/05/54/23/170055423.db2.gz SOPUQXHVHBWMLN-SJORKVTESA-N 1 1 294.398 2.776 50 0 CFAAMO CCOc1c(C[NH2+]Cc2ccco2)cccc1OC ZINC000005019470 170056754 /nfs/dbraw/zinc/05/67/54/170056754.db2.gz BFJMTBZBVWHFKE-UHFFFAOYSA-N 1 1 261.321 2.977 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000006698290 170227557 /nfs/dbraw/zinc/22/75/57/170227557.db2.gz DNVWXRUATLSVGW-UHFFFAOYSA-N 1 1 281.787 2.818 50 0 CFAAMO CCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000006699775 170228670 /nfs/dbraw/zinc/22/86/70/170228670.db2.gz FBIURFAHTBOEMG-UHFFFAOYSA-N 1 1 284.762 2.647 50 0 CFAAMO C[N@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000006730148 170234842 /nfs/dbraw/zinc/23/48/42/170234842.db2.gz HTXQOQHTPATXPX-UHFFFAOYSA-N 1 1 274.408 2.762 50 0 CFAAMO Cc1cccc(OC[C@H](O)C[N@H+](C)Cc2cccs2)c1 ZINC000007166375 170269775 /nfs/dbraw/zinc/26/97/75/170269775.db2.gz OKHQLRICTAUOBV-CQSZACIVSA-N 1 1 291.416 2.928 50 0 CFAAMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000009500268 170379178 /nfs/dbraw/zinc/37/91/78/170379178.db2.gz IZAUWBRCLCXUJA-CQSZACIVSA-N 1 1 293.370 2.888 50 0 CFAAMO Cc1nc(NC(=O)C[NH+]2CCCCCCC2)sc1C ZINC000010024802 170395983 /nfs/dbraw/zinc/39/59/83/170395983.db2.gz CWYWWJZARNLKMO-UHFFFAOYSA-N 1 1 281.425 2.965 50 0 CFAAMO CC(C)CC[N@H+]1CCN(Cc2cccs2)C[C@@H]1CCO ZINC000020514274 171231715 /nfs/dbraw/zinc/23/17/15/171231715.db2.gz UOQHGTPHOYYCCE-HNNXBMFYSA-N 1 1 296.480 2.663 50 0 CFAAMO Cc1nc(CN(C)C(=O)CC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000020535785 171240957 /nfs/dbraw/zinc/24/09/57/171240957.db2.gz ZCYFMGXYZYZSLF-GFCCVEGCSA-N 1 1 295.452 2.532 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000020537866 171241296 /nfs/dbraw/zinc/24/12/96/171241296.db2.gz YKKLNZGNEQCLRA-AWEZNQCLSA-N 1 1 292.398 2.906 50 0 CFAAMO CCC(=O)c1ccccc1OCCCC[NH+]1CCOCC1 ZINC000020653056 171269090 /nfs/dbraw/zinc/26/90/90/171269090.db2.gz OKHRYFHUWCFYOS-UHFFFAOYSA-N 1 1 291.391 2.771 50 0 CFAAMO Cc1[nH+]ccn1[C@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000020908949 171279371 /nfs/dbraw/zinc/27/93/71/171279371.db2.gz IUVSZAIOQLOLSX-SECBINFHSA-N 1 1 272.283 2.990 50 0 CFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000021659743 171318454 /nfs/dbraw/zinc/31/84/54/171318454.db2.gz PZDMKXIRAAFBAU-CYBMUJFWSA-N 1 1 288.347 2.830 50 0 CFAAMO Cc1ccc2c(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc(=O)oc2c1 ZINC000022625879 171395166 /nfs/dbraw/zinc/39/51/66/171395166.db2.gz IEURTRHVCILARC-STQMWFEESA-N 1 1 287.359 2.711 50 0 CFAAMO COCC[NH2+]Cc1csc(COc2cccc(C)c2)n1 ZINC000035718907 172373044 /nfs/dbraw/zinc/37/30/44/172373044.db2.gz RBFPNSFFZBPVFC-UHFFFAOYSA-N 1 1 292.404 2.767 50 0 CFAAMO COC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccc(C(C)=O)cc2)cc1 ZINC000038518562 174143702 /nfs/dbraw/zinc/14/37/02/174143702.db2.gz XBJRQWJZKCTLET-KRWDZBQOSA-N 1 1 297.354 2.599 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000040161816 174196131 /nfs/dbraw/zinc/19/61/31/174196131.db2.gz DHXJVLCSAREPBB-AWEZNQCLSA-N 1 1 264.413 2.868 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NCCCc1ccccc1 ZINC000040161500 174196460 /nfs/dbraw/zinc/19/64/60/174196460.db2.gz LXRDEKQXTFCQEO-OAHLLOKOSA-N 1 1 274.408 2.610 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCSCC[C@H]2C)cc1F ZINC000286104780 196498217 /nfs/dbraw/zinc/49/82/17/196498217.db2.gz LFDMMEZFPAPCLO-LLVKDONJSA-N 1 1 297.395 2.940 50 0 CFAAMO C/C=C/C[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000040496360 174295016 /nfs/dbraw/zinc/29/50/16/174295016.db2.gz WKKNJVPNTVENQG-ONEGZZNKSA-N 1 1 258.365 2.587 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@H]2C=CCC2)cn1 ZINC000040554385 174330407 /nfs/dbraw/zinc/33/04/07/174330407.db2.gz PWDWMEANLBOLQM-ZDUSSCGKSA-N 1 1 282.347 2.871 50 0 CFAAMO C[C@@H]1CCC[C@@](C[NH2+]Cc2ccncc2)(N(C)C)C1 ZINC000040668177 174367362 /nfs/dbraw/zinc/36/73/62/174367362.db2.gz RZICBPDAFBPELA-GDBMZVCRSA-N 1 1 261.413 2.682 50 0 CFAAMO CC[NH+](CC)CCNCc1cn(C)c2ccccc12 ZINC000045946150 175388151 /nfs/dbraw/zinc/38/81/51/175388151.db2.gz QYBSMSGZLWXMHP-UHFFFAOYSA-N 1 1 259.397 2.610 50 0 CFAAMO CCCNC(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000046089452 175393101 /nfs/dbraw/zinc/39/31/01/175393101.db2.gz IJVFSTOWAKQUMQ-UHFFFAOYSA-N 1 1 276.405 2.859 50 0 CFAAMO CCCNC(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000046089452 175393102 /nfs/dbraw/zinc/39/31/02/175393102.db2.gz IJVFSTOWAKQUMQ-UHFFFAOYSA-N 1 1 276.405 2.859 50 0 CFAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCC1=CCCCC1 ZINC000071751928 176259886 /nfs/dbraw/zinc/25/98/86/176259886.db2.gz SSTGQIDIPXNEGP-LBPRGKRZSA-N 1 1 261.369 2.759 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000071797183 176265172 /nfs/dbraw/zinc/26/51/72/176265172.db2.gz FGDUVWRMGWZXTO-HNNXBMFYSA-N 1 1 259.328 2.896 50 0 CFAAMO NC(=O)[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000071824490 176271428 /nfs/dbraw/zinc/27/14/28/176271428.db2.gz QDLVYZIFXWWINH-HZPDHXFCSA-N 1 1 284.334 2.629 50 0 CFAAMO C[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000071842071 176275119 /nfs/dbraw/zinc/27/51/19/176275119.db2.gz GLRKPSWDXROQEP-GFCCVEGCSA-N 1 1 271.364 2.545 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000071842071 176275121 /nfs/dbraw/zinc/27/51/21/176275121.db2.gz GLRKPSWDXROQEP-GFCCVEGCSA-N 1 1 271.364 2.545 50 0 CFAAMO CC(C)[C@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000071858781 176279612 /nfs/dbraw/zinc/27/96/12/176279612.db2.gz FZKQJIMZIXADIR-GFCCVEGCSA-N 1 1 261.325 2.950 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000071870563 176283559 /nfs/dbraw/zinc/28/35/59/176283559.db2.gz ZUFMWKNGFFQTFF-HUUCEWRRSA-N 1 1 273.380 2.711 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CC2(O)CCCCC2)n1 ZINC000071876999 176286747 /nfs/dbraw/zinc/28/67/47/176286747.db2.gz XTVJCVGFMGHEIW-INIZCTEOSA-N 1 1 291.439 2.660 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCc1cccs1 ZINC000071880460 176287984 /nfs/dbraw/zinc/28/79/84/176287984.db2.gz MVOGMYJZMQVPMI-HZPDHXFCSA-N 1 1 292.448 2.766 50 0 CFAAMO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(O)CC1 ZINC000071900492 176294085 /nfs/dbraw/zinc/29/40/85/176294085.db2.gz UDBHREHJIGINIO-SNVBAGLBSA-N 1 1 284.197 2.967 50 0 CFAAMO OCC[N@@H+](C[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000071907828 176296865 /nfs/dbraw/zinc/29/68/65/176296865.db2.gz BWDKFUHKEYTHNR-MOPGFXCFSA-N 1 1 297.398 2.702 50 0 CFAAMO CC(C)=CC[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC000072120950 176319558 /nfs/dbraw/zinc/31/95/58/176319558.db2.gz NJLQAJGSBUVNLU-UHFFFAOYSA-N 1 1 259.397 2.556 50 0 CFAAMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccnc1 ZINC000072125367 176320605 /nfs/dbraw/zinc/32/06/05/176320605.db2.gz GKCGCFBFAACVDT-UHFFFAOYSA-N 1 1 278.359 2.899 50 0 CFAAMO CSCCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000072129791 176321280 /nfs/dbraw/zinc/32/12/80/176321280.db2.gz RPPRGBXNJVAYAR-UHFFFAOYSA-N 1 1 278.465 2.866 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC=CCC1 ZINC000072143866 176323910 /nfs/dbraw/zinc/32/39/10/176323910.db2.gz WNCUMNULTAPNMU-CYBMUJFWSA-N 1 1 283.375 2.711 50 0 CFAAMO COc1ccnc(C[N@@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)c1OC ZINC000072144338 176324354 /nfs/dbraw/zinc/32/43/54/176324354.db2.gz PYXSTDHWZGDYOY-KGLIPLIRSA-N 1 1 288.391 2.887 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(CCc2ccccc2)C1 ZINC000072156511 176328998 /nfs/dbraw/zinc/32/89/98/176328998.db2.gz MUADVOQSKDXVBF-OAHLLOKOSA-N 1 1 258.409 2.788 50 0 CFAAMO CCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1 ZINC000072281374 176358675 /nfs/dbraw/zinc/35/86/75/176358675.db2.gz RYZQLAUDXQCUJY-UHFFFAOYSA-N 1 1 292.360 2.590 50 0 CFAAMO CC1CCC(O)(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000072296484 176363509 /nfs/dbraw/zinc/36/35/09/176363509.db2.gz ZCVLLTQMBIGTEL-BBBYJDLNSA-N 1 1 277.412 2.530 50 0 CFAAMO CC1CCC(O)(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)CC1 ZINC000072296484 176363510 /nfs/dbraw/zinc/36/35/10/176363510.db2.gz ZCVLLTQMBIGTEL-BBBYJDLNSA-N 1 1 277.412 2.530 50 0 CFAAMO CC1CCC(O)(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)CC1 ZINC000072296484 176363511 /nfs/dbraw/zinc/36/35/11/176363511.db2.gz ZCVLLTQMBIGTEL-BBBYJDLNSA-N 1 1 277.412 2.530 50 0 CFAAMO CCN1CC[NH2+][C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000072352860 176374567 /nfs/dbraw/zinc/37/45/67/176374567.db2.gz YBDHCJHLHZMKIR-SFHVURJKSA-N 1 1 294.398 2.716 50 0 CFAAMO Nc1cc(N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)ncn1 ZINC000072409965 176398568 /nfs/dbraw/zinc/39/85/68/176398568.db2.gz ARLYWKHYFZEZTL-AWEZNQCLSA-N 1 1 289.427 2.515 50 0 CFAAMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(C)(C)O)c1 ZINC000075838939 176802701 /nfs/dbraw/zinc/80/27/01/176802701.db2.gz CWQNZXOFHITDDR-HNNXBMFYSA-N 1 1 262.397 2.660 50 0 CFAAMO CC(C)=CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076396628 177014826 /nfs/dbraw/zinc/01/48/26/177014826.db2.gz YOZXEARZQWDTIV-AWEZNQCLSA-N 1 1 270.380 2.875 50 0 CFAAMO C[C@H](c1ccccc1F)N(C)c1cc[nH+]c(N(C)C)n1 ZINC000077192135 177231708 /nfs/dbraw/zinc/23/17/08/177231708.db2.gz AWZMLKHFYIBYDO-LLVKDONJSA-N 1 1 274.343 2.879 50 0 CFAAMO c1csc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)c1 ZINC000077374968 177259978 /nfs/dbraw/zinc/25/99/78/177259978.db2.gz HKAWEEVFWZZFJA-OAHLLOKOSA-N 1 1 294.464 2.825 50 0 CFAAMO CC(C)c1nc([C@H](C)NC(=O)C[N@@H+](C)C2CC2)cs1 ZINC000077614986 177287073 /nfs/dbraw/zinc/28/70/73/177287073.db2.gz NWJMYWIBWSYZLX-JTQLQIEISA-N 1 1 281.425 2.538 50 0 CFAAMO c1coc(-c2nc(C3CCOCC3)n(-c3cc[nH+]cc3)n2)c1 ZINC000827603750 782037473 /nfs/dbraw/zinc/03/74/73/782037473.db2.gz QAWBBKDEUNGTSP-UHFFFAOYSA-N 1 1 296.330 2.816 50 0 CFAAMO C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@@H]1n1ccnc1 ZINC000095981733 265321466 /nfs/dbraw/zinc/32/14/66/265321466.db2.gz KXUQRNXNKQXREX-HOCLYGCPSA-N 1 1 295.390 2.614 50 0 CFAAMO C[N@H+]1CCC2(C1)CCN(c1ncccc1Cl)CC2 ZINC000065403801 277035632 /nfs/dbraw/zinc/03/56/32/277035632.db2.gz RVAYFDQERQHPMC-UHFFFAOYSA-N 1 1 265.788 2.657 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000252485174 277223118 /nfs/dbraw/zinc/22/31/18/277223118.db2.gz GOSGBBJZRAQKHY-SNVBAGLBSA-N 1 1 271.348 2.517 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000252586191 278160246 /nfs/dbraw/zinc/16/02/46/278160246.db2.gz OBQPGRUDNHVABH-XJKCOSOUSA-N 1 1 278.440 2.944 50 0 CFAAMO C[C@H]1c2cc(F)ccc2CC[N@@H+]1CCn1cccn1 ZINC000299762579 280123668 /nfs/dbraw/zinc/12/36/68/280123668.db2.gz NVMIAADEWWJNAP-LBPRGKRZSA-N 1 1 259.328 2.642 50 0 CFAAMO Cc1ccc(CCC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC000040033503 280805263 /nfs/dbraw/zinc/80/52/63/280805263.db2.gz WOPFOODPHBKSFN-KRWDZBQOSA-N 1 1 287.403 2.955 50 0 CFAAMO C[C@@H]1CN(c2cc[nH+]cc2Cl)CC2(CCOCC2)O1 ZINC000279417690 288271136 /nfs/dbraw/zinc/27/11/36/288271136.db2.gz JXLMTKYDOGLMSB-LLVKDONJSA-N 1 1 282.771 2.509 50 0 CFAAMO Cc1cccc(CC[NH+]2CCC(c3ccn[nH]3)CC2)n1 ZINC000515837262 281298236 /nfs/dbraw/zinc/29/82/36/281298236.db2.gz POFQVZXORKQQPK-UHFFFAOYSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000089689314 281345010 /nfs/dbraw/zinc/34/50/10/281345010.db2.gz QGBWPOXQNBJZAK-HZPDHXFCSA-N 1 1 272.436 3.000 50 0 CFAAMO Cc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000066054547 292699959 /nfs/dbraw/zinc/69/99/59/292699959.db2.gz CHXGDOMEQWLRFR-CQSZACIVSA-N 1 1 276.380 2.876 50 0 CFAAMO C[C@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)[NH+]1CCSCC1 ZINC000241316813 289325247 /nfs/dbraw/zinc/32/52/47/289325247.db2.gz LVCQIEQWKCOTGW-KBUPBQIOSA-N 1 1 296.480 2.603 50 0 CFAAMO NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000069737334 303245363 /nfs/dbraw/zinc/24/53/63/303245363.db2.gz BSECEPCTEZCCDL-GFCCVEGCSA-N 1 1 286.297 2.718 50 0 CFAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1)c1ccco1 ZINC000828188873 782082168 /nfs/dbraw/zinc/08/21/68/782082168.db2.gz IIJCXAVESLMCEM-ZDUSSCGKSA-N 1 1 288.347 2.515 50 0 CFAAMO C[C@H]([NH2+]Cc1ccon1)c1cccc(-n2ccnc2)c1 ZINC000189909941 324034749 /nfs/dbraw/zinc/03/47/49/324034749.db2.gz KNJSKUFMBNCFDI-LBPRGKRZSA-N 1 1 268.320 2.711 50 0 CFAAMO C[C@H]1C[N@@H+](CCSCc2ccccc2)CC[C@@H]1O ZINC000192797244 324065281 /nfs/dbraw/zinc/06/52/81/324065281.db2.gz HSOQKXXJDBRQPB-ZFWWWQNUSA-N 1 1 265.422 2.623 50 0 CFAAMO CCCc1[nH+]ccn1Cc1cc2ccccc2n(C)c1=O ZINC000581834686 325153240 /nfs/dbraw/zinc/15/32/40/325153240.db2.gz WZMCEEHNRIQYNY-UHFFFAOYSA-N 1 1 281.359 2.736 50 0 CFAAMO CCC1(CC)C[N@@H+]([C@H](C)c2nnnn2C2CC2)CCS1 ZINC000361748408 521690168 /nfs/dbraw/zinc/69/01/68/521690168.db2.gz AZPDYUCQJKIFJX-LLVKDONJSA-N 1 1 295.456 2.677 50 0 CFAAMO CCC1(CC)C[N@H+]([C@H](C)c2nnnn2C2CC2)CCS1 ZINC000361748408 521690169 /nfs/dbraw/zinc/69/01/69/521690169.db2.gz AZPDYUCQJKIFJX-LLVKDONJSA-N 1 1 295.456 2.677 50 0 CFAAMO C[N@@H+](CCCCCO)CCOc1ccccc1Cl ZINC000096026618 522731351 /nfs/dbraw/zinc/73/13/51/522731351.db2.gz YRILARKONVCASF-UHFFFAOYSA-N 1 1 271.788 2.813 50 0 CFAAMO COC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052710509 523058680 /nfs/dbraw/zinc/05/86/80/523058680.db2.gz LEDQIIDDVWBFAJ-UHFFFAOYSA-N 1 1 275.270 2.700 50 0 CFAAMO Cc1nc[nH]c1CN1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000107016594 534718154 /nfs/dbraw/zinc/71/81/54/534718154.db2.gz VGSXOINNVYZSFO-QGZVFWFLSA-N 1 1 290.455 2.660 50 0 CFAAMO O=S1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000098016216 534878590 /nfs/dbraw/zinc/87/85/90/534878590.db2.gz NCXXRNXPXLWTOD-OAHLLOKOSA-N 1 1 263.406 2.518 50 0 CFAAMO CCO[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1O ZINC000222807714 528063343 /nfs/dbraw/zinc/06/33/43/528063343.db2.gz RCOYLVWJFYFVQS-OALUTQOASA-N 1 1 297.398 2.935 50 0 CFAAMO CC(C)COC[C@H](O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000252516012 535187234 /nfs/dbraw/zinc/18/72/34/535187234.db2.gz PGFVWSUKTALBPE-CHWSQXEVSA-N 1 1 283.437 2.701 50 0 CFAAMO CN1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000003683492 536340310 /nfs/dbraw/zinc/34/03/10/536340310.db2.gz YYQCCEWNNWORIB-UHFFFAOYSA-N 1 1 293.842 2.556 50 0 CFAAMO COc1ccccc1OCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341975721 537095768 /nfs/dbraw/zinc/09/57/68/537095768.db2.gz JZBWUZIMXNSACN-KRWDZBQOSA-N 1 1 291.391 2.577 50 0 CFAAMO C[C@@H](CCc1c[nH]c2ccccc12)[N@H+](C)Cc1nncn1C ZINC000670450300 545587037 /nfs/dbraw/zinc/58/70/37/545587037.db2.gz ZSRJHAFZDCEJJR-ZDUSSCGKSA-N 1 1 297.406 2.750 50 0 CFAAMO C[C@@H](CCc1c[nH]c2ccccc12)[N@@H+](C)Cc1nncn1C ZINC000670450300 545587040 /nfs/dbraw/zinc/58/70/40/545587040.db2.gz ZSRJHAFZDCEJJR-ZDUSSCGKSA-N 1 1 297.406 2.750 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)CCc2scnc2C)n(C)c1 ZINC000952966698 614248192 /nfs/dbraw/zinc/24/81/92/614248192.db2.gz WGOAHKYRLYPDOX-UHFFFAOYSA-N 1 1 291.420 2.667 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)CCc2scnc2C)n(C)c1 ZINC000952966698 614248194 /nfs/dbraw/zinc/24/81/94/614248194.db2.gz WGOAHKYRLYPDOX-UHFFFAOYSA-N 1 1 291.420 2.667 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](Cc2[nH]c(CC)nc2C)C1 ZINC000952966703 614951886 /nfs/dbraw/zinc/95/18/86/614951886.db2.gz DRXIJCXIRJGILX-CYBMUJFWSA-N 1 1 265.401 2.672 50 0 CFAAMO COc1cc2c(cc1OC)[C@@H](c1cccnc1)[N@H+](C)CC2 ZINC000023279649 618354855 /nfs/dbraw/zinc/35/48/55/618354855.db2.gz BWLYXGXVTMEQIQ-QGZVFWFLSA-N 1 1 284.359 2.676 50 0 CFAAMO COc1cc2c(cc1OC)[C@@H](c1cccnc1)[N@@H+](C)CC2 ZINC000023279649 618354858 /nfs/dbraw/zinc/35/48/58/618354858.db2.gz BWLYXGXVTMEQIQ-QGZVFWFLSA-N 1 1 284.359 2.676 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180199458 625003610 /nfs/dbraw/zinc/00/36/10/625003610.db2.gz XFCGVEKBWSWUBL-OAHLLOKOSA-N 1 1 299.418 2.946 50 0 CFAAMO COCCCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000011661491 626170081 /nfs/dbraw/zinc/17/00/81/626170081.db2.gz GTXHUSIKIUSNOP-UHFFFAOYSA-N 1 1 279.384 2.586 50 0 CFAAMO C=CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000863971535 637824446 /nfs/dbraw/zinc/82/44/46/637824446.db2.gz XUXZNEKOXINDJZ-UHFFFAOYSA-N 1 1 284.403 2.687 50 0 CFAAMO C[N@@H+](CC(=O)Nc1cccc(-n2cccn2)c1)C1CCCC1 ZINC000952982527 650791430 /nfs/dbraw/zinc/79/14/30/650791430.db2.gz ATPYIDLDRZEHQL-UHFFFAOYSA-N 1 1 298.390 2.685 50 0 CFAAMO Cc1nc([C@H](C)NCc2cc3cc(C)ccc3[nH]c2=O)n[nH]1 ZINC000952992235 650791661 /nfs/dbraw/zinc/79/16/61/650791661.db2.gz YWTHEXVDNMRJFW-JTQLQIEISA-N 1 1 297.362 2.526 50 0 CFAAMO Cc1ccc(C[NH2+][C@H](C)c2nncn2C)c2cccnc12 ZINC000952983665 650791762 /nfs/dbraw/zinc/79/17/62/650791762.db2.gz QIXVMJSJDVZDFX-GFCCVEGCSA-N 1 1 281.363 2.523 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1ccc(F)cc1 ZINC000098007734 651059638 /nfs/dbraw/zinc/05/96/38/651059638.db2.gz LYJJHBBDTQTUJO-JKEYDSJLSA-N 1 1 290.382 2.830 50 0 CFAAMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000887268675 647255963 /nfs/dbraw/zinc/25/59/63/647255963.db2.gz RJMTUFHKGKGAFG-HZMVEIRTSA-N 1 1 290.451 2.898 50 0 CFAAMO COCCN1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000015067944 651184616 /nfs/dbraw/zinc/18/46/16/651184616.db2.gz ZWGOEISOIYLHRQ-QGZVFWFLSA-N 1 1 280.456 2.611 50 0 CFAAMO COCCN1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000015067944 651184618 /nfs/dbraw/zinc/18/46/18/651184618.db2.gz ZWGOEISOIYLHRQ-QGZVFWFLSA-N 1 1 280.456 2.611 50 0 CFAAMO CCc1nc(C)c(C[N@H+]2CC[C@](O)(c3ccccc3)C2)o1 ZINC000020202750 651297094 /nfs/dbraw/zinc/29/70/94/651297094.db2.gz DOOJWWHUCSJLRY-QGZVFWFLSA-N 1 1 286.375 2.639 50 0 CFAAMO CN1CC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000020535327 651299733 /nfs/dbraw/zinc/29/97/33/651299733.db2.gz JSQOPRTXVVOROJ-QGZVFWFLSA-N 1 1 288.435 2.619 50 0 CFAAMO CCC[N@H+]1CCCC[C@@H]1C(=O)NNc1ccc(F)cc1 ZINC000049519546 779127352 /nfs/dbraw/zinc/12/73/52/779127352.db2.gz VTMDLDJXHVRPAX-CQSZACIVSA-N 1 1 279.359 2.533 50 0 CFAAMO CC[C@H](C(=O)NCc1ccc2[nH]c(C)cc2c1)[N@@H+](C)CC ZINC000822555789 781903724 /nfs/dbraw/zinc/90/37/24/781903724.db2.gz NBRLGHBYDOZJQB-MRXNPFEDSA-N 1 1 287.407 2.823 50 0 CFAAMO CC[C@@H](O)C1CCN(CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000822594969 781906996 /nfs/dbraw/zinc/90/69/96/781906996.db2.gz PEUPQCICSZXYJD-MRXNPFEDSA-N 1 1 282.472 2.591 50 0 CFAAMO CC[C@H](c1nc(-c2ccccc2)nn1CC)[NH+](C)C ZINC000822663317 781907621 /nfs/dbraw/zinc/90/76/21/781907621.db2.gz NUNPCHQMCLGTJY-CYBMUJFWSA-N 1 1 258.369 2.978 50 0 CFAAMO Cc1cc(NC[C@H]2CC(=O)Nc3ccccc32)nc(C)[nH+]1 ZINC000096453765 230376545 /nfs/dbraw/zinc/37/65/45/230376545.db2.gz UAZFOZMJUQUEDG-GFCCVEGCSA-N 1 1 282.347 2.631 50 0 CFAAMO CCC[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1N(C)C ZINC000082121424 177922072 /nfs/dbraw/zinc/92/20/72/177922072.db2.gz RFGNRUHLMZRMQX-RHSMWYFYSA-N 1 1 294.414 2.867 50 0 CFAAMO CCC[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1N(C)C ZINC000082121424 177922074 /nfs/dbraw/zinc/92/20/74/177922074.db2.gz RFGNRUHLMZRMQX-RHSMWYFYSA-N 1 1 294.414 2.867 50 0 CFAAMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000096489891 230382265 /nfs/dbraw/zinc/38/22/65/230382265.db2.gz WERDRQVZDPJYNB-MRXNPFEDSA-N 1 1 296.370 2.744 50 0 CFAAMO CCn1cc(C[N@@H+](C)C[C@@H]2CCOc3ccccc3C2)cn1 ZINC000095507594 185000300 /nfs/dbraw/zinc/00/03/00/185000300.db2.gz WGOJKEUJXFQTOL-OAHLLOKOSA-N 1 1 299.418 2.976 50 0 CFAAMO NC(=O)C[N@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095519205 185002481 /nfs/dbraw/zinc/00/24/81/185002481.db2.gz AKTMMEKARCLQSC-UHFFFAOYSA-N 1 1 294.398 2.554 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000095962983 185044703 /nfs/dbraw/zinc/04/47/03/185044703.db2.gz GIPWJFLHFQAPOF-AWEZNQCLSA-N 1 1 264.388 2.989 50 0 CFAAMO CCN1CC[C@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000095967134 185046177 /nfs/dbraw/zinc/04/61/77/185046177.db2.gz UWGIMAMCYKMEOJ-CJNGLKHVSA-N 1 1 264.388 2.688 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000095974637 185049662 /nfs/dbraw/zinc/04/96/62/185049662.db2.gz JUMWRQMGVSCGOQ-WBVHZDCISA-N 1 1 286.375 2.647 50 0 CFAAMO Cc1nc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)cs1 ZINC000095991150 185058665 /nfs/dbraw/zinc/05/86/65/185058665.db2.gz KQXWJHKFXGRZJS-WPBUFGDCSA-N 1 1 296.436 2.863 50 0 CFAAMO c1cc(CCC[N@H+]2CC[C@H](Oc3ccncc3)C2)ccn1 ZINC000096012979 185065459 /nfs/dbraw/zinc/06/54/59/185065459.db2.gz MEAAZDSNLDEZHR-KRWDZBQOSA-N 1 1 283.375 2.563 50 0 CFAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccoc1 ZINC000823118784 781919284 /nfs/dbraw/zinc/91/92/84/781919284.db2.gz BYYKRVVHJXIWSV-QGZVFWFLSA-N 1 1 298.386 2.685 50 0 CFAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccoc1 ZINC000823118784 781919279 /nfs/dbraw/zinc/91/92/79/781919279.db2.gz BYYKRVVHJXIWSV-QGZVFWFLSA-N 1 1 298.386 2.685 50 0 CFAAMO Cc1cc(N)[nH+]cc1-c1cnn(Cc2ccccc2)c1 ZINC000082730129 178247677 /nfs/dbraw/zinc/24/76/77/178247677.db2.gz NTAVOYNQJUMEKZ-UHFFFAOYSA-N 1 1 264.332 2.884 50 0 CFAAMO C[N@@H+](CCCn1ccnc1)Cc1ccc(F)c(F)c1 ZINC000097032960 185155535 /nfs/dbraw/zinc/15/55/35/185155535.db2.gz YPLBZSZWWJDYMA-UHFFFAOYSA-N 1 1 265.307 2.683 50 0 CFAAMO CCn1cnnc1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000097033291 185156032 /nfs/dbraw/zinc/15/60/32/185156032.db2.gz ZFRMXIGXWSZNRE-CQSZACIVSA-N 1 1 274.343 2.604 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2CC)o1 ZINC000069624049 346897231 /nfs/dbraw/zinc/89/72/31/346897231.db2.gz CIVVQHRXKYUSAJ-LSDHHAIUSA-N 1 1 290.407 2.931 50 0 CFAAMO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ncc[nH]1 ZINC000072273391 346924696 /nfs/dbraw/zinc/92/46/96/346924696.db2.gz GEDSJYRXGVTYJC-LBPRGKRZSA-N 1 1 273.384 2.528 50 0 CFAAMO Cc1ccc(C(=O)OCC[NH+]2CCSCC2)cc1C ZINC000075109506 347055782 /nfs/dbraw/zinc/05/57/82/347055782.db2.gz ZVXKPFLOLHPZNV-UHFFFAOYSA-N 1 1 279.405 2.509 50 0 CFAAMO CCN(C(=O)C[N@H+]1CCSC2(CCCCC2)C1)C1CC1 ZINC000075106022 347055823 /nfs/dbraw/zinc/05/58/23/347055823.db2.gz MKWDYZLSEPAFGD-UHFFFAOYSA-N 1 1 296.480 2.749 50 0 CFAAMO CCc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)o1 ZINC000097162248 185553236 /nfs/dbraw/zinc/55/32/36/185553236.db2.gz KDMDMMUGYOBTIZ-UHFFFAOYSA-N 1 1 277.286 2.731 50 0 CFAAMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000085411749 179057072 /nfs/dbraw/zinc/05/70/72/179057072.db2.gz WQEACRKNPKAUDS-PMPSAXMXSA-N 1 1 272.392 2.679 50 0 CFAAMO C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000048313539 346471268 /nfs/dbraw/zinc/47/12/68/346471268.db2.gz QHULVEOKBWTYJX-UHFFFAOYSA-N 1 1 293.720 2.896 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085635991 179109094 /nfs/dbraw/zinc/10/90/94/179109094.db2.gz BVTLXIGKCFSFJA-KFWWJZLASA-N 1 1 280.456 2.652 50 0 CFAAMO CC[C@@H]1[C@H](c2ccc(C)cc2)CC[N@H+]1CCS(C)(=O)=O ZINC000076109596 347120553 /nfs/dbraw/zinc/12/05/53/347120553.db2.gz IWYKNTXKYRUWQT-JKSUJKDBSA-N 1 1 295.448 2.608 50 0 CFAAMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000678461011 539556013 /nfs/dbraw/zinc/55/60/13/539556013.db2.gz IEHKRAHSSHKJHF-VXGBXAGGSA-N 1 1 260.341 2.647 50 0 CFAAMO CS[C@H]1CC[C@H]([N@@H+](C)CCc2ccncc2)C1 ZINC000078947803 347281147 /nfs/dbraw/zinc/28/11/47/347281147.db2.gz AIACHDSZNWKNDB-KBPBESRZSA-N 1 1 250.411 2.840 50 0 CFAAMO Cc1cc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)on1 ZINC000084124270 347457425 /nfs/dbraw/zinc/45/74/25/347457425.db2.gz OUKNNVCCORMKBL-ZDUSSCGKSA-N 1 1 271.364 2.824 50 0 CFAAMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)cc1F ZINC000095457657 347698221 /nfs/dbraw/zinc/69/82/21/347698221.db2.gz KDWYFUNTXYPQJE-VHSXEESVSA-N 1 1 283.322 2.521 50 0 CFAAMO Fc1ccccc1OCc1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000096001578 347699779 /nfs/dbraw/zinc/69/97/79/347699779.db2.gz HGZRBKWPJNIBLH-LBPRGKRZSA-N 1 1 291.326 2.992 50 0 CFAAMO COc1ccc([C@H](C)C[N@@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000097230947 347707618 /nfs/dbraw/zinc/70/76/18/347707618.db2.gz IZCODVSQWNHFED-XCLFUZPHSA-N 1 1 295.448 2.642 50 0 CFAAMO COc1ccc([C@H](C)C[N@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000097230947 347707623 /nfs/dbraw/zinc/70/76/23/347707623.db2.gz IZCODVSQWNHFED-XCLFUZPHSA-N 1 1 295.448 2.642 50 0 CFAAMO CCc1nn(C)cc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000097375294 347709358 /nfs/dbraw/zinc/70/93/58/347709358.db2.gz RZPKDQZXBPXREP-LBPRGKRZSA-N 1 1 258.369 2.571 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000097375294 347709361 /nfs/dbraw/zinc/70/93/61/347709361.db2.gz RZPKDQZXBPXREP-LBPRGKRZSA-N 1 1 258.369 2.571 50 0 CFAAMO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1nnc2n1CCCC2 ZINC000098052798 347712455 /nfs/dbraw/zinc/71/24/55/347712455.db2.gz RKNUAASGELULOF-JKEYDSJLSA-N 1 1 282.391 2.978 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000106779384 347732640 /nfs/dbraw/zinc/73/26/40/347732640.db2.gz LBYAHKCQUBZAAZ-OAGGEKHMSA-N 1 1 276.424 2.818 50 0 CFAAMO CC[C@H]([NH2+]CCc1nc[nH]n1)c1cccc(Cl)c1F ZINC000161879159 348026894 /nfs/dbraw/zinc/02/68/94/348026894.db2.gz MVUKDHIUUIMIEW-NSHDSACASA-N 1 1 282.750 2.881 50 0 CFAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC000172019966 348085570 /nfs/dbraw/zinc/08/55/70/348085570.db2.gz QYIWTFFMECCFCF-GFCCVEGCSA-N 1 1 272.348 2.647 50 0 CFAAMO Cc1cc(C[NH+]2CCN(Cc3ccncc3)CC2)c(C)o1 ZINC000195563209 348146960 /nfs/dbraw/zinc/14/69/60/348146960.db2.gz AERISOZIBBVZBD-UHFFFAOYSA-N 1 1 285.391 2.609 50 0 CFAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1ccsc1 ZINC000584892333 348729326 /nfs/dbraw/zinc/72/93/26/348729326.db2.gz HQGPTYWQVYGHGN-UHFFFAOYSA-N 1 1 286.400 2.966 50 0 CFAAMO C[N@@H+](Cc1ccc(Cl)cc1)C1CCS(=O)CC1 ZINC000078969837 539677417 /nfs/dbraw/zinc/67/74/17/539677417.db2.gz BLQJXXNGSUUDRD-UHFFFAOYSA-N 1 1 271.813 2.683 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccnc3ccccc13)C2 ZINC000091593201 180201323 /nfs/dbraw/zinc/20/13/23/180201323.db2.gz PBDBDPWLJMTBAP-GOEBONIOSA-N 1 1 281.403 2.761 50 0 CFAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000091651510 180216763 /nfs/dbraw/zinc/21/67/63/180216763.db2.gz VEVFHUPYDPPZLX-KRWDZBQOSA-N 1 1 295.398 2.745 50 0 CFAAMO CC(C)=CC[C@]1(CO)CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000091680284 180226404 /nfs/dbraw/zinc/22/64/04/180226404.db2.gz GVORNCPDSWRATA-QGZVFWFLSA-N 1 1 289.423 2.716 50 0 CFAAMO C[C@H](c1ccccn1)[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000091701884 180229939 /nfs/dbraw/zinc/22/99/39/180229939.db2.gz VNRSHCIVJBTVTG-WBMJQRKESA-N 1 1 274.339 2.947 50 0 CFAAMO CC(C)=CC[C@@]1(CO)CCC[N@@H+](CC2CCOCC2)C1 ZINC000091934486 180288926 /nfs/dbraw/zinc/28/89/26/180288926.db2.gz KCZAVUNIKCHBGW-KRWDZBQOSA-N 1 1 281.440 2.844 50 0 CFAAMO CN(Cc1ccc(Cl)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253339 180353157 /nfs/dbraw/zinc/35/31/57/180353157.db2.gz GBYPWTPVUZYQJJ-NSHDSACASA-N 1 1 256.777 2.707 50 0 CFAAMO CCOc1ccc(C[N@H+](C)CN2C(=O)C[C@H](C)[C@@H]2C)cc1 ZINC000106924134 186150659 /nfs/dbraw/zinc/15/06/59/186150659.db2.gz HEKDFCSZXXVXOC-KBPBESRZSA-N 1 1 290.407 2.732 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)CN2C(=O)C[C@H](C)[C@@H]2C)cc1 ZINC000106924134 186150660 /nfs/dbraw/zinc/15/06/60/186150660.db2.gz HEKDFCSZXXVXOC-KBPBESRZSA-N 1 1 290.407 2.732 50 0 CFAAMO CS[C@@H]1CC[C@H]([N@@H+](C)CCc2ccncc2)C1 ZINC000107145133 186160265 /nfs/dbraw/zinc/16/02/65/186160265.db2.gz AIACHDSZNWKNDB-UONOGXRCSA-N 1 1 250.411 2.840 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1OC ZINC000108327781 186211789 /nfs/dbraw/zinc/21/17/89/186211789.db2.gz FGJCFPQVYWOMOZ-ZFWWWQNUSA-N 1 1 293.407 2.748 50 0 CFAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)[C@@H]1CC=CCC1 ZINC000618256344 352740058 /nfs/dbraw/zinc/74/00/58/352740058.db2.gz GSUNGEZGMTUELC-CABCVRRESA-N 1 1 290.432 2.795 50 0 CFAAMO C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)c2ccccc2S1 ZINC000048419153 539935751 /nfs/dbraw/zinc/93/57/51/539935751.db2.gz VHWICAPZOTVHIF-CYBMUJFWSA-N 1 1 290.432 3.000 50 0 CFAAMO CCC[N@H+](Cc1cc(C(C)=O)cn1C)C[C@H]1CCCO1 ZINC000216088772 539970212 /nfs/dbraw/zinc/97/02/12/539970212.db2.gz AYCTWDOPAVIYKA-MRXNPFEDSA-N 1 1 278.396 2.619 50 0 CFAAMO Cc1cccc(N[C@H](C)C(=O)N2CCCC[C@@H]2C)[nH+]1 ZINC000157361760 188312541 /nfs/dbraw/zinc/31/25/41/188312541.db2.gz QZOCZWUHMPESQS-QWHCGFSZSA-N 1 1 261.369 2.591 50 0 CFAAMO Cc1cccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000158422102 188375086 /nfs/dbraw/zinc/37/50/86/188375086.db2.gz HEMIFKUSPCQJAI-KRWDZBQOSA-N 1 1 297.402 2.569 50 0 CFAAMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nc1 ZINC000083704996 540183543 /nfs/dbraw/zinc/18/35/43/540183543.db2.gz CKKCVODFYGOXNA-TZMCWYRMSA-N 1 1 279.815 2.794 50 0 CFAAMO Cc1nc(CN(Cc2ccccc2)[C@H]2CC[N@H+](C)C2)oc1C ZINC000084061346 540192672 /nfs/dbraw/zinc/19/26/72/540192672.db2.gz IFWHDZWXCZJTQJ-KRWDZBQOSA-N 1 1 299.418 2.998 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(F)cc1Cl)C2 ZINC000091650955 283246933 /nfs/dbraw/zinc/24/69/33/283246933.db2.gz AIUQZVWHFLWNPM-CMPLNLGQSA-N 1 1 296.773 2.645 50 0 CFAAMO CC(C)=CCC[N@H+](C)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000823683879 781936245 /nfs/dbraw/zinc/93/62/45/781936245.db2.gz GSPNSJGKLPCVDV-CQSZACIVSA-N 1 1 266.429 2.922 50 0 CFAAMO Cc1ccc([C@@H]2C[N@H+](C[C@H]3CCCO3)CCO2)c(C)c1 ZINC000253618283 540561141 /nfs/dbraw/zinc/56/11/41/540561141.db2.gz UGJUIYIUYQFXCM-WBVHZDCISA-N 1 1 275.392 2.856 50 0 CFAAMO Cc1ccc([C@@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)c(C)c1 ZINC000253618283 540561142 /nfs/dbraw/zinc/56/11/42/540561142.db2.gz UGJUIYIUYQFXCM-WBVHZDCISA-N 1 1 275.392 2.856 50 0 CFAAMO OC1(CNc2nc(N3CCCC3)cc[nH+]2)CCCCCC1 ZINC000169988905 540551195 /nfs/dbraw/zinc/55/11/95/540551195.db2.gz YZMYSHABIJEIRK-UHFFFAOYSA-N 1 1 290.411 2.574 50 0 CFAAMO Cc1ccc2c(cc(C[N@@H+](C)Cc3cnn(C)c3)n2C)c1 ZINC000823708518 781936745 /nfs/dbraw/zinc/93/67/45/781936745.db2.gz GZLIHKKKWLNJHZ-UHFFFAOYSA-N 1 1 282.391 2.852 50 0 CFAAMO Cc1ccc2c(cc(C[N@H+](C)Cc3cnn(C)c3)n2C)c1 ZINC000823708518 781936753 /nfs/dbraw/zinc/93/67/53/781936753.db2.gz GZLIHKKKWLNJHZ-UHFFFAOYSA-N 1 1 282.391 2.852 50 0 CFAAMO CNC(=O)C[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000670442950 540997124 /nfs/dbraw/zinc/99/71/24/540997124.db2.gz KSDFOHYPYMYBJT-HNNXBMFYSA-N 1 1 266.429 2.805 50 0 CFAAMO Cc1nc(C[NH+]2CCC(Cc3cccnc3)CC2)c[nH]1 ZINC000670451080 540999962 /nfs/dbraw/zinc/99/99/62/540999962.db2.gz AJZXJYRXVDOOSI-UHFFFAOYSA-N 1 1 270.380 2.568 50 0 CFAAMO CCN1CCC([NH2+][C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000670454882 541000814 /nfs/dbraw/zinc/00/08/14/541000814.db2.gz RYTOABJOVNZBKS-SFHVURJKSA-N 1 1 298.434 2.698 50 0 CFAAMO C[N@@H+](CCOCc1ccccc1)CCC1(O)CCCC1 ZINC000670458317 541002198 /nfs/dbraw/zinc/00/21/98/541002198.db2.gz JNZNVVWTZQGKIQ-UHFFFAOYSA-N 1 1 277.408 2.830 50 0 CFAAMO FC1(F)C[C@@H]1CC[NH+]1CC(Oc2ccccc2)C1 ZINC000670465611 541006281 /nfs/dbraw/zinc/00/62/81/541006281.db2.gz HZMIWSLOXKUJSX-NSHDSACASA-N 1 1 253.292 2.795 50 0 CFAAMO O[C@H](C[N@@H+]1CCOc2ccccc2C1)c1ccccc1F ZINC000076547919 541319197 /nfs/dbraw/zinc/31/91/97/541319197.db2.gz MAMLHAJGJYQOOF-MRXNPFEDSA-N 1 1 287.334 2.754 50 0 CFAAMO O[C@H](C[N@H+]1CCOc2ccccc2C1)c1ccccc1F ZINC000076547919 541319201 /nfs/dbraw/zinc/31/92/01/541319201.db2.gz MAMLHAJGJYQOOF-MRXNPFEDSA-N 1 1 287.334 2.754 50 0 CFAAMO O[C@@H](C[N@@H+]1CCOc2ccccc2C1)c1ccccc1F ZINC000076547915 541319563 /nfs/dbraw/zinc/31/95/63/541319563.db2.gz MAMLHAJGJYQOOF-INIZCTEOSA-N 1 1 287.334 2.754 50 0 CFAAMO O[C@@H](C[N@H+]1CCOc2ccccc2C1)c1ccccc1F ZINC000076547915 541319566 /nfs/dbraw/zinc/31/95/66/541319566.db2.gz MAMLHAJGJYQOOF-INIZCTEOSA-N 1 1 287.334 2.754 50 0 CFAAMO O=C(c1ccccc1)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000450222248 242311959 /nfs/dbraw/zinc/31/19/59/242311959.db2.gz BABIHBNNTSRIBJ-UHFFFAOYSA-N 1 1 284.403 2.945 50 0 CFAAMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(O)cc1)CC2 ZINC000000201408 371556356 /nfs/dbraw/zinc/55/63/56/371556356.db2.gz VZXLAXXEQBQLBP-UHFFFAOYSA-N 1 1 299.370 2.968 50 0 CFAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000000201408 371556361 /nfs/dbraw/zinc/55/63/61/371556361.db2.gz VZXLAXXEQBQLBP-UHFFFAOYSA-N 1 1 299.370 2.968 50 0 CFAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCCCCC1 ZINC000000212457 371558835 /nfs/dbraw/zinc/55/88/35/371558835.db2.gz WORFDAODWCDIGJ-HNNXBMFYSA-N 1 1 290.407 2.894 50 0 CFAAMO CC[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000000213540 371559028 /nfs/dbraw/zinc/55/90/28/371559028.db2.gz FRXTVKMLTMOUJU-LBPRGKRZSA-N 1 1 250.361 2.961 50 0 CFAAMO CSc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000000209276 371559835 /nfs/dbraw/zinc/55/98/35/371559835.db2.gz NTLYPZWLTBQOIX-ZDUSSCGKSA-N 1 1 251.395 2.613 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)o2)C1 ZINC000000214435 371560541 /nfs/dbraw/zinc/56/05/41/371560541.db2.gz NCTQOYKZQROFFX-CQSZACIVSA-N 1 1 278.396 2.668 50 0 CFAAMO Fc1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000000237678 371563796 /nfs/dbraw/zinc/56/37/96/371563796.db2.gz INZIONBOYXSOJP-UHFFFAOYSA-N 1 1 271.339 2.543 50 0 CFAAMO Fc1ccccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000000240544 371565862 /nfs/dbraw/zinc/56/58/62/371565862.db2.gz AUURBBQVPAJFLH-UHFFFAOYSA-N 1 1 271.339 2.543 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000000239713 371565935 /nfs/dbraw/zinc/56/59/35/371565935.db2.gz WKVNJYXAQPCQQT-ZDUSSCGKSA-N 1 1 280.437 2.829 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H](O)COc1cccc2ccccc21 ZINC000000282921 371576041 /nfs/dbraw/zinc/57/60/41/371576041.db2.gz MUOOISYQSYBRKC-OAHLLOKOSA-N 1 1 282.343 2.785 50 0 CFAAMO O=c1c2ccccc2[nH]c(=S)n1CCC[NH+]1CCCC1 ZINC000000314419 371586233 /nfs/dbraw/zinc/58/62/33/371586233.db2.gz FTMZZAPUNMEDAB-UHFFFAOYSA-N 1 1 289.404 2.545 50 0 CFAAMO COc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000002499015 371729961 /nfs/dbraw/zinc/72/99/61/371729961.db2.gz AQSJXSUFNUALAG-CQSZACIVSA-N 1 1 278.440 2.804 50 0 CFAAMO C[N@H+](CC(=O)NCc1ccccc1)Cc1cccc(F)c1 ZINC000003334773 371793550 /nfs/dbraw/zinc/79/35/50/371793550.db2.gz LVDJODHRJKFTRQ-UHFFFAOYSA-N 1 1 286.350 2.574 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccccc1)Cc1cccc(F)c1 ZINC000003334773 371793556 /nfs/dbraw/zinc/79/35/56/371793556.db2.gz LVDJODHRJKFTRQ-UHFFFAOYSA-N 1 1 286.350 2.574 50 0 CFAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1F ZINC000003538718 371808472 /nfs/dbraw/zinc/80/84/72/371808472.db2.gz BFWWAOHPJDHHNQ-UHFFFAOYSA-N 1 1 264.344 2.805 50 0 CFAAMO COc1ccccc1C(=O)O[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000003901935 371823840 /nfs/dbraw/zinc/82/38/40/371823840.db2.gz KTZCSPSWFXRDPE-XUJVJEKNSA-N 1 1 277.364 2.581 50 0 CFAAMO O=C(C[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000004278178 371845680 /nfs/dbraw/zinc/84/56/80/371845680.db2.gz URDVZFKXZGIHTD-UHFFFAOYSA-N 1 1 297.196 2.874 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000009726176 371902201 /nfs/dbraw/zinc/90/22/01/371902201.db2.gz KLTVDTNXSXVTMH-LLVKDONJSA-N 1 1 291.782 2.580 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000009726183 371903030 /nfs/dbraw/zinc/90/30/30/371903030.db2.gz KLTVDTNXSXVTMH-NSHDSACASA-N 1 1 291.782 2.580 50 0 CFAAMO Cc1oc(-c2ccsc2)nc1C[N@H+](CCO)C(C)C ZINC000012076676 371943416 /nfs/dbraw/zinc/94/34/16/371943416.db2.gz IQMZPXJSQTUWSV-UHFFFAOYSA-N 1 1 280.393 2.914 50 0 CFAAMO [NH3+]CCCc1c(=O)[nH][nH]c1-c1ccc(Cl)cc1Cl ZINC000012404571 371960740 /nfs/dbraw/zinc/96/07/40/371960740.db2.gz FFULDQXUZPHFEK-UHFFFAOYSA-N 1 1 286.162 2.568 50 0 CFAAMO CC(C)(CO)C[N@H+]1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000012432526 371963382 /nfs/dbraw/zinc/96/33/82/371963382.db2.gz KXBPOCNAXRGOLG-OAHLLOKOSA-N 1 1 280.387 2.721 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1F ZINC000012444787 371965389 /nfs/dbraw/zinc/96/53/89/371965389.db2.gz OOCMTGJVMZLXSC-LBPRGKRZSA-N 1 1 292.333 2.764 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1F ZINC000012444787 371965398 /nfs/dbraw/zinc/96/53/98/371965398.db2.gz OOCMTGJVMZLXSC-LBPRGKRZSA-N 1 1 292.333 2.764 50 0 CFAAMO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccc(F)cc1 ZINC000012880306 371994498 /nfs/dbraw/zinc/99/44/98/371994498.db2.gz SRBMVYBLZJSDQN-GFCCVEGCSA-N 1 1 278.371 2.705 50 0 CFAAMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000012880306 371994506 /nfs/dbraw/zinc/99/45/06/371994506.db2.gz SRBMVYBLZJSDQN-GFCCVEGCSA-N 1 1 278.371 2.705 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)NCc1ccco1 ZINC000012905563 371996210 /nfs/dbraw/zinc/99/62/10/371996210.db2.gz DMLUTXFSUFMHAK-MRXNPFEDSA-N 1 1 298.386 2.603 50 0 CFAAMO O=C(CC[NH+]1CCOCC1)Nc1cccc2ccccc21 ZINC000012916820 371999130 /nfs/dbraw/zinc/99/91/30/371999130.db2.gz NXHGLMIUZSWVHE-UHFFFAOYSA-N 1 1 284.359 2.501 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccco1)[C@@H]1CCCc2ccccc21 ZINC000016694526 372117738 /nfs/dbraw/zinc/11/77/38/372117738.db2.gz BBJVFLNPYONBKP-QGZVFWFLSA-N 1 1 298.386 2.905 50 0 CFAAMO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCc1ccccc1 ZINC000014286740 372067635 /nfs/dbraw/zinc/06/76/35/372067635.db2.gz QHCAUXWNQXEWDE-SFHVURJKSA-N 1 1 294.398 2.531 50 0 CFAAMO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000015007273 372076760 /nfs/dbraw/zinc/07/67/60/372076760.db2.gz GRCPYWJBEBTIHH-ZDUSSCGKSA-N 1 1 277.412 2.892 50 0 CFAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000015073867 372079037 /nfs/dbraw/zinc/07/90/37/372079037.db2.gz ICAOUMQBURKYQA-HNNXBMFYSA-N 1 1 292.810 2.831 50 0 CFAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000015073867 372079043 /nfs/dbraw/zinc/07/90/43/372079043.db2.gz ICAOUMQBURKYQA-HNNXBMFYSA-N 1 1 292.810 2.831 50 0 CFAAMO c1nc(-c2ccccc2)[nH]c1CN1CC[NH+](CC2CC2)CC1 ZINC000019224600 372151859 /nfs/dbraw/zinc/15/18/59/372151859.db2.gz KCSJTXXHIYCMSI-UHFFFAOYSA-N 1 1 296.418 2.604 50 0 CFAAMO C[N@H+]1CCCN(Cc2cc(Br)cs2)CC1 ZINC000019536384 372173591 /nfs/dbraw/zinc/17/35/91/372173591.db2.gz QUQSTBRSZGRGBT-UHFFFAOYSA-N 1 1 289.242 2.648 50 0 CFAAMO CCc1ccc2[nH]c(C)c(CN3CC[NH+](C)CC3)c(=O)c2c1 ZINC000019522934 372174709 /nfs/dbraw/zinc/17/47/09/372174709.db2.gz BXMHFQKICFZZHZ-UHFFFAOYSA-N 1 1 299.418 2.559 50 0 CFAAMO CCc1ccc2[nH]c(C)c(C[NH+]3CCN(C)CC3)c(=O)c2c1 ZINC000019522934 372174717 /nfs/dbraw/zinc/17/47/17/372174717.db2.gz BXMHFQKICFZZHZ-UHFFFAOYSA-N 1 1 299.418 2.559 50 0 CFAAMO COc1ccc(CC[N@@H+](C)Cc2ccncc2)cc1OC ZINC000019632661 372177943 /nfs/dbraw/zinc/17/79/43/372177943.db2.gz DLJDBOHKUOFCDL-UHFFFAOYSA-N 1 1 286.375 2.773 50 0 CFAAMO CCc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000019913620 372208868 /nfs/dbraw/zinc/20/88/68/372208868.db2.gz HOWCWBHKPQEDID-UHFFFAOYSA-N 1 1 288.435 2.939 50 0 CFAAMO CC[NH+](CC)CCN[C@H](C)c1cccc(OC)c1 ZINC000019919423 372210100 /nfs/dbraw/zinc/21/01/00/372210100.db2.gz SICMIVLHEZLVAJ-CYBMUJFWSA-N 1 1 250.386 2.688 50 0 CFAAMO c1ccc(N2CCN([C@H]3CCC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000020908666 372241912 /nfs/dbraw/zinc/24/19/12/372241912.db2.gz AVCCESFBTCKRGF-IBGZPJMESA-N 1 1 299.462 2.826 50 0 CFAAMO COc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000020019035 372219320 /nfs/dbraw/zinc/21/93/20/372219320.db2.gz VGKFNOOAARUPIM-UHFFFAOYSA-N 1 1 271.360 2.690 50 0 CFAAMO CN(C)CC[N@@H+]1C[C@@H]2CCc3[nH]c4ccccc4c3[C@@H]2C1 ZINC000022023368 372243423 /nfs/dbraw/zinc/24/34/23/372243423.db2.gz XRNHNPCQILWJPN-DZGCQCFKSA-N 1 1 283.419 2.691 50 0 CFAAMO CN(C)CC[N@H+]1C[C@@H]2CCc3[nH]c4ccccc4c3[C@@H]2C1 ZINC000022023368 372243429 /nfs/dbraw/zinc/24/34/29/372243429.db2.gz XRNHNPCQILWJPN-DZGCQCFKSA-N 1 1 283.419 2.691 50 0 CFAAMO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000023281283 372256382 /nfs/dbraw/zinc/25/63/82/372256382.db2.gz QEMBANSDAFYAQF-CQSZACIVSA-N 1 1 298.386 2.546 50 0 CFAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](O)C3)co2)cc1 ZINC000024958056 372285036 /nfs/dbraw/zinc/28/50/36/372285036.db2.gz IUOVTFQDDGXKSQ-OAHLLOKOSA-N 1 1 272.348 2.607 50 0 CFAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](O)C3)co2)cc1 ZINC000024958056 372285042 /nfs/dbraw/zinc/28/50/42/372285042.db2.gz IUOVTFQDDGXKSQ-OAHLLOKOSA-N 1 1 272.348 2.607 50 0 CFAAMO C[C@H](CNC(=O)[C@H]1CC=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025632470 372305086 /nfs/dbraw/zinc/30/50/86/372305086.db2.gz QLKATBRDSZLUFA-WBVHZDCISA-N 1 1 298.430 2.906 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000026227480 372315784 /nfs/dbraw/zinc/31/57/84/372315784.db2.gz YONHAPTWNHXKFI-UHFFFAOYSA-N 1 1 271.316 2.625 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000026227480 372315788 /nfs/dbraw/zinc/31/57/88/372315788.db2.gz YONHAPTWNHXKFI-UHFFFAOYSA-N 1 1 271.316 2.625 50 0 CFAAMO CCc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000027348541 372338880 /nfs/dbraw/zinc/33/88/80/372338880.db2.gz CZPJPYSZPMIMHQ-UHFFFAOYSA-N 1 1 282.387 2.980 50 0 CFAAMO C[N@H+](CCCOc1ccccc1)[C@@H](C(N)=O)c1ccccc1 ZINC000029854841 372387656 /nfs/dbraw/zinc/38/76/56/372387656.db2.gz UIBAHYZWKOPWLW-QGZVFWFLSA-N 1 1 298.386 2.614 50 0 CFAAMO C[N@@H+](CCCOc1ccccc1)[C@@H](C(N)=O)c1ccccc1 ZINC000029854841 372387661 /nfs/dbraw/zinc/38/76/61/372387661.db2.gz UIBAHYZWKOPWLW-QGZVFWFLSA-N 1 1 298.386 2.614 50 0 CFAAMO Cc1[nH+]ccn1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000030695671 372396489 /nfs/dbraw/zinc/39/64/89/372396489.db2.gz YFAMPIGGUVIKKS-UHFFFAOYSA-N 1 1 267.691 2.623 50 0 CFAAMO C[C@@H](CNCc1c[nH]nc1-c1cccs1)[NH+]1CCCC1 ZINC000030902895 372401204 /nfs/dbraw/zinc/40/12/04/372401204.db2.gz WLUXHZCTMJCKFG-LBPRGKRZSA-N 1 1 290.436 2.712 50 0 CFAAMO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031543657 372412023 /nfs/dbraw/zinc/41/20/23/372412023.db2.gz HMOSOLYBBHMKNX-HNNXBMFYSA-N 1 1 274.408 2.813 50 0 CFAAMO C[C@H]1CCC[N@H+](CCCNCc2cccs2)C1 ZINC000032919224 372476693 /nfs/dbraw/zinc/47/66/93/372476693.db2.gz BGTXITFOQAWWOI-ZDUSSCGKSA-N 1 1 252.427 2.960 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCCNCc2cccs2)C1 ZINC000032919224 372476701 /nfs/dbraw/zinc/47/67/01/372476701.db2.gz BGTXITFOQAWWOI-ZDUSSCGKSA-N 1 1 252.427 2.960 50 0 CFAAMO Fc1ccccc1-c1n[nH]cc1C[NH+]1CCSCC1 ZINC000032547853 372445100 /nfs/dbraw/zinc/44/51/00/372445100.db2.gz ODRAZYIUOFWXQZ-UHFFFAOYSA-N 1 1 277.368 2.765 50 0 CFAAMO Cc1cccc2c(=O)n(CC[C@H]3CCCC[N@@H+]3C)cnc12 ZINC000032592961 372447056 /nfs/dbraw/zinc/44/70/56/372447056.db2.gz OGPJTAZBRIUVHR-CQSZACIVSA-N 1 1 285.391 2.579 50 0 CFAAMO C[N@@H+](CCOC(=O)/C=C\c1ccco1)C(C)(C)C ZINC000033417536 372492352 /nfs/dbraw/zinc/49/23/52/372492352.db2.gz ISVFMURJLARZKZ-FPLPWBNLSA-N 1 1 251.326 2.566 50 0 CFAAMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)CC ZINC000036095976 372559278 /nfs/dbraw/zinc/55/92/78/372559278.db2.gz XHQNUEFDWSLFPY-AWEZNQCLSA-N 1 1 281.396 2.687 50 0 CFAAMO COc1ccc(OC)c(CNc2cc(C)[nH+]c(C)n2)c1 ZINC000036395264 372578241 /nfs/dbraw/zinc/57/82/41/372578241.db2.gz RAHVDGUBRXWGKT-UHFFFAOYSA-N 1 1 273.336 2.723 50 0 CFAAMO CCc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000036398689 372580599 /nfs/dbraw/zinc/58/05/99/372580599.db2.gz MFJHWSGGACIUQY-HOCLYGCPSA-N 1 1 277.408 2.721 50 0 CFAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000036408638 372580925 /nfs/dbraw/zinc/58/09/25/372580925.db2.gz HOTLIFUDQTYBKZ-CVEARBPZSA-N 1 1 277.408 2.918 50 0 CFAAMO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000037879956 372731909 /nfs/dbraw/zinc/73/19/09/372731909.db2.gz VFGWGPYFIMJLPV-SECBINFHSA-N 1 1 251.280 2.847 50 0 CFAAMO CCN1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000037979521 372746584 /nfs/dbraw/zinc/74/65/84/372746584.db2.gz RPXOQRUXCRHISE-UHFFFAOYSA-N 1 1 290.436 2.712 50 0 CFAAMO CC[NH+]1CCC(NCc2c[nH]nc2-c2cccs2)CC1 ZINC000037979521 372746590 /nfs/dbraw/zinc/74/65/90/372746590.db2.gz RPXOQRUXCRHISE-UHFFFAOYSA-N 1 1 290.436 2.712 50 0 CFAAMO Cc1ncc(C[N@@H+](C)CCOc2ccccc2)s1 ZINC000047259462 373084425 /nfs/dbraw/zinc/08/44/25/373084425.db2.gz LNPVMJMJOKGETQ-UHFFFAOYSA-N 1 1 262.378 2.962 50 0 CFAAMO Cc1ncsc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048268712 373156172 /nfs/dbraw/zinc/15/61/72/373156172.db2.gz KGLPYITZQDNVDT-TXEJJXNPSA-N 1 1 295.452 2.549 50 0 CFAAMO c1cc2c(ncnc2N[C@@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000048336867 373166007 /nfs/dbraw/zinc/16/60/07/373166007.db2.gz VPYOQVZCKRQYCW-VXGBXAGGSA-N 1 1 274.393 2.730 50 0 CFAAMO Cc1nnc(C[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000048345333 373167482 /nfs/dbraw/zinc/16/74/82/373167482.db2.gz PFMDEWMFBYGZBM-UHFFFAOYSA-N 1 1 271.364 2.833 50 0 CFAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000050025428 373340151 /nfs/dbraw/zinc/34/01/51/373340151.db2.gz BCISUUWLZAPBNW-MRXNPFEDSA-N 1 1 295.386 2.993 50 0 CFAAMO CCc1nc(C)c(C(=O)NCC[N@H+]2CCCC[C@H]2C)s1 ZINC000050579690 373380716 /nfs/dbraw/zinc/38/07/16/373380716.db2.gz CDEYQDDGWBEJLT-LLVKDONJSA-N 1 1 295.452 2.618 50 0 CFAAMO CCc1nc(C)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000050579687 373382273 /nfs/dbraw/zinc/38/22/73/373382273.db2.gz CDEYQDDGWBEJLT-NSHDSACASA-N 1 1 295.452 2.618 50 0 CFAAMO CCC[N@@H+](CCn1c2ccccc2oc1=O)CC1CC1 ZINC000051281338 373391762 /nfs/dbraw/zinc/39/17/62/373391762.db2.gz YBKAWYKLGPGYET-UHFFFAOYSA-N 1 1 274.364 2.717 50 0 CFAAMO Cc1nnc(C[NH+]2CCC(CCc3ccccc3)CC2)n1C ZINC000052361357 373442879 /nfs/dbraw/zinc/44/28/79/373442879.db2.gz FIFBCSXUXZGHKY-UHFFFAOYSA-N 1 1 298.434 2.968 50 0 CFAAMO C[NH+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000052635588 373447211 /nfs/dbraw/zinc/44/72/11/373447211.db2.gz SQXFPALYDCCYQO-INIZCTEOSA-N 1 1 268.360 2.606 50 0 CFAAMO CC(C)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000053150924 373464474 /nfs/dbraw/zinc/46/44/74/373464474.db2.gz XFJFQNAXMJULNU-LLVKDONJSA-N 1 1 266.410 2.534 50 0 CFAAMO CC(C)N(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000053150924 373464486 /nfs/dbraw/zinc/46/44/86/373464486.db2.gz XFJFQNAXMJULNU-LLVKDONJSA-N 1 1 266.410 2.534 50 0 CFAAMO CC[N@H+](Cc1cccc(F)c1F)C[C@H]1CCOC1 ZINC000052071032 373434976 /nfs/dbraw/zinc/43/49/76/373434976.db2.gz QNBQFERVBUCXQR-LLVKDONJSA-N 1 1 255.308 2.823 50 0 CFAAMO Cc1ccsc1C[N@H+](C)CCCc1cnn(C)c1 ZINC000054315727 373517248 /nfs/dbraw/zinc/51/72/48/373517248.db2.gz MHGPDANZYDSQBT-UHFFFAOYSA-N 1 1 263.410 2.855 50 0 CFAAMO CNc1ncccc1C[N@H+](Cc1ccccc1)C[C@H](C)CO ZINC000055252736 373546740 /nfs/dbraw/zinc/54/67/40/373546740.db2.gz BDWIPYGYBKNXEA-HNNXBMFYSA-N 1 1 299.418 2.754 50 0 CFAAMO CNc1ncccc1C[N@H+](Cc1ccccc1)C[C@@H](C)CO ZINC000055252739 373547672 /nfs/dbraw/zinc/54/76/72/373547672.db2.gz BDWIPYGYBKNXEA-OAHLLOKOSA-N 1 1 299.418 2.754 50 0 CFAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000058283042 373640599 /nfs/dbraw/zinc/64/05/99/373640599.db2.gz JWRYWZCCLVWTRM-IRXDYDNUSA-N 1 1 280.371 2.703 50 0 CFAAMO CCO[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000058293494 373642501 /nfs/dbraw/zinc/64/25/01/373642501.db2.gz DJMXUUCSHXNJPF-SNVBAGLBSA-N 1 1 291.326 2.683 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC000058307051 373644799 /nfs/dbraw/zinc/64/47/99/373644799.db2.gz INDQVHVKMFUTKW-GFCCVEGCSA-N 1 1 296.361 2.815 50 0 CFAAMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2s1 ZINC000058391587 373652456 /nfs/dbraw/zinc/65/24/56/373652456.db2.gz SNHAJCRHONSZSF-LBPRGKRZSA-N 1 1 274.389 2.725 50 0 CFAAMO COc1c(C[NH2+][C@H]2CCc3c2cccc3F)c(C)nn1C ZINC000058426876 373656474 /nfs/dbraw/zinc/65/64/74/373656474.db2.gz JRCGSYPPGBCOQI-HNNXBMFYSA-N 1 1 289.354 2.653 50 0 CFAAMO CCc1noc([C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000060369969 373693120 /nfs/dbraw/zinc/69/31/20/373693120.db2.gz YOHFBHJZGXCLHC-JSGCOSHPSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1noc([C@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000060369969 373693131 /nfs/dbraw/zinc/69/31/31/373693131.db2.gz YOHFBHJZGXCLHC-JSGCOSHPSA-N 1 1 286.379 2.879 50 0 CFAAMO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1cc(C)nn1C ZINC000063856618 373817128 /nfs/dbraw/zinc/81/71/28/373817128.db2.gz BURGDURPMYWXGW-CYBMUJFWSA-N 1 1 293.436 2.563 50 0 CFAAMO CC[C@H](CO)[N@@H+](Cc1cccs1)Cc1cc(C)nn1C ZINC000063856618 373817134 /nfs/dbraw/zinc/81/71/34/373817134.db2.gz BURGDURPMYWXGW-CYBMUJFWSA-N 1 1 293.436 2.563 50 0 CFAAMO Cc1ccccc1OCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065503473 373879869 /nfs/dbraw/zinc/87/98/69/373879869.db2.gz OWBFLXWLIIGYTJ-QGZVFWFLSA-N 1 1 288.435 2.934 50 0 CFAAMO COc1cccc(C[N@H+](Cc2[nH]cnc2C)C2CC2)c1 ZINC000065503504 373880181 /nfs/dbraw/zinc/88/01/81/373880181.db2.gz CKDZXWGMIWWNDL-UHFFFAOYSA-N 1 1 271.364 2.891 50 0 CFAAMO COc1cccc(C[N@@H+](Cc2[nH]cnc2C)C2CC2)c1 ZINC000065503504 373880187 /nfs/dbraw/zinc/88/01/87/373880187.db2.gz CKDZXWGMIWWNDL-UHFFFAOYSA-N 1 1 271.364 2.891 50 0 CFAAMO COC(=O)c1oc(C[N@@H+](C)[C@@H](C)C2CC2)cc1C ZINC000065542149 373884515 /nfs/dbraw/zinc/88/45/15/373884515.db2.gz JLSHPDJPJYVXGU-JTQLQIEISA-N 1 1 251.326 2.605 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC000065610169 373895231 /nfs/dbraw/zinc/89/52/31/373895231.db2.gz BZUFMSXFXYEDPA-HNNXBMFYSA-N 1 1 292.398 2.605 50 0 CFAAMO CCc1nnc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]1 ZINC000065286902 373853079 /nfs/dbraw/zinc/85/30/79/373853079.db2.gz PZSYRRJITYLZMJ-LLVKDONJSA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000065286902 373853087 /nfs/dbraw/zinc/85/30/87/373853087.db2.gz PZSYRRJITYLZMJ-LLVKDONJSA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000065286902 373853092 /nfs/dbraw/zinc/85/30/92/373853092.db2.gz PZSYRRJITYLZMJ-LLVKDONJSA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1nc([C@@H]2CCC[N@H+](Cc3cccs3)C2)n[nH]1 ZINC000065286902 373853102 /nfs/dbraw/zinc/85/31/02/373853102.db2.gz PZSYRRJITYLZMJ-LLVKDONJSA-N 1 1 276.409 2.808 50 0 CFAAMO CCc1nc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n[nH]1 ZINC000065286902 373853108 /nfs/dbraw/zinc/85/31/08/373853108.db2.gz PZSYRRJITYLZMJ-LLVKDONJSA-N 1 1 276.409 2.808 50 0 CFAAMO CC[C@@H](C(=O)N1CC[NH+]=C1N1CCCCC1)c1ccccc1 ZINC000065306376 373854655 /nfs/dbraw/zinc/85/46/55/373854655.db2.gz MXWRSZOPJVBSAS-MRXNPFEDSA-N 1 1 299.418 2.864 50 0 CFAAMO CC[C@H](C(=O)N1CC[NH+]=C1N1CCCCC1)c1ccccc1 ZINC000065306375 373855415 /nfs/dbraw/zinc/85/54/15/373855415.db2.gz MXWRSZOPJVBSAS-INIZCTEOSA-N 1 1 299.418 2.864 50 0 CFAAMO CC(=O)Nc1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)cc1 ZINC000065419481 373868164 /nfs/dbraw/zinc/86/81/64/373868164.db2.gz BBWGUIMMFKDRME-AWEZNQCLSA-N 1 1 289.423 2.560 50 0 CFAAMO CC[C@H](C(=O)NCC1=CCC[N@@H+](C)C1)c1ccccc1 ZINC000065423577 373870723 /nfs/dbraw/zinc/87/07/23/373870723.db2.gz SVTBXYISUJNTIQ-INIZCTEOSA-N 1 1 272.392 2.558 50 0 CFAAMO CSCc1noc(C[NH2+][C@@H](C)Cc2ccccc2F)n1 ZINC000065424994 373870797 /nfs/dbraw/zinc/87/07/97/373870797.db2.gz LXAGVTIQRIRIQV-JTQLQIEISA-N 1 1 295.383 2.793 50 0 CFAAMO CC(C)[N@H+](Cc1ccc2ccccc2n1)C[C@H]1CCC(=O)N1 ZINC000065424077 373870856 /nfs/dbraw/zinc/87/08/56/373870856.db2.gz RLGSJJKDVMYTIU-MRXNPFEDSA-N 1 1 297.402 2.724 50 0 CFAAMO CC(=O)N1CCC([N@@H+](C)Cc2csc(C(C)C)n2)CC1 ZINC000065456503 373872682 /nfs/dbraw/zinc/87/26/82/373872682.db2.gz OSRNCBNQPXAGFJ-UHFFFAOYSA-N 1 1 295.452 2.709 50 0 CFAAMO CC(=O)N1CCC([N@H+](C)Cc2csc(C(C)C)n2)CC1 ZINC000065456503 373872685 /nfs/dbraw/zinc/87/26/85/373872685.db2.gz OSRNCBNQPXAGFJ-UHFFFAOYSA-N 1 1 295.452 2.709 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)Cc1cc2c(cc1C)OCO2 ZINC000067724935 373996892 /nfs/dbraw/zinc/99/68/92/373996892.db2.gz INFYFERXEHXMKU-UHFFFAOYSA-N 1 1 288.347 2.961 50 0 CFAAMO Cc1noc(C)c1C[N@H+](C)Cc1cc2c(cc1C)OCO2 ZINC000067724935 373996897 /nfs/dbraw/zinc/99/68/97/373996897.db2.gz INFYFERXEHXMKU-UHFFFAOYSA-N 1 1 288.347 2.961 50 0 CFAAMO CCCc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000067790055 374001471 /nfs/dbraw/zinc/00/14/71/374001471.db2.gz UCMPFPDNTBGITH-QGZVFWFLSA-N 1 1 299.418 2.991 50 0 CFAAMO CCCc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000067790055 374001480 /nfs/dbraw/zinc/00/14/80/374001480.db2.gz UCMPFPDNTBGITH-QGZVFWFLSA-N 1 1 299.418 2.991 50 0 CFAAMO CC[N@H+]1CCC[C@H](CCNC(=O)c2ccc(O)c(C)c2)C1 ZINC000067772300 374001684 /nfs/dbraw/zinc/00/16/84/374001684.db2.gz TZRWMMBZPUCHDK-CQSZACIVSA-N 1 1 290.407 2.552 50 0 CFAAMO Cn1cncc1CN1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000067834074 374006107 /nfs/dbraw/zinc/00/61/07/374006107.db2.gz LYNROLIJXYJAQG-SFHVURJKSA-N 1 1 298.434 2.819 50 0 CFAAMO COc1cc(CN2CCC[C@H](CC[NH3+])C2)c(Cl)cc1O ZINC000067871957 374013511 /nfs/dbraw/zinc/01/35/11/374013511.db2.gz BVCVZZVERLAASP-LLVKDONJSA-N 1 1 298.814 2.615 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CC[C@H](CNC(=O)c2occc2C)C1 ZINC000067587312 373985053 /nfs/dbraw/zinc/98/50/53/373985053.db2.gz PLSDIMNUWXPBBU-DTHCKZEYSA-N 1 1 290.407 2.996 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC000067634445 373987284 /nfs/dbraw/zinc/98/72/84/373987284.db2.gz ZWGRFFNKRDUGAO-HNNXBMFYSA-N 1 1 266.429 2.803 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000069661080 374083400 /nfs/dbraw/zinc/08/34/00/374083400.db2.gz WSNYOBKLCDTYEX-CABCVRRESA-N 1 1 264.413 2.652 50 0 CFAAMO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069629593 374080569 /nfs/dbraw/zinc/08/05/69/374080569.db2.gz MVQPFYDZQQBHMD-BXUZGUMPSA-N 1 1 290.363 2.978 50 0 CFAAMO CCc1noc(C[N@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000069414473 374059742 /nfs/dbraw/zinc/05/97/42/374059742.db2.gz SSUJEFGYZHVLSH-AWEZNQCLSA-N 1 1 271.364 2.839 50 0 CFAAMO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000069413703 374060287 /nfs/dbraw/zinc/06/02/87/374060287.db2.gz TZCXVTAFEBBOPB-OLZOCXBDSA-N 1 1 297.362 2.672 50 0 CFAAMO CC[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1CCOC1 ZINC000069438211 374063946 /nfs/dbraw/zinc/06/39/46/374063946.db2.gz HDSOTXUEMRTLKH-HNNXBMFYSA-N 1 1 285.391 2.731 50 0 CFAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000069452739 374064247 /nfs/dbraw/zinc/06/42/47/374064247.db2.gz LQMBJNDMEBHCJP-SECBINFHSA-N 1 1 284.812 2.616 50 0 CFAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000069529736 374071870 /nfs/dbraw/zinc/07/18/70/374071870.db2.gz WJWQKWFDNBFHGI-LLVKDONJSA-N 1 1 278.783 2.554 50 0 CFAAMO Cc1[nH+]cn(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1C ZINC000069533294 374072532 /nfs/dbraw/zinc/07/25/32/374072532.db2.gz VDGNQPLEHVVWBD-CQSZACIVSA-N 1 1 285.391 2.994 50 0 CFAAMO C[C@H](CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)n1cccc1 ZINC000069569052 374074281 /nfs/dbraw/zinc/07/42/81/374074281.db2.gz DWKVCBYVJXQVEZ-PMPSAXMXSA-N 1 1 289.423 2.524 50 0 CFAAMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)N1CCC1 ZINC000069570237 374074863 /nfs/dbraw/zinc/07/48/63/374074863.db2.gz ICXSVNISWMULER-GFCCVEGCSA-N 1 1 280.799 2.955 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000069922053 374109178 /nfs/dbraw/zinc/10/91/78/374109178.db2.gz XMTXBSCSRYHILS-GJZGRUSLSA-N 1 1 294.345 2.664 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000070011007 374114833 /nfs/dbraw/zinc/11/48/33/374114833.db2.gz IZRUSOBGAIFWDV-HZPDHXFCSA-N 1 1 264.413 2.652 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)c3cccnc3)C2)n1 ZINC000070020926 374117907 /nfs/dbraw/zinc/11/79/07/374117907.db2.gz IWSXWDNJFXYTTL-XJKSGUPXSA-N 1 1 299.422 2.763 50 0 CFAAMO C[N@@H+](CC(=O)N1CCC1)Cc1cccc2ccccc21 ZINC000070040127 374118799 /nfs/dbraw/zinc/11/87/99/374118799.db2.gz CDVNCOBGDAHCIR-UHFFFAOYSA-N 1 1 268.360 2.504 50 0 CFAAMO Cc1ncc2c(n1)C[N@H+](CCCc1ccccc1)CC2 ZINC000069898309 374106756 /nfs/dbraw/zinc/10/67/56/374106756.db2.gz OBOPHCPNLDXKQR-UHFFFAOYSA-N 1 1 267.376 2.776 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000069899374 374106884 /nfs/dbraw/zinc/10/68/84/374106884.db2.gz DTVAILRFEDWXBT-KGLIPLIRSA-N 1 1 295.814 2.757 50 0 CFAAMO C[C@@H](NC(C)(C)C[NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000069898377 374107006 /nfs/dbraw/zinc/10/70/06/374107006.db2.gz MNFUAXJDAJIBLS-CQSZACIVSA-N 1 1 286.423 2.639 50 0 CFAAMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2ccsc2)C(=O)O1 ZINC000071812630 374224932 /nfs/dbraw/zinc/22/49/32/374224932.db2.gz LKUAXKZHHPOXPC-JLLWLGSASA-N 1 1 251.351 2.589 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccsc2)C(=O)O1 ZINC000071812630 374224941 /nfs/dbraw/zinc/22/49/41/374224941.db2.gz LKUAXKZHHPOXPC-JLLWLGSASA-N 1 1 251.351 2.589 50 0 CFAAMO Cc1cccc(N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000071909884 374230486 /nfs/dbraw/zinc/23/04/86/374230486.db2.gz OGDNYWIXQLPBPM-UHFFFAOYSA-N 1 1 291.395 2.884 50 0 CFAAMO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000072309045 374244580 /nfs/dbraw/zinc/24/45/80/374244580.db2.gz JWQWHEMSPVGTCR-QSOAKEGCSA-N 1 1 289.375 2.951 50 0 CFAAMO Cc1ncsc1CC[N@H+](C)Cc1c(C)noc1C ZINC000074349131 374415282 /nfs/dbraw/zinc/41/52/82/374415282.db2.gz JVUJLLCIFMCYOJ-UHFFFAOYSA-N 1 1 265.382 2.731 50 0 CFAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCc1ccccn1 ZINC000075133078 374459130 /nfs/dbraw/zinc/45/91/30/374459130.db2.gz RNIIPFRRINJLNX-INIZCTEOSA-N 1 1 284.407 2.812 50 0 CFAAMO CCOC(=O)CCn1c2ccccc2c2c1CC[N@@H+](C)C2 ZINC000075567444 374493034 /nfs/dbraw/zinc/49/30/34/374493034.db2.gz HYRDGIWPNMTJFN-UHFFFAOYSA-N 1 1 286.375 2.582 50 0 CFAAMO CCOC(=O)CCn1c2ccccc2c2c1CC[N@H+](C)C2 ZINC000075567444 374493037 /nfs/dbraw/zinc/49/30/37/374493037.db2.gz HYRDGIWPNMTJFN-UHFFFAOYSA-N 1 1 286.375 2.582 50 0 CFAAMO CCC[N@H+](Cc1csc(COC)n1)CC1CC1 ZINC000075593657 374494062 /nfs/dbraw/zinc/49/40/62/374494062.db2.gz YHKKVZOYDMGJOV-UHFFFAOYSA-N 1 1 254.399 2.912 50 0 CFAAMO c1c[nH+]c([C@H]2CCCN(c3nc4ccccc4o3)C2)[nH]1 ZINC000075721863 374501559 /nfs/dbraw/zinc/50/15/59/374501559.db2.gz JOWIRXNFFMZOBO-NSHDSACASA-N 1 1 268.320 2.935 50 0 CFAAMO Cc1[nH+]cn(Cc2nc(Cc3ccccc3)no2)c1C ZINC000079090714 374592727 /nfs/dbraw/zinc/59/27/27/374592727.db2.gz GQVUZLXKOAHHBD-UHFFFAOYSA-N 1 1 268.320 2.522 50 0 CFAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000082039581 374724160 /nfs/dbraw/zinc/72/41/60/374724160.db2.gz HEDFQICLJAGZFW-MAUPQMMJSA-N 1 1 299.374 2.646 50 0 CFAAMO CCCCc1ncc(CN2C[C@@H](CCC)[C@H]([NH+](C)C)C2)[nH]1 ZINC000082121196 374725973 /nfs/dbraw/zinc/72/59/73/374725973.db2.gz RWIWWZIOBHEFDO-GDBMZVCRSA-N 1 1 292.471 2.914 50 0 CFAAMO CN(C)[C@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000082145723 374728185 /nfs/dbraw/zinc/72/81/85/374728185.db2.gz FDNMRVLIXGJARE-SFHVURJKSA-N 1 1 298.434 2.788 50 0 CFAAMO C[NH+](C)[C@H]1CCCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000082145723 374728188 /nfs/dbraw/zinc/72/81/88/374728188.db2.gz FDNMRVLIXGJARE-SFHVURJKSA-N 1 1 298.434 2.788 50 0 CFAAMO C[N@@H+]1CCN(C(=O)c2cc(Cl)c[nH]2)c2ccccc2C1 ZINC000089382893 374898049 /nfs/dbraw/zinc/89/80/49/374898049.db2.gz ZOIYMTUIQDLUJZ-UHFFFAOYSA-N 1 1 289.766 2.760 50 0 CFAAMO C[N@H+]1CCN(C(=O)c2cc(Cl)c[nH]2)c2ccccc2C1 ZINC000089382893 374898054 /nfs/dbraw/zinc/89/80/54/374898054.db2.gz ZOIYMTUIQDLUJZ-UHFFFAOYSA-N 1 1 289.766 2.760 50 0 CFAAMO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000089688777 374936518 /nfs/dbraw/zinc/93/65/18/374936518.db2.gz VUBIDVFFVQAHLR-CVEARBPZSA-N 1 1 295.448 2.701 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1Cl ZINC000089895445 374967060 /nfs/dbraw/zinc/96/70/60/374967060.db2.gz KVOHADLANLVMFK-JTQLQIEISA-N 1 1 257.761 2.551 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCSC2)c(F)c1 ZINC000089937529 374972600 /nfs/dbraw/zinc/97/26/00/374972600.db2.gz LKYMGJVJQOXPKU-GFCCVEGCSA-N 1 1 283.368 2.550 50 0 CFAAMO C[N@@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCSC1 ZINC000089939160 374973333 /nfs/dbraw/zinc/97/33/33/374973333.db2.gz AFXIQPBMOQAQQE-SNVBAGLBSA-N 1 1 266.341 2.904 50 0 CFAAMO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c[nH]1 ZINC000093453519 375243942 /nfs/dbraw/zinc/24/39/42/375243942.db2.gz KOASQCOPODFFSG-INIZCTEOSA-N 1 1 299.374 2.842 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1OC ZINC000093482860 375251872 /nfs/dbraw/zinc/25/18/72/375251872.db2.gz FGJCFPQVYWOMOZ-HIFRSBDPSA-N 1 1 293.407 2.748 50 0 CFAAMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322563 375209509 /nfs/dbraw/zinc/20/95/09/375209509.db2.gz XZSCDPMBMFSXDX-GJZGRUSLSA-N 1 1 279.428 2.764 50 0 CFAAMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccsc3)C2)cn1 ZINC000093870580 375326099 /nfs/dbraw/zinc/32/60/99/375326099.db2.gz ZKNNLQFEKPRDEZ-LBPRGKRZSA-N 1 1 261.394 2.546 50 0 CFAAMO Cc1ccnc(N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)n1 ZINC000095506586 375461700 /nfs/dbraw/zinc/46/17/00/375461700.db2.gz DTQRHSVTRVWBEB-AWEZNQCLSA-N 1 1 285.395 2.946 50 0 CFAAMO Cc1nccn1CC[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095496704 375461722 /nfs/dbraw/zinc/46/17/22/375461722.db2.gz HLDQBCQMZYJBRH-MRXNPFEDSA-N 1 1 299.418 2.765 50 0 CFAAMO CC(C)[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(F)cc1 ZINC000095972745 375465012 /nfs/dbraw/zinc/46/50/12/375465012.db2.gz CSGZNOILVRNHFN-HNNXBMFYSA-N 1 1 274.343 2.685 50 0 CFAAMO Cc1nc(C[C@@H]2CCCN(c3cc[nH+]cc3Cl)C2)no1 ZINC000095994743 375466396 /nfs/dbraw/zinc/46/63/96/375466396.db2.gz JMDWKJJSOTTXBY-NSHDSACASA-N 1 1 292.770 2.886 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1Cc2ccccc2C1 ZINC000095367461 375420898 /nfs/dbraw/zinc/42/08/98/375420898.db2.gz IZRRRNDFMCXVOT-INIZCTEOSA-N 1 1 272.392 2.793 50 0 CFAAMO CC(C)c1cc(N(C)CC[N@@H+](C)C2CCCC2)ncn1 ZINC000095375993 375425136 /nfs/dbraw/zinc/42/51/36/375425136.db2.gz WMVTZMRQRIYESU-UHFFFAOYSA-N 1 1 276.428 2.911 50 0 CFAAMO CC(=O)NCCC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000095377459 375425184 /nfs/dbraw/zinc/42/51/84/375425184.db2.gz XBZRJNKDEQYBMC-INIZCTEOSA-N 1 1 260.381 2.658 50 0 CFAAMO CSc1nc(-c2cccc([C@H](C)[NH+](C)C)c2)n[nH]1 ZINC000096152736 375470775 /nfs/dbraw/zinc/47/07/75/375470775.db2.gz WDYZKHLLYIVFQZ-VIFPVBQESA-N 1 1 262.382 2.816 50 0 CFAAMO C(C1CCC1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000095404831 375433163 /nfs/dbraw/zinc/43/31/63/375433163.db2.gz ATJGYIIHEPYJOK-OAHLLOKOSA-N 1 1 288.439 2.984 50 0 CFAAMO C[C@@H]1CCCCN1C(=O)CCNc1cc[nH+]cc1Cl ZINC000095408581 375434265 /nfs/dbraw/zinc/43/42/65/375434265.db2.gz ITDWNHGTCOLGEG-LLVKDONJSA-N 1 1 281.787 2.938 50 0 CFAAMO O[C@H](C[C@H]1CCCCC[N@H+]1C[C@@H]1CCOC1)c1ccco1 ZINC000095413219 375436073 /nfs/dbraw/zinc/43/60/73/375436073.db2.gz HHSFVANVNJSTHU-ARFHVFGLSA-N 1 1 293.407 2.984 50 0 CFAAMO COc1ccc([C@@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000095420559 375440952 /nfs/dbraw/zinc/44/09/52/375440952.db2.gz OGSFVHJTUPUMBU-WBMJQRKESA-N 1 1 262.397 2.686 50 0 CFAAMO CCCc1[nH+]ccn1Cc1cn2c(n1)nc(C)cc2C ZINC000095441047 375450733 /nfs/dbraw/zinc/45/07/33/375450733.db2.gz ZWOUYQRWUNJAOE-UHFFFAOYSA-N 1 1 269.352 2.543 50 0 CFAAMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000095451701 375455247 /nfs/dbraw/zinc/45/52/47/375455247.db2.gz WNYJQJFTZIMPJP-QWRGUYRKSA-N 1 1 296.802 2.681 50 0 CFAAMO Cc1cc(C)nc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000097142983 375530045 /nfs/dbraw/zinc/53/00/45/375530045.db2.gz PJCCZRKVSFOUIU-JSGCOSHPSA-N 1 1 290.411 2.502 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000097159371 375533783 /nfs/dbraw/zinc/53/37/83/375533783.db2.gz DYWOOKZIYUEJIR-UHFFFAOYSA-N 1 1 285.391 2.556 50 0 CFAAMO OC1(C(F)(F)F)CC[NH+](Cc2ccsc2)CC1 ZINC000097162258 375533836 /nfs/dbraw/zinc/53/38/36/375533836.db2.gz AVPFBOLKPAYDPZ-UHFFFAOYSA-N 1 1 265.300 2.637 50 0 CFAAMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(N)nc1 ZINC000097162685 375535179 /nfs/dbraw/zinc/53/51/79/375535179.db2.gz GTOMUNJQMLHYJN-UHFFFAOYSA-N 1 1 271.364 2.695 50 0 CFAAMO CCCc1noc([C@@H](C)[NH+]2CCC(c3cn[nH]c3)CC2)n1 ZINC000097203537 375539492 /nfs/dbraw/zinc/53/94/92/375539492.db2.gz PCJHOOOGWSZACL-LLVKDONJSA-N 1 1 289.383 2.686 50 0 CFAAMO Cc1ccsc1C[N@@H+]1CCCO[C@H](CN2CCCC2)C1 ZINC000097088335 375512971 /nfs/dbraw/zinc/51/29/71/375512971.db2.gz FKPWRBDKLQMGEG-OAHLLOKOSA-N 1 1 294.464 2.743 50 0 CFAAMO Cc1ccsc1C[N@H+]1CCCO[C@H](CN2CCCC2)C1 ZINC000097088335 375512982 /nfs/dbraw/zinc/51/29/82/375512982.db2.gz FKPWRBDKLQMGEG-OAHLLOKOSA-N 1 1 294.464 2.743 50 0 CFAAMO Cn1cc(CNC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000097102367 375518430 /nfs/dbraw/zinc/51/84/30/375518430.db2.gz JDWCQNMWYIXXFH-GOSISDBHSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1cc(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000097102367 375518436 /nfs/dbraw/zinc/51/84/36/375518436.db2.gz JDWCQNMWYIXXFH-GOSISDBHSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1cc(C[N@H+]2CCC[C@@](C)(O)C2)c(C2CCCCC2)n1 ZINC000097108465 375521438 /nfs/dbraw/zinc/52/14/38/375521438.db2.gz LMRRIOYZDYXTBU-QGZVFWFLSA-N 1 1 291.439 2.815 50 0 CFAAMO Cc1csc([C@@H](C)NCC[NH+]2CCCCC2)n1 ZINC000097112093 375522952 /nfs/dbraw/zinc/52/29/52/375522952.db2.gz CODHXCJBJNUYKR-GFCCVEGCSA-N 1 1 253.415 2.588 50 0 CFAAMO C[N@@H+](CCc1ccccn1)Cc1cccc(-n2cccn2)c1 ZINC000097113725 375524163 /nfs/dbraw/zinc/52/41/63/375524163.db2.gz LVIQLYXVUQMZOM-UHFFFAOYSA-N 1 1 292.386 2.942 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc3nonc32)no1 ZINC000097823266 375585844 /nfs/dbraw/zinc/58/58/44/375585844.db2.gz YTSAHRFSORADGH-CQSZACIVSA-N 1 1 284.319 2.856 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc3nonc32)no1 ZINC000097823266 375585850 /nfs/dbraw/zinc/58/58/50/375585850.db2.gz YTSAHRFSORADGH-CQSZACIVSA-N 1 1 284.319 2.856 50 0 CFAAMO CN1CC[C@@H](C[N@H+](C)Cc2ccc3cc(O)ccc3c2)C1 ZINC000097259216 375547015 /nfs/dbraw/zinc/54/70/15/375547015.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 1 1 284.403 2.929 50 0 CFAAMO CN1CC[C@@H](C[N@@H+](C)Cc2ccc3cc(O)ccc3c2)C1 ZINC000097259216 375547018 /nfs/dbraw/zinc/54/70/18/375547018.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 1 1 284.403 2.929 50 0 CFAAMO CN(Cc1ccc2cc(O)ccc2c1)C[C@@H]1CC[N@H+](C)C1 ZINC000097259216 375547023 /nfs/dbraw/zinc/54/70/23/375547023.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 1 1 284.403 2.929 50 0 CFAAMO CN(Cc1ccc2cc(O)ccc2c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000097259216 375547029 /nfs/dbraw/zinc/54/70/29/375547029.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 1 1 284.403 2.929 50 0 CFAAMO CC(C)c1ncc(C[N@H+]2CCCC3(CCOCC3)C2)cn1 ZINC000097413406 375558095 /nfs/dbraw/zinc/55/80/95/375558095.db2.gz ABPQTJWPUMHNKL-UHFFFAOYSA-N 1 1 289.423 2.993 50 0 CFAAMO Cc1ccc(C[N@H+](C)CC(=O)NCCC(C)(C)C)cc1 ZINC000097473224 375564149 /nfs/dbraw/zinc/56/41/49/375564149.db2.gz RNLOFXBMMQDVCB-UHFFFAOYSA-N 1 1 276.424 2.979 50 0 CFAAMO Cc1ccc(C[N@@H+](C)CC(=O)NCCC(C)(C)C)cc1 ZINC000097473224 375564158 /nfs/dbraw/zinc/56/41/58/375564158.db2.gz RNLOFXBMMQDVCB-UHFFFAOYSA-N 1 1 276.424 2.979 50 0 CFAAMO CSc1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000097474883 375564917 /nfs/dbraw/zinc/56/49/17/375564917.db2.gz QLJPVAJTFDZAEO-CYBMUJFWSA-N 1 1 251.395 2.755 50 0 CFAAMO OCC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000097495124 375566458 /nfs/dbraw/zinc/56/64/58/375566458.db2.gz XBDUBTFBMYRHGE-LLVKDONJSA-N 1 1 257.736 2.826 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000097635127 375575332 /nfs/dbraw/zinc/57/53/32/375575332.db2.gz UOLCTJNRDZJJEP-OMDKTOEGSA-N 1 1 298.390 2.706 50 0 CFAAMO COc1ccc(C[N@H+](C)Cc2c[nH]nc2C)c(OC)c1C ZINC000097681696 375579495 /nfs/dbraw/zinc/57/94/95/375579495.db2.gz ZTALTSRSCJQZNI-UHFFFAOYSA-N 1 1 289.379 2.676 50 0 CFAAMO COc1ccc(C[N@@H+](C)Cc2c[nH]nc2C)c(OC)c1C ZINC000097681696 375579498 /nfs/dbraw/zinc/57/94/98/375579498.db2.gz ZTALTSRSCJQZNI-UHFFFAOYSA-N 1 1 289.379 2.676 50 0 CFAAMO COC(=O)CCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000116389529 376184833 /nfs/dbraw/zinc/18/48/33/376184833.db2.gz SLDYWVHOPKYJBD-LLVKDONJSA-N 1 1 268.382 2.623 50 0 CFAAMO COC(=O)CCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000116389529 376184839 /nfs/dbraw/zinc/18/48/39/376184839.db2.gz SLDYWVHOPKYJBD-LLVKDONJSA-N 1 1 268.382 2.623 50 0 CFAAMO C[N@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CCSC1 ZINC000120006831 376527154 /nfs/dbraw/zinc/52/71/54/376527154.db2.gz IPEABQOKXZSLBU-OAHLLOKOSA-N 1 1 287.432 2.869 50 0 CFAAMO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CCSC1 ZINC000120006831 376527163 /nfs/dbraw/zinc/52/71/63/376527163.db2.gz IPEABQOKXZSLBU-OAHLLOKOSA-N 1 1 287.432 2.869 50 0 CFAAMO C[NH+]1CCN(CCCSc2cccc(F)c2)CC1 ZINC000130964655 377637366 /nfs/dbraw/zinc/63/73/66/377637366.db2.gz JYROYBMCDKCROC-UHFFFAOYSA-N 1 1 268.401 2.555 50 0 CFAAMO c1cnn(CC2CC[NH+](Cc3n[nH]c4ccccc43)CC2)c1 ZINC000019145639 542219469 /nfs/dbraw/zinc/21/94/69/542219469.db2.gz YTUSWRDAHMWMTI-UHFFFAOYSA-N 1 1 295.390 2.672 50 0 CFAAMO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1nc(C2CC2)no1 ZINC000132482838 377846122 /nfs/dbraw/zinc/84/61/22/377846122.db2.gz SXOZLSXVZICMGI-ONGXEEELSA-N 1 1 279.384 2.944 50 0 CFAAMO Clc1ccccc1O[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000133353876 377924028 /nfs/dbraw/zinc/92/40/28/377924028.db2.gz AXCXPXQKNDJFDP-CYBMUJFWSA-N 1 1 291.782 2.690 50 0 CFAAMO c1nc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cs1 ZINC000172556324 379596166 /nfs/dbraw/zinc/59/61/66/379596166.db2.gz YTEBMJLVPWQMJG-GFCCVEGCSA-N 1 1 299.403 2.565 50 0 CFAAMO c1nc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cs1 ZINC000172556324 379596174 /nfs/dbraw/zinc/59/61/74/379596174.db2.gz YTEBMJLVPWQMJG-GFCCVEGCSA-N 1 1 299.403 2.565 50 0 CFAAMO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)[nH]1 ZINC000334636924 379677881 /nfs/dbraw/zinc/67/78/81/379677881.db2.gz HPQKBPGMVBBRLK-SECBINFHSA-N 1 1 282.800 2.818 50 0 CFAAMO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000334636924 379677889 /nfs/dbraw/zinc/67/78/89/379677889.db2.gz HPQKBPGMVBBRLK-SECBINFHSA-N 1 1 282.800 2.818 50 0 CFAAMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000334636924 379677894 /nfs/dbraw/zinc/67/78/94/379677894.db2.gz HPQKBPGMVBBRLK-SECBINFHSA-N 1 1 282.800 2.818 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000000238039 169583139 /nfs/dbraw/zinc/58/31/39/169583139.db2.gz HAJJREGFCZYOOJ-ZDUSSCGKSA-N 1 1 265.328 2.601 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)CCc1ccccc1 ZINC000299773710 382045590 /nfs/dbraw/zinc/04/55/90/382045590.db2.gz FKDHOEQUQZMJND-UHFFFAOYSA-N 1 1 257.381 2.744 50 0 CFAAMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189060563 382533633 /nfs/dbraw/zinc/53/36/33/382533633.db2.gz KMYQREVSDNVTDC-SNVBAGLBSA-N 1 1 284.762 2.567 50 0 CFAAMO Cc1csc2c1ncnc2N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000189976901 382647900 /nfs/dbraw/zinc/64/79/00/382647900.db2.gz DXNQDWWBTWMUBJ-GFCCVEGCSA-N 1 1 288.420 2.674 50 0 CFAAMO Cc1occc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193804489 382725781 /nfs/dbraw/zinc/72/57/81/382725781.db2.gz WOQGUHQPUKEUCQ-MRXNPFEDSA-N 1 1 298.386 2.840 50 0 CFAAMO C[C@H]1CCCC[C@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000195560421 382769803 /nfs/dbraw/zinc/76/98/03/382769803.db2.gz VQPBCXLSNVDNAQ-GJZGRUSLSA-N 1 1 267.413 2.694 50 0 CFAAMO CC(C)c1nc(C[N@H+](C)[C@@H](C)Cc2cnccn2)co1 ZINC000214950299 382777031 /nfs/dbraw/zinc/77/70/31/382777031.db2.gz AONWWMGZDRTPNY-LBPRGKRZSA-N 1 1 274.368 2.651 50 0 CFAAMO CC(C)c1nc(C[N@@H+](C)[C@@H](C)Cc2cnccn2)co1 ZINC000214950299 382777033 /nfs/dbraw/zinc/77/70/33/382777033.db2.gz AONWWMGZDRTPNY-LBPRGKRZSA-N 1 1 274.368 2.651 50 0 CFAAMO c1cnn(CCC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000214954813 382777129 /nfs/dbraw/zinc/77/71/29/382777129.db2.gz JOTKORJTUYGPGA-UHFFFAOYSA-N 1 1 276.409 2.642 50 0 CFAAMO C[N@@H+]1CCN(Cc2cscn2)C[C@@H]1c1ccccc1 ZINC000215009860 382777385 /nfs/dbraw/zinc/77/73/85/382777385.db2.gz MCHPXFRQWAKGHB-OAHLLOKOSA-N 1 1 273.405 2.632 50 0 CFAAMO C[N@H+]1CCN(Cc2cscn2)C[C@@H]1c1ccccc1 ZINC000215009860 382777386 /nfs/dbraw/zinc/77/73/86/382777386.db2.gz MCHPXFRQWAKGHB-OAHLLOKOSA-N 1 1 273.405 2.632 50 0 CFAAMO CC(C)c1ncc(CN2CCc3n[nH]c(C4CC4)c3C2)cn1 ZINC000215387024 382778529 /nfs/dbraw/zinc/77/85/29/382778529.db2.gz JBZTWEWYLRDHHE-UHFFFAOYSA-N 1 1 297.406 2.759 50 0 CFAAMO CC(C)c1ncc(C[N@@H+]2CCc3[nH]nc(C4CC4)c3C2)cn1 ZINC000215387024 382778530 /nfs/dbraw/zinc/77/85/30/382778530.db2.gz JBZTWEWYLRDHHE-UHFFFAOYSA-N 1 1 297.406 2.759 50 0 CFAAMO CC(C)c1ncc(C[N@H+]2CCc3[nH]nc(C4CC4)c3C2)cn1 ZINC000215387024 382778532 /nfs/dbraw/zinc/77/85/32/382778532.db2.gz JBZTWEWYLRDHHE-UHFFFAOYSA-N 1 1 297.406 2.759 50 0 CFAAMO CC(C)c1ncc(C[N@@H+]2CCc3n[nH]c(C4CC4)c3C2)cn1 ZINC000215387024 382778533 /nfs/dbraw/zinc/77/85/33/382778533.db2.gz JBZTWEWYLRDHHE-UHFFFAOYSA-N 1 1 297.406 2.759 50 0 CFAAMO CC(C)c1ncc(C[N@H+]2CCc3n[nH]c(C4CC4)c3C2)cn1 ZINC000215387024 382778535 /nfs/dbraw/zinc/77/85/35/382778535.db2.gz JBZTWEWYLRDHHE-UHFFFAOYSA-N 1 1 297.406 2.759 50 0 CFAAMO COCc1cc(C[N@H+](C)Cc2cc(C)n[nH]2)ccc1OC ZINC000215588703 382779717 /nfs/dbraw/zinc/77/97/17/382779717.db2.gz XLCQMSFUESNEBE-UHFFFAOYSA-N 1 1 289.379 2.505 50 0 CFAAMO COCc1cc(C[N@@H+](C)Cc2cc(C)n[nH]2)ccc1OC ZINC000215588703 382779720 /nfs/dbraw/zinc/77/97/20/382779720.db2.gz XLCQMSFUESNEBE-UHFFFAOYSA-N 1 1 289.379 2.505 50 0 CFAAMO CS[C@H](C)CC[N@@H+](C)CCn1nc(C)cc1C ZINC000215959279 382781469 /nfs/dbraw/zinc/78/14/69/382781469.db2.gz LVJYVQGHHHTPTQ-CYBMUJFWSA-N 1 1 255.431 2.573 50 0 CFAAMO CCc1ccc(C[N@@H+](C)CCC2(O)CCCC2)o1 ZINC000215924508 382781475 /nfs/dbraw/zinc/78/14/75/382781475.db2.gz HDSCTFUZDTWJFF-UHFFFAOYSA-N 1 1 251.370 2.969 50 0 CFAAMO COC[C@H]1CC[N@@H+](C/C=C/c2ccc(OC)cc2)C1 ZINC000216198617 382782499 /nfs/dbraw/zinc/78/24/99/382782499.db2.gz AEZAIKLJAIYQAU-BWPKMQGJSA-N 1 1 261.365 2.677 50 0 CFAAMO CS[C@H](C)CC[N@H+]1CCCN(Cc2ccccn2)CC1 ZINC000216438940 382783595 /nfs/dbraw/zinc/78/35/95/382783595.db2.gz STIDZYPIJXVWRJ-OAHLLOKOSA-N 1 1 293.480 2.731 50 0 CFAAMO Cn1cc(CC[N@@H+](C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cn1 ZINC000216503867 382783730 /nfs/dbraw/zinc/78/37/30/382783730.db2.gz SIOBXOOYWLSZJD-HOTGVXAUSA-N 1 1 273.424 2.887 50 0 CFAAMO COc1cc(CNC[C@H]2CCC[N@@H+]2C)ccc1OC(C)C ZINC000221157732 382797385 /nfs/dbraw/zinc/79/73/85/382797385.db2.gz DXCZFJCADJLELH-OAHLLOKOSA-N 1 1 292.423 2.666 50 0 CFAAMO COc1cc(CNC[C@H]2CCC[N@H+]2C)ccc1OC(C)C ZINC000221157732 382797386 /nfs/dbraw/zinc/79/73/86/382797386.db2.gz DXCZFJCADJLELH-OAHLLOKOSA-N 1 1 292.423 2.666 50 0 CFAAMO CC[N@H+]1CC[C@@H](Nc2ccccc2COC)[C@@H](C)C1 ZINC000221870946 382799898 /nfs/dbraw/zinc/79/98/98/382799898.db2.gz ISVQEAFERUVLQD-DZGCQCFKSA-N 1 1 262.397 2.975 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2)on1 ZINC000222039505 382800345 /nfs/dbraw/zinc/80/03/45/382800345.db2.gz UJPYNEKCQBOWSF-LSDHHAIUSA-N 1 1 272.348 2.854 50 0 CFAAMO C[C@H](CC[N@H+](C)[C@@H](C)C[S@@](C)=O)c1ccccc1 ZINC000221936618 382800356 /nfs/dbraw/zinc/80/03/56/382800356.db2.gz FRANEKMOHVLMRS-QWQRMKEZSA-N 1 1 267.438 2.879 50 0 CFAAMO Cc1ccc(C[N@H+](C)CCN(C)C)c2cccnc12 ZINC000223127028 382804205 /nfs/dbraw/zinc/80/42/05/382804205.db2.gz GOEMCJQLHIXHIF-UHFFFAOYSA-N 1 1 257.381 2.537 50 0 CFAAMO Cc1ccc(CN(C)CC[NH+](C)C)c2cccnc12 ZINC000223127028 382804206 /nfs/dbraw/zinc/80/42/06/382804206.db2.gz GOEMCJQLHIXHIF-UHFFFAOYSA-N 1 1 257.381 2.537 50 0 CFAAMO c1cn(CCC[N@H+]2CCCc3sccc3C2)cn1 ZINC000225548506 382818245 /nfs/dbraw/zinc/81/82/45/382818245.db2.gz YXYXFRMPSYCFKX-UHFFFAOYSA-N 1 1 261.394 2.783 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000229709241 382852958 /nfs/dbraw/zinc/85/29/58/382852958.db2.gz HFFRCPGMPGSXHK-UONOGXRCSA-N 1 1 251.395 2.547 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000241587977 382983476 /nfs/dbraw/zinc/98/34/76/382983476.db2.gz OYRYNFXCKLFHQG-ZJIFWQFVSA-N 1 1 295.471 2.985 50 0 CFAAMO CC[N@@H+](C)[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000241644681 382983659 /nfs/dbraw/zinc/98/36/59/382983659.db2.gz PSQUPPMMUBMSFA-NSHDSACASA-N 1 1 273.302 2.631 50 0 CFAAMO c1cc2c(cc1[C@@H]1CCC[N@@H+]1C[C@H]1CCOC1)OCCO2 ZINC000241316888 382983898 /nfs/dbraw/zinc/98/38/98/382983898.db2.gz LVSFXYGSZSENNJ-HIFRSBDPSA-N 1 1 289.375 2.631 50 0 CFAAMO CCc1ccc(C[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000242463367 382985598 /nfs/dbraw/zinc/98/55/98/382985598.db2.gz CZHRRKKPZIBEFS-CKEIUWERSA-N 1 1 261.409 2.883 50 0 CFAAMO O[C@]12CCCC[C@H]1C[N@@H+](CCCc1ccco1)CC2 ZINC000244659829 382989566 /nfs/dbraw/zinc/98/95/66/382989566.db2.gz HJOPNROZYJCECL-HOCLYGCPSA-N 1 1 263.381 2.839 50 0 CFAAMO Cc1nc(CC[N@@H+](C)CCCc2c(C)n[nH]c2C)cs1 ZINC000244724060 382991837 /nfs/dbraw/zinc/99/18/37/382991837.db2.gz MMVSPUSHGIXPNR-UHFFFAOYSA-N 1 1 292.452 2.899 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@@H+](CCCc3cccnc3)C2)n1 ZINC000244794546 382992417 /nfs/dbraw/zinc/99/24/17/382992417.db2.gz QOUIUYQJWMLCDI-KRWDZBQOSA-N 1 1 284.407 2.775 50 0 CFAAMO CCc1ncc(C[N@H+](CCOC)Cc2ccccc2C)cn1 ZINC000244874762 382994468 /nfs/dbraw/zinc/99/44/68/382994468.db2.gz XGXSGVNWKMURIU-UHFFFAOYSA-N 1 1 299.418 2.996 50 0 CFAAMO CCc1ncc(C[N@@H+](CCOC)Cc2ccccc2C)cn1 ZINC000244874762 382994472 /nfs/dbraw/zinc/99/44/72/382994472.db2.gz XGXSGVNWKMURIU-UHFFFAOYSA-N 1 1 299.418 2.996 50 0 CFAAMO C[N@@H+](CCOc1ccccc1)CC[C@H]1CCCCO1 ZINC000244899640 382995847 /nfs/dbraw/zinc/99/58/47/382995847.db2.gz ZNFAAEARGPFBJU-MRXNPFEDSA-N 1 1 263.381 2.956 50 0 CFAAMO O[C@@H](C[N@@H+](C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000245339343 382997459 /nfs/dbraw/zinc/99/74/59/382997459.db2.gz SDVBRRUTFLVHJS-CVEARBPZSA-N 1 1 279.355 2.503 50 0 CFAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000247084260 383141604 /nfs/dbraw/zinc/14/16/04/383141604.db2.gz HFNMMTITZWRULZ-HUUCEWRRSA-N 1 1 277.412 2.743 50 0 CFAAMO CCOCCN1CC[N@@H+](CC2CCCCC2)C[C@H]1C ZINC000247390848 383169682 /nfs/dbraw/zinc/16/96/82/383169682.db2.gz XCJITTMHMVXRTN-OAHLLOKOSA-N 1 1 268.445 2.609 50 0 CFAAMO CCOCCN1CC[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC000247399526 383169749 /nfs/dbraw/zinc/16/97/49/383169749.db2.gz YHRFFBSZTCOEOK-QGZVFWFLSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@@H+]1CCN(CCCc2ccccc2)C[C@H]1C ZINC000247399526 383169752 /nfs/dbraw/zinc/16/97/52/383169752.db2.gz YHRFFBSZTCOEOK-QGZVFWFLSA-N 1 1 290.451 2.662 50 0 CFAAMO CCOCC[N@H+]1CCN(CCCc2ccccc2)C[C@H]1C ZINC000247399526 383169757 /nfs/dbraw/zinc/16/97/57/383169757.db2.gz YHRFFBSZTCOEOK-QGZVFWFLSA-N 1 1 290.451 2.662 50 0 CFAAMO CCc1nn(C)cc1C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000248887820 383304104 /nfs/dbraw/zinc/30/41/04/383304104.db2.gz AJJXNVUAHFGBSY-DYVFJYSZSA-N 1 1 284.407 2.961 50 0 CFAAMO [NH3+][C@H]1CCC[N@@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426494338 383403074 /nfs/dbraw/zinc/40/30/74/383403074.db2.gz PCQMRZODOWZNMP-ZDUSSCGKSA-N 1 1 293.842 2.732 50 0 CFAAMO [NH3+][C@H]1CCC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426494338 383403077 /nfs/dbraw/zinc/40/30/77/383403077.db2.gz PCQMRZODOWZNMP-ZDUSSCGKSA-N 1 1 293.842 2.732 50 0 CFAAMO Cc1nc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c[nH]1 ZINC000426642885 383408224 /nfs/dbraw/zinc/40/82/24/383408224.db2.gz KXVWPWWEQWUHMP-LBPRGKRZSA-N 1 1 271.364 2.778 50 0 CFAAMO Cc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)c[nH+]c1N ZINC000252491596 383413012 /nfs/dbraw/zinc/41/30/12/383413012.db2.gz LOHXQXINGZAFFC-AWEZNQCLSA-N 1 1 281.359 2.568 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000249698272 383356972 /nfs/dbraw/zinc/35/69/72/383356972.db2.gz VUJNITCHSFCSGP-LSDHHAIUSA-N 1 1 292.448 2.766 50 0 CFAAMO C[N@@H+](CCn1cnc2ccccc21)C[C@H]1CCCCO1 ZINC000252500556 383413944 /nfs/dbraw/zinc/41/39/44/383413944.db2.gz SXQWHHBQEHWTHQ-CQSZACIVSA-N 1 1 273.380 2.537 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2cncn2C2CCCCC2)CCCO1 ZINC000252504542 383414977 /nfs/dbraw/zinc/41/49/77/383414977.db2.gz VJYJJBYMGBPQHQ-CQSZACIVSA-N 1 1 277.412 2.999 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cncn2C2CCCCC2)CCCO1 ZINC000252504542 383414981 /nfs/dbraw/zinc/41/49/81/383414981.db2.gz VJYJJBYMGBPQHQ-CQSZACIVSA-N 1 1 277.412 2.999 50 0 CFAAMO COC[C@H]1CCC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000253393293 383454898 /nfs/dbraw/zinc/45/48/98/383454898.db2.gz YZNGYNJFPLSVNR-GOEBONIOSA-N 1 1 263.381 2.733 50 0 CFAAMO O=C1CCCN1CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000253425518 383458722 /nfs/dbraw/zinc/45/87/22/383458722.db2.gz FLQYHCCYMNXOPI-DVQDXYAYSA-N 1 1 284.403 2.787 50 0 CFAAMO C[C@@H]1C[N@H+](CC(=O)c2ccccc2O)C[C@@H]2C=CC=C[C@@H]21 ZINC000253589390 383464414 /nfs/dbraw/zinc/46/44/14/383464414.db2.gz GAEFYVMKRUECDH-QLFBSQMISA-N 1 1 283.371 2.885 50 0 CFAAMO C[C@@H]1C[N@@H+](CC(=O)c2ccccc2O)C[C@@H]2C=CC=C[C@@H]21 ZINC000253589390 383464418 /nfs/dbraw/zinc/46/44/18/383464418.db2.gz GAEFYVMKRUECDH-QLFBSQMISA-N 1 1 283.371 2.885 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)NC(C)C)C2)n1C(C)C ZINC000257182274 383491089 /nfs/dbraw/zinc/49/10/89/383491089.db2.gz OVNNXTWQAFIWDL-AWEZNQCLSA-N 1 1 292.427 2.755 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)N(C)C)C2)n1C(C)C ZINC000257196735 383493059 /nfs/dbraw/zinc/49/30/59/383493059.db2.gz YUCZBSHTJZVRLG-AWEZNQCLSA-N 1 1 292.427 2.709 50 0 CFAAMO C[N@@H+]([C@@H](CC(N)=O)c1ccccc1)[C@@H]1C=CCCC1 ZINC000280246317 384941680 /nfs/dbraw/zinc/94/16/80/384941680.db2.gz BFOLBTPTFZXOJN-CABCVRRESA-N 1 1 258.365 2.644 50 0 CFAAMO OCCC[C@H]1CCC[N@H+]1CCOC1CCCCCC1 ZINC000096420046 256761314 /nfs/dbraw/zinc/76/13/14/256761314.db2.gz PRGTYJZEZAIRDW-OAHLLOKOSA-N 1 1 269.429 2.963 50 0 CFAAMO Cc1nnc(C[N@H+](CC(C)C)CC(C)(C)C)n1C ZINC000095416720 184973290 /nfs/dbraw/zinc/97/32/90/184973290.db2.gz HUOKFGFAZDITQA-UHFFFAOYSA-N 1 1 252.406 2.628 50 0 CFAAMO COc1ccc(C[N@@H+]2CC[C@H](N3CCCC3)C2)c(C)c1C ZINC000097805578 533568404 /nfs/dbraw/zinc/56/84/04/533568404.db2.gz HWLQODOEPLGIAJ-KRWDZBQOSA-N 1 1 288.435 2.982 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@H](N3CCCC3)C2)c(C)c1C ZINC000097805578 533568407 /nfs/dbraw/zinc/56/84/07/533568407.db2.gz HWLQODOEPLGIAJ-KRWDZBQOSA-N 1 1 288.435 2.982 50 0 CFAAMO OC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000015306875 393481288 /nfs/dbraw/zinc/48/12/88/393481288.db2.gz KNYARWLSLZTMJE-UHFFFAOYSA-N 1 1 274.389 2.767 50 0 CFAAMO CO[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000300036618 393464839 /nfs/dbraw/zinc/46/48/39/393464839.db2.gz BDSMUFWPXTXGLM-MRVPVSSYSA-N 1 1 276.199 2.731 50 0 CFAAMO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000300036618 393464842 /nfs/dbraw/zinc/46/48/42/393464842.db2.gz BDSMUFWPXTXGLM-MRVPVSSYSA-N 1 1 276.199 2.731 50 0 CFAAMO Cc1ccc(C(C)(C)C)c(OCC[NH+]2CCN(C)CC2)c1 ZINC000020118275 393485685 /nfs/dbraw/zinc/48/56/85/393485685.db2.gz DDZPSNRGLLNJBP-UHFFFAOYSA-N 1 1 290.451 2.919 50 0 CFAAMO CC[C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000030142312 393504979 /nfs/dbraw/zinc/50/49/79/393504979.db2.gz BZEVFWYCNLSODX-LBPRGKRZSA-N 1 1 271.364 2.545 50 0 CFAAMO CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000030142312 393504982 /nfs/dbraw/zinc/50/49/82/393504982.db2.gz BZEVFWYCNLSODX-LBPRGKRZSA-N 1 1 271.364 2.545 50 0 CFAAMO CC(C)SCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000306009322 393505322 /nfs/dbraw/zinc/50/53/22/393505322.db2.gz KBWLIXDSYIEKFR-KBPBESRZSA-N 1 1 257.443 2.755 50 0 CFAAMO CC[C@@H](CNC(=O)c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000032445805 393513127 /nfs/dbraw/zinc/51/31/27/393513127.db2.gz YDPQUWNBRQDBIY-INIZCTEOSA-N 1 1 298.386 2.846 50 0 CFAAMO CC(C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032754420 393514807 /nfs/dbraw/zinc/51/48/07/393514807.db2.gz YYDIUYNYQDDNRK-UHFFFAOYSA-N 1 1 266.772 2.506 50 0 CFAAMO Cc1cc(C[N@H+](C)C2(C(N)=O)CCCC2)c2ccccc2n1 ZINC000093214189 393795923 /nfs/dbraw/zinc/79/59/23/393795923.db2.gz BSFRZBYFPGSZLW-UHFFFAOYSA-N 1 1 297.402 2.773 50 0 CFAAMO COc1ccccc1C1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000240128314 393798102 /nfs/dbraw/zinc/79/81/02/393798102.db2.gz IPQVTUCJVOMPHN-MRXNPFEDSA-N 1 1 288.435 2.969 50 0 CFAAMO COc1ccccc1C1CC[NH+](C[C@H]2CCCN2C)CC1 ZINC000240128314 393798104 /nfs/dbraw/zinc/79/81/04/393798104.db2.gz IPQVTUCJVOMPHN-MRXNPFEDSA-N 1 1 288.435 2.969 50 0 CFAAMO Cc1cnccc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000244795802 393798659 /nfs/dbraw/zinc/79/86/59/393798659.db2.gz RNXGBCXAMLLBKR-UHFFFAOYSA-N 1 1 252.361 2.989 50 0 CFAAMO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)s1 ZINC000096404197 393821429 /nfs/dbraw/zinc/82/14/29/393821429.db2.gz ZXEOXGDTQPGSPR-OLZOCXBDSA-N 1 1 295.452 2.711 50 0 CFAAMO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)s1 ZINC000096404198 393821644 /nfs/dbraw/zinc/82/16/44/393821644.db2.gz ZXEOXGDTQPGSPR-STQMWFEESA-N 1 1 295.452 2.711 50 0 CFAAMO OCCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000096407693 393822690 /nfs/dbraw/zinc/82/26/90/393822690.db2.gz YWUTVHNHCHOZPX-ZDUSSCGKSA-N 1 1 271.813 2.812 50 0 CFAAMO OCCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000096407693 393822695 /nfs/dbraw/zinc/82/26/95/393822695.db2.gz YWUTVHNHCHOZPX-ZDUSSCGKSA-N 1 1 271.813 2.812 50 0 CFAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccn1 ZINC000096424136 393829959 /nfs/dbraw/zinc/82/99/59/393829959.db2.gz DODNJBPFNNHBBS-CQSZACIVSA-N 1 1 293.374 2.855 50 0 CFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CSc2ccccc2)C1 ZINC000096432435 393832539 /nfs/dbraw/zinc/83/25/39/393832539.db2.gz NACDWLVUMFFGPL-CQSZACIVSA-N 1 1 292.448 2.579 50 0 CFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096432446 393832716 /nfs/dbraw/zinc/83/27/16/393832716.db2.gz BITXAXUFNWRKTG-ZDUSSCGKSA-N 1 1 285.391 2.582 50 0 CFAAMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000108497329 393875192 /nfs/dbraw/zinc/87/51/92/393875192.db2.gz SMLMQJYEXHKRDL-ZDUSSCGKSA-N 1 1 287.407 2.639 50 0 CFAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc2[nH]ccc2c1 ZINC000252495513 393936274 /nfs/dbraw/zinc/93/62/74/393936274.db2.gz ORXGKDOXVKSDRF-UHFFFAOYSA-N 1 1 268.364 2.924 50 0 CFAAMO CC(C)(C)C[N@@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000253473440 393941612 /nfs/dbraw/zinc/94/16/12/393941612.db2.gz UWWNZJSHCBSUOQ-CQSZACIVSA-N 1 1 281.421 2.581 50 0 CFAAMO CC(C)(C)C[N@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000253473440 393941617 /nfs/dbraw/zinc/94/16/17/393941617.db2.gz UWWNZJSHCBSUOQ-CQSZACIVSA-N 1 1 281.421 2.581 50 0 CFAAMO CC(C)C[N@H+]1CCCN(Cc2ccsc2)CC1 ZINC000360075123 394145749 /nfs/dbraw/zinc/14/57/49/394145749.db2.gz LEKZNKFKQHBENM-UHFFFAOYSA-N 1 1 252.427 2.912 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CC=CCC2)ccn1 ZINC000047012841 397583753 /nfs/dbraw/zinc/58/37/53/397583753.db2.gz GPRLAGWFGXYNEY-HNNXBMFYSA-N 1 1 296.374 2.548 50 0 CFAAMO Cn1ncnc1C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000328587065 397647081 /nfs/dbraw/zinc/64/70/81/397647081.db2.gz MCCLBAGVMHKAAD-ZDUSSCGKSA-N 1 1 288.370 2.724 50 0 CFAAMO Cn1ncnc1C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000328587065 397647085 /nfs/dbraw/zinc/64/70/85/397647085.db2.gz MCCLBAGVMHKAAD-ZDUSSCGKSA-N 1 1 288.370 2.724 50 0 CFAAMO C[C@H](c1cccnc1)[N@@H+]1CCN(c2nccs2)[C@H](C)C1 ZINC000108075466 397597823 /nfs/dbraw/zinc/59/78/23/397597823.db2.gz KBDZETBICNYCQR-CHWSQXEVSA-N 1 1 288.420 2.810 50 0 CFAAMO C[C@H](c1cccnc1)[N@H+]1CCN(c2nccs2)[C@H](C)C1 ZINC000108075466 397597824 /nfs/dbraw/zinc/59/78/24/397597824.db2.gz KBDZETBICNYCQR-CHWSQXEVSA-N 1 1 288.420 2.810 50 0 CFAAMO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@H](COC)C2)[nH]1 ZINC000215278905 397619002 /nfs/dbraw/zinc/61/90/02/397619002.db2.gz UFJASRSQFBDELI-NSHDSACASA-N 1 1 285.819 2.874 50 0 CFAAMO CCCCc1nc(Cl)c(C[N@H+]2CC[C@H](COC)C2)[nH]1 ZINC000215278905 397619005 /nfs/dbraw/zinc/61/90/05/397619005.db2.gz UFJASRSQFBDELI-NSHDSACASA-N 1 1 285.819 2.874 50 0 CFAAMO CCc1nccc(C[N@H+](C)[C@H](C)c2cccnc2)n1 ZINC000215146118 397619035 /nfs/dbraw/zinc/61/90/35/397619035.db2.gz DMEMXUGJSAKENZ-GFCCVEGCSA-N 1 1 256.353 2.627 50 0 CFAAMO CCc1nccc(C[N@@H+](C)[C@H](C)c2cccnc2)n1 ZINC000215146118 397619037 /nfs/dbraw/zinc/61/90/37/397619037.db2.gz DMEMXUGJSAKENZ-GFCCVEGCSA-N 1 1 256.353 2.627 50 0 CFAAMO Cc1nccn1CC[N@@H+](C)CCCc1ccccc1 ZINC000215219759 397619080 /nfs/dbraw/zinc/61/90/80/397619080.db2.gz OXKJBXCFOQEUQS-UHFFFAOYSA-N 1 1 257.381 2.756 50 0 CFAAMO CO[C@H]1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000215281936 397619151 /nfs/dbraw/zinc/61/91/51/397619151.db2.gz DQCFCTZOXMTSIT-KRWDZBQOSA-N 1 1 285.391 2.542 50 0 CFAAMO CCCn1cc(CN(C)C[C@@H]2CCCC[N@H+]2C)c(C)n1 ZINC000216412288 397620176 /nfs/dbraw/zinc/62/01/76/397620176.db2.gz IWZARZZHMDJRIH-INIZCTEOSA-N 1 1 278.444 2.518 50 0 CFAAMO Clc1ccc2c(c1)C[N@H+](C[C@H]1CCOC1)CCO2 ZINC000216531334 397620229 /nfs/dbraw/zinc/62/02/29/397620229.db2.gz WDIPNZFCELMYOO-LLVKDONJSA-N 1 1 267.756 2.571 50 0 CFAAMO Cc1ccc([C@@H](C(=O)NCCSC(C)C)[NH+](C)C)cc1 ZINC000091624834 292190264 /nfs/dbraw/zinc/19/02/64/292190264.db2.gz JIZHPWRDKSRGSC-HNNXBMFYSA-N 1 1 294.464 2.856 50 0 CFAAMO CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(F)cc1 ZINC000095967807 286919746 /nfs/dbraw/zinc/91/97/46/286919746.db2.gz VANCZKSBRLNGBW-WMLDXEAASA-N 1 1 293.430 2.502 50 0 CFAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000004723241 170005589 /nfs/dbraw/zinc/00/55/89/170005589.db2.gz MLOHPDFHPUZMAS-QGZVFWFLSA-N 1 1 286.419 2.911 50 0 CFAAMO O[C@H](COCc1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000005073879 170064285 /nfs/dbraw/zinc/06/42/85/170064285.db2.gz WPJZTIVXTMTTDV-IBGZPJMESA-N 1 1 297.398 2.622 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)c2ccccc2Br)C1 ZINC000005445311 170099924 /nfs/dbraw/zinc/09/99/24/170099924.db2.gz MTBWTESSKIGQPL-JTQLQIEISA-N 1 1 298.180 2.700 50 0 CFAAMO COc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000006007647 170167826 /nfs/dbraw/zinc/16/78/26/170167826.db2.gz OXMWHERAWFMKDW-QLFBSQMISA-N 1 1 293.407 2.698 50 0 CFAAMO Cc1cc(C)cc(NC2=[NH+]C3(CCCCC3)NC(=N)N2)c1 ZINC000006549386 170212028 /nfs/dbraw/zinc/21/20/28/170212028.db2.gz YGRSHCRKYDOMSA-UHFFFAOYSA-N 1 1 285.395 2.650 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000006702374 170229649 /nfs/dbraw/zinc/22/96/49/170229649.db2.gz KYWBWUCZGVWJDG-OAHLLOKOSA-N 1 1 291.391 2.649 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000007636286 170294331 /nfs/dbraw/zinc/29/43/31/170294331.db2.gz VFTQWCJTJYHRER-GOSISDBHSA-N 1 1 297.398 2.793 50 0 CFAAMO C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCCCCC1 ZINC000008119186 170319483 /nfs/dbraw/zinc/31/94/83/170319483.db2.gz ICGJNTPWOLUMJC-LLVKDONJSA-N 1 1 281.787 2.938 50 0 CFAAMO Fc1cccc(Cl)c1C[NH2+]CCN1CCCC1 ZINC000020126957 171012474 /nfs/dbraw/zinc/01/24/74/171012474.db2.gz MEQKGZSMSPYRPD-UHFFFAOYSA-N 1 1 256.752 2.665 50 0 CFAAMO CCOc1cccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167153 171040498 /nfs/dbraw/zinc/04/04/98/171040498.db2.gz VTFLDLXTNUOBCF-ZIAGYGMSSA-N 1 1 279.380 2.573 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000020941325 171281519 /nfs/dbraw/zinc/28/15/19/171281519.db2.gz ZTXMAFUMHATAEG-AWEZNQCLSA-N 1 1 274.389 2.767 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000020941325 171281521 /nfs/dbraw/zinc/28/15/21/171281521.db2.gz ZTXMAFUMHATAEG-AWEZNQCLSA-N 1 1 274.389 2.767 50 0 CFAAMO CCCOc1cccc(C[NH2+]CCCN(C)C)c1 ZINC000020967350 171282466 /nfs/dbraw/zinc/28/24/66/171282466.db2.gz KQEGUNOKDCFQLR-UHFFFAOYSA-N 1 1 250.386 2.517 50 0 CFAAMO COc1ccc(C[C@@H]2C[N@@H+](CCCSC)CCO2)cc1 ZINC000020999837 171284342 /nfs/dbraw/zinc/28/43/42/171284342.db2.gz PKNPOSBQJSLZKY-MRXNPFEDSA-N 1 1 295.448 2.692 50 0 CFAAMO CC(C)c1cccc(OCCCN2CC[NH+](C)CC2)c1 ZINC000022037108 171350160 /nfs/dbraw/zinc/35/01/60/171350160.db2.gz PTXUESWUCCHBST-UHFFFAOYSA-N 1 1 276.424 2.826 50 0 CFAAMO CCN1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000022466095 171388704 /nfs/dbraw/zinc/38/87/04/171388704.db2.gz UNUWBECYDXLQQP-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)n(C)n1 ZINC000022549326 171390438 /nfs/dbraw/zinc/39/04/38/171390438.db2.gz NFKIZTNEUZZSNZ-OAHLLOKOSA-N 1 1 298.390 2.504 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)n(C)n1 ZINC000022549326 171390440 /nfs/dbraw/zinc/39/04/40/171390440.db2.gz NFKIZTNEUZZSNZ-OAHLLOKOSA-N 1 1 298.390 2.504 50 0 CFAAMO Cc1ccc2[nH+]c(Cn3c4ccccc4oc3=O)cn2c1 ZINC000028988698 171582881 /nfs/dbraw/zinc/58/28/81/171582881.db2.gz RUVUEVOGDMDAMJ-UHFFFAOYSA-N 1 1 279.299 2.599 50 0 CFAAMO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000035051054 171952320 /nfs/dbraw/zinc/95/23/20/171952320.db2.gz TYQYRKDGHAPZRF-MRXNPFEDSA-N 1 1 294.354 2.781 50 0 CFAAMO CC[C@@H](C)[C@@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000035532464 172243810 /nfs/dbraw/zinc/24/38/10/172243810.db2.gz LKHLAPPWDALYPP-BXKDBHETSA-N 1 1 261.325 2.791 50 0 CFAAMO CC(C)Oc1ccc(CNCC[NH+]2CCCC2)cc1 ZINC000037228636 173049046 /nfs/dbraw/zinc/04/90/46/173049046.db2.gz BIMFGEUQFLABQT-UHFFFAOYSA-N 1 1 262.397 2.659 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 ZINC000039978495 174181160 /nfs/dbraw/zinc/18/11/60/174181160.db2.gz QEYXVFNNNPSLJM-QGZVFWFLSA-N 1 1 298.430 2.996 50 0 CFAAMO NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000039987521 174181761 /nfs/dbraw/zinc/18/17/61/174181761.db2.gz RHBYZSVXOUHGNK-MRXNPFEDSA-N 1 1 268.360 2.680 50 0 CFAAMO CCC[N@H+]1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000040119936 174193120 /nfs/dbraw/zinc/19/31/20/174193120.db2.gz NOSGZALWANJAGP-UHFFFAOYSA-N 1 1 262.397 2.613 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccsc1 ZINC000040465783 174275117 /nfs/dbraw/zinc/27/51/17/174275117.db2.gz AETXOHWYLCBCSU-LBPRGKRZSA-N 1 1 266.410 2.581 50 0 CFAAMO CC[N@@H+]1CCc2nc(NC(=O)C[C@H]3C=CCC3)sc2C1 ZINC000040472930 174281255 /nfs/dbraw/zinc/28/12/55/174281255.db2.gz DZOXFQWTMMHZDM-NSHDSACASA-N 1 1 291.420 2.816 50 0 CFAAMO CC[N@H+]1CCc2nc(NC(=O)C[C@H]3C=CCC3)sc2C1 ZINC000040472930 174281257 /nfs/dbraw/zinc/28/12/57/174281257.db2.gz DZOXFQWTMMHZDM-NSHDSACASA-N 1 1 291.420 2.816 50 0 CFAAMO COc1ccc(OC)c2c1C[N@H+](CC=C(C)C)C[C@@H]2O ZINC000040474038 174282063 /nfs/dbraw/zinc/28/20/63/174282063.db2.gz HGSGGFYXGYJIII-ZDUSSCGKSA-N 1 1 277.364 2.519 50 0 CFAAMO COc1ccc(OC)c2c1C[N@@H+](CC=C(C)C)C[C@@H]2O ZINC000040474038 174282064 /nfs/dbraw/zinc/28/20/64/174282064.db2.gz HGSGGFYXGYJIII-ZDUSSCGKSA-N 1 1 277.364 2.519 50 0 CFAAMO COc1ccc(OC)c2c1C[N@H+](CC=C(C)C)C[C@H]2O ZINC000040474037 174282451 /nfs/dbraw/zinc/28/24/51/174282451.db2.gz HGSGGFYXGYJIII-CYBMUJFWSA-N 1 1 277.364 2.519 50 0 CFAAMO COc1ccc(OC)c2c1C[N@@H+](CC=C(C)C)C[C@H]2O ZINC000040474037 174282452 /nfs/dbraw/zinc/28/24/52/174282452.db2.gz HGSGGFYXGYJIII-CYBMUJFWSA-N 1 1 277.364 2.519 50 0 CFAAMO CCCOc1cccc(NC(=O)N2CC[NH+](CC)CC2)c1 ZINC000040527018 174314449 /nfs/dbraw/zinc/31/44/49/174314449.db2.gz KVSNOVLIVIOUPY-UHFFFAOYSA-N 1 1 291.395 2.645 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CC=CCC2)cn1 ZINC000040539039 174321825 /nfs/dbraw/zinc/32/18/25/174321825.db2.gz BHAWKPLXALXTOW-CYBMUJFWSA-N 1 1 282.347 2.871 50 0 CFAAMO C[NH2+]C[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000040601294 174351399 /nfs/dbraw/zinc/35/13/99/174351399.db2.gz PORYXGKEHZSMDO-AWEZNQCLSA-N 1 1 269.392 2.666 50 0 CFAAMO C[N@@H+](CCn1c(=O)oc2ccccc21)Cc1ccsc1 ZINC000046582663 175398038 /nfs/dbraw/zinc/39/80/38/175398038.db2.gz GDAVZMOTONIQOK-UHFFFAOYSA-N 1 1 288.372 2.788 50 0 CFAAMO Cc1[nH]c2c(cccc2C[N@@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)c1C ZINC000067934849 175803122 /nfs/dbraw/zinc/80/31/22/175803122.db2.gz SNDWQWDWNZNKMO-CABCVRRESA-N 1 1 297.402 2.638 50 0 CFAAMO CC(C)[N@@H+]1CC[C@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000071820823 176270780 /nfs/dbraw/zinc/27/07/80/176270780.db2.gz FTQLWOLODNIXHL-OAHLLOKOSA-N 1 1 298.434 2.897 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000071820823 176270781 /nfs/dbraw/zinc/27/07/81/176270781.db2.gz FTQLWOLODNIXHL-OAHLLOKOSA-N 1 1 298.434 2.897 50 0 CFAAMO O=C(C[N@@H+](CCCO)C1CC1)Nc1cccc2ccccc21 ZINC000071912009 176298082 /nfs/dbraw/zinc/29/80/82/176298082.db2.gz LJFNBYQZQFGWLD-UHFFFAOYSA-N 1 1 298.386 2.625 50 0 CFAAMO O=C(C[N@H+](CCCO)C1CC1)Nc1cccc2ccccc21 ZINC000071912009 176298083 /nfs/dbraw/zinc/29/80/83/176298083.db2.gz LJFNBYQZQFGWLD-UHFFFAOYSA-N 1 1 298.386 2.625 50 0 CFAAMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000071915684 176299456 /nfs/dbraw/zinc/29/94/56/176299456.db2.gz QMGQKLUDQDASHZ-JKSUJKDBSA-N 1 1 281.371 2.750 50 0 CFAAMO c1ncn2c1C[N@H+](Cc1cc3ccccc3[nH]1)CCC2 ZINC000072128247 176321358 /nfs/dbraw/zinc/32/13/58/176321358.db2.gz PSVDHDAJAJARHI-UHFFFAOYSA-N 1 1 266.348 2.770 50 0 CFAAMO c1ncn2c1C[N@@H+](Cc1cc3ccccc3[nH]1)CCC2 ZINC000072128247 176321359 /nfs/dbraw/zinc/32/13/59/176321359.db2.gz PSVDHDAJAJARHI-UHFFFAOYSA-N 1 1 266.348 2.770 50 0 CFAAMO c1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000072154637 176328922 /nfs/dbraw/zinc/32/89/22/176328922.db2.gz MWBDLLAONPZZRE-QGZVFWFLSA-N 1 1 283.375 2.658 50 0 CFAAMO C[NH+](C)Cc1cc(NC(=O)c2ccc3ccccc3c2)n[nH]1 ZINC000072258613 176351054 /nfs/dbraw/zinc/35/10/54/176351054.db2.gz HNMFOYQPNRSFEK-UHFFFAOYSA-N 1 1 294.358 2.877 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270614 176354401 /nfs/dbraw/zinc/35/44/01/176354401.db2.gz GEOABTIRDKJGJY-LBPRGKRZSA-N 1 1 289.354 2.937 50 0 CFAAMO c1csc(CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000072278797 176357123 /nfs/dbraw/zinc/35/71/23/176357123.db2.gz DDHQXMFNMOZRGG-GFCCVEGCSA-N 1 1 261.394 2.893 50 0 CFAAMO c1csc(CC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000072278797 176357124 /nfs/dbraw/zinc/35/71/24/176357124.db2.gz DDHQXMFNMOZRGG-GFCCVEGCSA-N 1 1 261.394 2.893 50 0 CFAAMO c1csc(CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000072278797 176357125 /nfs/dbraw/zinc/35/71/25/176357125.db2.gz DDHQXMFNMOZRGG-GFCCVEGCSA-N 1 1 261.394 2.893 50 0 CFAAMO CC(C)c1ccc(CC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000077538809 177279222 /nfs/dbraw/zinc/27/92/22/177279222.db2.gz BAKFHTXTAMPJPK-DLBZAZTESA-N 1 1 286.419 2.515 50 0 CFAAMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000078876605 177399480 /nfs/dbraw/zinc/39/94/80/177399480.db2.gz NIEGGARWBGFQNQ-AWEZNQCLSA-N 1 1 287.359 2.799 50 0 CFAAMO C[C@@H]1C[N@H+](CCCCOc2ccccc2C=O)C[C@H](C)O1 ZINC000016488864 260099216 /nfs/dbraw/zinc/09/92/16/260099216.db2.gz GSNQACBCCPLQSX-GASCZTMLSA-N 1 1 291.391 2.767 50 0 CFAAMO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000007447137 261076064 /nfs/dbraw/zinc/07/60/64/261076064.db2.gz WZSNVMQEIJJYFR-ZDUSSCGKSA-N 1 1 288.391 2.948 50 0 CFAAMO O=C(NCC1CC[NH+](Cc2ccc(Cl)o2)CC1)C1CC1 ZINC000827698503 782040609 /nfs/dbraw/zinc/04/06/09/782040609.db2.gz QJKOOUWNKZXHLU-UHFFFAOYSA-N 1 1 296.798 2.671 50 0 CFAAMO OCC[N@@H+](C[C@@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000246299439 275046462 /nfs/dbraw/zinc/04/64/62/275046462.db2.gz BWDKFUHKEYTHNR-RBUKOAKNSA-N 1 1 297.398 2.702 50 0 CFAAMO CC(C)c1ccc(/C=C\C(=O)N2CC[NH+](C)CC2)cc1 ZINC000096609465 275731868 /nfs/dbraw/zinc/73/18/68/275731868.db2.gz XLJRRPSIEOLGNH-TWGQIWQCSA-N 1 1 272.392 2.597 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071750755 275765225 /nfs/dbraw/zinc/76/52/25/275765225.db2.gz LOBFTDTUTHSAIP-KFWWJZLASA-N 1 1 287.407 2.992 50 0 CFAAMO C[C@@]1(c2ccccc2)CCCN(c2cc(N)[nH+]cn2)C1 ZINC000095529395 279175754 /nfs/dbraw/zinc/17/57/54/279175754.db2.gz CNFSEILQKGKEBD-MRXNPFEDSA-N 1 1 268.364 2.617 50 0 CFAAMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)CCOC(C)C ZINC000221933946 281041644 /nfs/dbraw/zinc/04/16/44/281041644.db2.gz VZECPGIGXOOZLN-GJZGRUSLSA-N 1 1 257.418 2.817 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1CC1 ZINC000000052225 281099064 /nfs/dbraw/zinc/09/90/64/281099064.db2.gz KJALNEGZZLQEGT-HOCLYGCPSA-N 1 1 270.376 2.539 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1CC1 ZINC000004143374 281127183 /nfs/dbraw/zinc/12/71/83/281127183.db2.gz KJALNEGZZLQEGT-ZBFHGGJFSA-N 1 1 270.376 2.539 50 0 CFAAMO Cc1cnc(NC(=O)c2cc(-n3cc[nH+]c3C)ccn2)s1 ZINC000069442934 281623528 /nfs/dbraw/zinc/62/35/28/281623528.db2.gz SWMQWDMOBZOXSD-UHFFFAOYSA-N 1 1 299.359 2.593 50 0 CFAAMO Cc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)[nH+]c2ccccc12 ZINC000828248299 782083689 /nfs/dbraw/zinc/08/36/89/782083689.db2.gz XZZWRGSXIXIEDW-ZDUSSCGKSA-N 1 1 295.386 2.966 50 0 CFAAMO Cc1cccn2c(C[N@H+]3CCC[C@@H]3Cn3ccnc3)cnc12 ZINC000188411093 324015016 /nfs/dbraw/zinc/01/50/16/324015016.db2.gz NJDBWIIRYVYXOI-OAHLLOKOSA-N 1 1 295.390 2.504 50 0 CFAAMO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000189517298 324029447 /nfs/dbraw/zinc/02/94/47/324029447.db2.gz GZAWCMODQVIWTL-QWRGUYRKSA-N 1 1 255.387 2.532 50 0 CFAAMO CCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000013329270 326839714 /nfs/dbraw/zinc/83/97/14/326839714.db2.gz PZOSFBPQOOLDGB-UHFFFAOYSA-N 1 1 284.762 2.647 50 0 CFAAMO CC(C)(C)[C@H]1CCC[N@@H+](CCCS(C)(=O)=O)CC1 ZINC000071909413 327106361 /nfs/dbraw/zinc/10/63/61/327106361.db2.gz HNZZWHREUHORIQ-ZDUSSCGKSA-N 1 1 275.458 2.569 50 0 CFAAMO O=C(Cc1ccc(Cl)s1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337810816 330351572 /nfs/dbraw/zinc/35/15/72/330351572.db2.gz LQKZWNRIXLNBQN-QWRGUYRKSA-N 1 1 298.839 2.687 50 0 CFAAMO Cc1cc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)no1 ZINC000061801225 524696692 /nfs/dbraw/zinc/69/66/92/524696692.db2.gz KZOPXKYXLKLIHM-UHFFFAOYSA-N 1 1 285.391 2.609 50 0 CFAAMO Cc1ccc([C@H](C)CC[N@@H+](C)CCc2cnn(C)c2)o1 ZINC000214997885 525876417 /nfs/dbraw/zinc/87/64/17/525876417.db2.gz LMDAUJAYSVGLSL-CYBMUJFWSA-N 1 1 275.396 2.990 50 0 CFAAMO C(Nc1nc(NCC2CC2)c2c([nH+]1)CCS2)C1CC1 ZINC000225816744 527492615 /nfs/dbraw/zinc/49/26/15/527492615.db2.gz JPVGKBWIFKKZMO-UHFFFAOYSA-N 1 1 276.409 2.769 50 0 CFAAMO C[N@H+](Cc1cccc(F)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248144881 536476861 /nfs/dbraw/zinc/47/68/61/536476861.db2.gz VLILDLFRWPNGNZ-LSDHHAIUSA-N 1 1 299.411 2.613 50 0 CFAAMO C[N@@H+](Cc1cccc(F)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248144881 536476863 /nfs/dbraw/zinc/47/68/63/536476863.db2.gz VLILDLFRWPNGNZ-LSDHHAIUSA-N 1 1 299.411 2.613 50 0 CFAAMO CCCCc1nc(CN(C)C[C@@]2(C)CC[N@@H+](C)C2)c[nH]1 ZINC000952981723 614491162 /nfs/dbraw/zinc/49/11/62/614491162.db2.gz JXPNRIBMVTYTAA-INIZCTEOSA-N 1 1 278.444 2.526 50 0 CFAAMO CCCCc1ncc(CN(C)C[C@@]2(C)CC[N@H+](C)C2)[nH]1 ZINC000952981723 614491164 /nfs/dbraw/zinc/49/11/64/614491164.db2.gz JXPNRIBMVTYTAA-INIZCTEOSA-N 1 1 278.444 2.526 50 0 CFAAMO CCCCc1ncc(CN(C)C[C@@]2(C)CC[N@@H+](C)C2)[nH]1 ZINC000952981723 614491165 /nfs/dbraw/zinc/49/11/65/614491165.db2.gz JXPNRIBMVTYTAA-INIZCTEOSA-N 1 1 278.444 2.526 50 0 CFAAMO CCc1[nH+]ccn1CCCNc1nc(-c2ccccc2)no1 ZINC000952966604 615777137 /nfs/dbraw/zinc/77/71/37/615777137.db2.gz IIZNZKSXLKGQIJ-UHFFFAOYSA-N 1 1 297.362 2.998 50 0 CFAAMO CCn1ccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)n1 ZINC000952971908 616031561 /nfs/dbraw/zinc/03/15/61/616031561.db2.gz LTWULSYSUWCRHC-AWEZNQCLSA-N 1 1 295.390 2.940 50 0 CFAAMO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+]C1COC1 ZINC000287750432 617754757 /nfs/dbraw/zinc/75/47/57/617754757.db2.gz QFROIVKTRMMOML-AWEZNQCLSA-N 1 1 259.349 2.811 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CNc1nnc(-c2ccccc2)s1 ZINC000090083117 617821652 /nfs/dbraw/zinc/82/16/52/617821652.db2.gz DUDOHUKPQSSQON-GFCCVEGCSA-N 1 1 274.393 2.711 50 0 CFAAMO Cc1cccc(OCCCCCN2CC[NH+](C)CC2)c1 ZINC000022184767 618015242 /nfs/dbraw/zinc/01/52/42/618015242.db2.gz JMUSOOKUEOBARZ-UHFFFAOYSA-N 1 1 276.424 2.792 50 0 CFAAMO COc1cc2c(cc1OC)[C@H](c1cccnc1)[N@H+](C)CC2 ZINC000023279646 618354979 /nfs/dbraw/zinc/35/49/79/618354979.db2.gz BWLYXGXVTMEQIQ-KRWDZBQOSA-N 1 1 284.359 2.676 50 0 CFAAMO COc1cc2c(cc1OC)[C@H](c1cccnc1)[N@@H+](C)CC2 ZINC000023279646 618354981 /nfs/dbraw/zinc/35/49/81/618354981.db2.gz BWLYXGXVTMEQIQ-KRWDZBQOSA-N 1 1 284.359 2.676 50 0 CFAAMO c1csc(Cc2[nH]nc3c2C[N@H+](C2CCC2)CC3)c1 ZINC000020514487 618805508 /nfs/dbraw/zinc/80/55/08/618805508.db2.gz QAYHZVZSIQDUAP-UHFFFAOYSA-N 1 1 273.405 2.973 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)CCC2 ZINC000046858472 623103692 /nfs/dbraw/zinc/10/36/92/623103692.db2.gz SVVKMTRMZXJJPS-GFCCVEGCSA-N 1 1 292.448 2.841 50 0 CFAAMO CC(=O)N1CCC(CNc2cc[nH+]c3ccsc32)CC1 ZINC000174729894 623554752 /nfs/dbraw/zinc/55/47/52/623554752.db2.gz MDFISWYQRNDUKK-UHFFFAOYSA-N 1 1 289.404 2.967 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1ccnc2ccccc12 ZINC000000212829 623602420 /nfs/dbraw/zinc/60/24/20/623602420.db2.gz YZRUHBAGSMUSCT-AWEZNQCLSA-N 1 1 256.349 2.582 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)c3ccoc3)C2)n1C1CC1 ZINC000257177928 626012627 /nfs/dbraw/zinc/01/26/27/626012627.db2.gz FPRJAMUQQPZMIV-CYBMUJFWSA-N 1 1 299.374 2.824 50 0 CFAAMO CC(C)c1ccc(N[C@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000012434728 626255397 /nfs/dbraw/zinc/25/53/97/626255397.db2.gz QMSSBUBKLVTCNJ-INIZCTEOSA-N 1 1 262.397 2.679 50 0 CFAAMO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H](C3CC3)C2)o1 ZINC000808777942 631045730 /nfs/dbraw/zinc/04/57/30/631045730.db2.gz HZVMNTOVFQHFEC-LBPRGKRZSA-N 1 1 263.385 2.989 50 0 CFAAMO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H](C3CC3)C2)o1 ZINC000808777942 631045734 /nfs/dbraw/zinc/04/57/34/631045734.db2.gz HZVMNTOVFQHFEC-LBPRGKRZSA-N 1 1 263.385 2.989 50 0 CFAAMO C(=C/c1cccnc1)\c1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000096001529 650981767 /nfs/dbraw/zinc/98/17/67/650981767.db2.gz MRWWCCVPDKBIQQ-SBDDDAINSA-N 1 1 270.336 2.840 50 0 CFAAMO C[C@@H](O)C[NH+](Cc1c(Cl)cccc1Cl)C[C@@H](C)O ZINC000000217034 651101127 /nfs/dbraw/zinc/10/11/27/651101127.db2.gz BBIWYAAXGZOYKA-NXEZZACHSA-N 1 1 292.206 2.557 50 0 CFAAMO CCCN1CC[N@@H+](Cc2sccc2C)CCC1=O ZINC000014989784 651184876 /nfs/dbraw/zinc/18/48/76/651184876.db2.gz KSWSWGJMMSEIPL-UHFFFAOYSA-N 1 1 266.410 2.501 50 0 CFAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000194658330 775201733 /nfs/dbraw/zinc/20/17/33/775201733.db2.gz LWMREIMCXIFTJE-CQSZACIVSA-N 1 1 299.374 2.556 50 0 CFAAMO C=CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709619556 781316053 /nfs/dbraw/zinc/31/60/53/781316053.db2.gz QPOFVZRQWYSCLL-MRXNPFEDSA-N 1 1 272.392 2.733 50 0 CFAAMO CC/C=C\CCC[N@H+]1CCC[C@@](C)(C(=O)NC)C1 ZINC000822293545 781897543 /nfs/dbraw/zinc/89/75/43/781897543.db2.gz ZINHGYAQGHEFPG-IYKSTZQJSA-N 1 1 252.402 2.581 50 0 CFAAMO CCS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000096445762 230374416 /nfs/dbraw/zinc/37/44/16/230374416.db2.gz CQWJGGKLELRFRO-SWLSCSKDSA-N 1 1 299.411 2.643 50 0 CFAAMO CCS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000096445762 230374417 /nfs/dbraw/zinc/37/44/17/230374417.db2.gz CQWJGGKLELRFRO-SWLSCSKDSA-N 1 1 299.411 2.643 50 0 CFAAMO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccnn1C ZINC000096476601 230379776 /nfs/dbraw/zinc/37/97/76/230379776.db2.gz XXCNIOHHYTTZGR-JTQLQIEISA-N 1 1 279.771 2.933 50 0 CFAAMO Cc1cccc([C@H](C)[NH2+]Cc2nnnn2C(C)C)c1C ZINC000096491890 230382518 /nfs/dbraw/zinc/38/25/18/230382518.db2.gz SCZFFJDQWDSTPK-ZDUSSCGKSA-N 1 1 273.384 2.722 50 0 CFAAMO CCc1cccc(NC(=O)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000095508088 185000734 /nfs/dbraw/zinc/00/07/34/185000734.db2.gz XSKQROYGAOBZRF-OAHLLOKOSA-N 1 1 275.396 2.855 50 0 CFAAMO O[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000195547909 230396383 /nfs/dbraw/zinc/39/63/83/230396383.db2.gz GSDDFNADRZZZPT-VIFPVBQESA-N 1 1 277.698 2.508 50 0 CFAAMO O[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000195547909 230396384 /nfs/dbraw/zinc/39/63/84/230396384.db2.gz GSDDFNADRZZZPT-VIFPVBQESA-N 1 1 277.698 2.508 50 0 CFAAMO c1ccc(-c2nc3c([nH]2)C[N@H+]([C@@H]2CCCOC2)CC3)cc1 ZINC000095528762 185005126 /nfs/dbraw/zinc/00/51/26/185005126.db2.gz PFERUNVKDRVATL-CQSZACIVSA-N 1 1 283.375 2.614 50 0 CFAAMO c1ccc(-c2nc3c([nH]2)C[N@@H+]([C@@H]2CCCOC2)CC3)cc1 ZINC000095528762 185005129 /nfs/dbraw/zinc/00/51/29/185005129.db2.gz PFERUNVKDRVATL-CQSZACIVSA-N 1 1 283.375 2.614 50 0 CFAAMO Brc1cncc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000095961955 185044764 /nfs/dbraw/zinc/04/47/64/185044764.db2.gz JZYRIWOZBWKTRC-DGCLKSJQSA-N 1 1 296.212 2.883 50 0 CFAAMO CCN(C)c1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974242 185049998 /nfs/dbraw/zinc/04/99/98/185049998.db2.gz AZAGKHNKHOSHAZ-DLBZAZTESA-N 1 1 287.451 2.859 50 0 CFAAMO CCN(C)c1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974242 185049999 /nfs/dbraw/zinc/04/99/99/185049999.db2.gz AZAGKHNKHOSHAZ-DLBZAZTESA-N 1 1 287.451 2.859 50 0 CFAAMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cnc2cnccn12 ZINC000095982492 185053900 /nfs/dbraw/zinc/05/39/00/185053900.db2.gz HQZVNDVHHCYOLV-ZDUSSCGKSA-N 1 1 296.374 2.931 50 0 CFAAMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cnc2cnccn12 ZINC000095982492 185053901 /nfs/dbraw/zinc/05/39/01/185053901.db2.gz HQZVNDVHHCYOLV-ZDUSSCGKSA-N 1 1 296.374 2.931 50 0 CFAAMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000095984113 185055017 /nfs/dbraw/zinc/05/50/17/185055017.db2.gz MVDWMQDUVRPLGU-CYBMUJFWSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000095984113 185055018 /nfs/dbraw/zinc/05/50/18/185055018.db2.gz MVDWMQDUVRPLGU-CYBMUJFWSA-N 1 1 295.390 2.974 50 0 CFAAMO C[C@H]([C@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1)n1cccn1 ZINC000070018063 346905459 /nfs/dbraw/zinc/90/54/59/346905459.db2.gz AGVOGZCMXOBQBF-QWHCGFSZSA-N 1 1 297.362 2.672 50 0 CFAAMO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000131703725 282268304 /nfs/dbraw/zinc/26/83/04/282268304.db2.gz HRRVYCITJHZTNM-ZDUSSCGKSA-N 1 1 291.782 2.995 50 0 CFAAMO CN1CC[NH+](Cc2cccc(NCc3ccoc3)c2)CC1 ZINC000096446412 529774706 /nfs/dbraw/zinc/77/47/06/529774706.db2.gz RNIGCVYBPAEQER-UHFFFAOYSA-N 1 1 285.391 2.639 50 0 CFAAMO Cc1cccc(C)c1-n1nnnc1[C@@H](C(C)C)[NH+](C)C ZINC000075283742 347064112 /nfs/dbraw/zinc/06/41/12/347064112.db2.gz UPOXKAYNLJGUEA-CYBMUJFWSA-N 1 1 273.384 2.538 50 0 CFAAMO Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000069665326 539511525 /nfs/dbraw/zinc/51/15/25/539511525.db2.gz ZUAHEXVYJBMJTO-WNRNVDISSA-N 1 1 298.430 2.842 50 0 CFAAMO CN(C)CC[N@@H+]1C[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1 ZINC000000759307 346205764 /nfs/dbraw/zinc/20/57/64/346205764.db2.gz XRNHNPCQILWJPN-HIFRSBDPSA-N 1 1 283.419 2.691 50 0 CFAAMO CN(C)CC[N@H+]1C[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1 ZINC000000759307 346205767 /nfs/dbraw/zinc/20/57/67/346205767.db2.gz XRNHNPCQILWJPN-HIFRSBDPSA-N 1 1 283.419 2.691 50 0 CFAAMO c1ccc(CCCN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000032517871 346305408 /nfs/dbraw/zinc/30/54/08/346305408.db2.gz WVFUKDMILYTKSV-KRWDZBQOSA-N 1 1 258.409 2.789 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000036403767 346322864 /nfs/dbraw/zinc/32/28/64/346322864.db2.gz YLLDNFBWFYNMME-PBHICJAKSA-N 1 1 286.419 2.912 50 0 CFAAMO C[C@@H](CN(C)c1cc[nH+]c(N(C)C)n1)c1ccccc1 ZINC000077216306 347176437 /nfs/dbraw/zinc/17/64/37/347176437.db2.gz AAXDRHZRVSMEOE-ZDUSSCGKSA-N 1 1 270.380 2.783 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](CC)[C@@H]1C ZINC000095882809 347699176 /nfs/dbraw/zinc/69/91/76/347699176.db2.gz KGSIZJJFTPHZGH-CZUORRHYSA-N 1 1 261.365 2.949 50 0 CFAAMO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000097373004 347708330 /nfs/dbraw/zinc/70/83/30/347708330.db2.gz FRRPKHYAGQYJEL-GXTWGEPZSA-N 1 1 262.401 2.810 50 0 CFAAMO Cc1ncsc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000093388113 347672260 /nfs/dbraw/zinc/67/22/60/347672260.db2.gz ZREHGXJZBPQZBH-HNNXBMFYSA-N 1 1 288.416 2.933 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2SC)cc1 ZINC000110642591 347749071 /nfs/dbraw/zinc/74/90/71/347749071.db2.gz IZCUKMUINVPBRC-HUUCEWRRSA-N 1 1 292.448 2.762 50 0 CFAAMO Cc1nc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)oc1C ZINC000110695207 347749385 /nfs/dbraw/zinc/74/93/85/347749385.db2.gz MQFDGXMSVBZUTD-KBPBESRZSA-N 1 1 296.436 2.778 50 0 CFAAMO Cc1nc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)oc1C ZINC000110695207 347749389 /nfs/dbraw/zinc/74/93/89/347749389.db2.gz MQFDGXMSVBZUTD-KBPBESRZSA-N 1 1 296.436 2.778 50 0 CFAAMO CCC[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000128163040 347847888 /nfs/dbraw/zinc/84/78/88/347847888.db2.gz PJGXYQPTCOZFMR-CQSZACIVSA-N 1 1 259.353 2.564 50 0 CFAAMO CCC[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000128163040 347847892 /nfs/dbraw/zinc/84/78/92/347847892.db2.gz PJGXYQPTCOZFMR-CQSZACIVSA-N 1 1 259.353 2.564 50 0 CFAAMO COc1cc(CC[NH2+]C2CCN(C(C)C)CC2)ccc1F ZINC000170073616 348053425 /nfs/dbraw/zinc/05/34/25/348053425.db2.gz QKYMKMPQJBTZKF-UHFFFAOYSA-N 1 1 294.414 2.839 50 0 CFAAMO CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000170604353 348055730 /nfs/dbraw/zinc/05/57/30/348055730.db2.gz IXDURIQYAZEGOS-GBRKPNRJSA-N 1 1 269.454 2.822 50 0 CFAAMO C[N@@H+](CCO[C@@H]1CCCCO1)[C@H]1CCCc2cccnc21 ZINC000225532937 348178818 /nfs/dbraw/zinc/17/88/18/348178818.db2.gz FOBPHXPSBSXFRX-JKSUJKDBSA-N 1 1 290.407 2.934 50 0 CFAAMO CC(C)c1[nH+]ccn1CCS(=O)(=O)Cc1ccccc1 ZINC000390834502 348543650 /nfs/dbraw/zinc/54/36/50/348543650.db2.gz ZVVVLWZDEIGWKI-UHFFFAOYSA-N 1 1 292.404 2.622 50 0 CFAAMO c1ccc(OC2C[NH+](C3CSCCSC3)C2)cc1 ZINC000584889737 348728144 /nfs/dbraw/zinc/72/81/44/348728144.db2.gz NDVIISQDHZJCFQ-UHFFFAOYSA-N 1 1 281.446 2.598 50 0 CFAAMO Nc1cc(NCC2(c3cccc(F)c3)CCCC2)nc[nH+]1 ZINC000584889568 348728213 /nfs/dbraw/zinc/72/82/13/348728213.db2.gz SXRWOFSDUYBPQD-UHFFFAOYSA-N 1 1 286.354 2.544 50 0 CFAAMO Nc1cc(NCC2(c3cccc(F)c3)CCCC2)[nH+]cn1 ZINC000584889568 348728217 /nfs/dbraw/zinc/72/82/17/348728217.db2.gz SXRWOFSDUYBPQD-UHFFFAOYSA-N 1 1 286.354 2.544 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1Cl ZINC000584890827 348729078 /nfs/dbraw/zinc/72/90/78/348729078.db2.gz HDMFBGQPLZGOKX-SECBINFHSA-N 1 1 272.801 2.616 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1Cc2ccccc2C1 ZINC000584892494 348729342 /nfs/dbraw/zinc/72/93/42/348729342.db2.gz HINUXVZKGJCJFS-QLPKVWCKSA-N 1 1 257.377 2.796 50 0 CFAAMO CN(C)C(=O)CCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000091453185 180159540 /nfs/dbraw/zinc/15/95/40/180159540.db2.gz PVKGXEHPSIUWKP-UHFFFAOYSA-N 1 1 277.755 2.778 50 0 CFAAMO C[C@H](CNc1cc[nH+]cc1Cl)Cn1cccn1 ZINC000091452918 180159599 /nfs/dbraw/zinc/15/95/99/180159599.db2.gz HMHGNPCTXGBWCT-SNVBAGLBSA-N 1 1 250.733 2.680 50 0 CFAAMO Cc1nc(N)cc(N(C)Cc2cnc3ccccc3c2)[nH+]1 ZINC000091459879 180161890 /nfs/dbraw/zinc/16/18/90/180161890.db2.gz KWDOAKLSFOBDRO-UHFFFAOYSA-N 1 1 279.347 2.552 50 0 CFAAMO CCc1[nH+]ccn1CCCNc1nccc(C(F)(F)F)n1 ZINC000091486781 180167805 /nfs/dbraw/zinc/16/78/05/180167805.db2.gz MSSYJWDIRAJCMV-UHFFFAOYSA-N 1 1 299.300 2.757 50 0 CFAAMO CNc1cc(C)[nH+]c(C[C@@H]2COc3cc(OC)ccc3C2)n1 ZINC000091586011 180199659 /nfs/dbraw/zinc/19/96/59/180199659.db2.gz GLPXHAYUMJYHML-GFCCVEGCSA-N 1 1 299.374 2.629 50 0 CFAAMO CCC[C@]1(CO)CCC[N@H+](Cc2nccs2)C1 ZINC000091604009 180203438 /nfs/dbraw/zinc/20/34/38/180203438.db2.gz QGXYSNVHDLMWRI-ZDUSSCGKSA-N 1 1 254.399 2.518 50 0 CFAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2nccs2)C1 ZINC000091604009 180203441 /nfs/dbraw/zinc/20/34/41/180203441.db2.gz QGXYSNVHDLMWRI-ZDUSSCGKSA-N 1 1 254.399 2.518 50 0 CFAAMO Cc1cccnc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631199 180209999 /nfs/dbraw/zinc/20/99/99/180209999.db2.gz IUJKOQGSXTWORL-AWEZNQCLSA-N 1 1 297.406 2.696 50 0 CFAAMO CC[C@]1(CO)CCC[N@@H+](CCOc2ccccc2)C1 ZINC000091780659 180252339 /nfs/dbraw/zinc/25/23/39/180252339.db2.gz IZLXUCZUYVIOOE-INIZCTEOSA-N 1 1 263.381 2.550 50 0 CFAAMO Cc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)s1 ZINC000091747066 180245521 /nfs/dbraw/zinc/24/55/21/180245521.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 1 1 250.411 2.583 50 0 CFAAMO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C)C3)s1 ZINC000091747066 180245522 /nfs/dbraw/zinc/24/55/22/180245522.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 1 1 250.411 2.583 50 0 CFAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C)C3)s1 ZINC000091747066 180245524 /nfs/dbraw/zinc/24/55/24/180245524.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 1 1 250.411 2.583 50 0 CFAAMO CC(C)CC[N@H+]1CCN(Cc2cccs2)C[C@H]1CCO ZINC000105626933 186065628 /nfs/dbraw/zinc/06/56/28/186065628.db2.gz UOQHGTPHOYYCCE-OAHLLOKOSA-N 1 1 296.480 2.663 50 0 CFAAMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000091846087 180270312 /nfs/dbraw/zinc/27/03/12/180270312.db2.gz WMHPUFNAXXBSEO-MRXNPFEDSA-N 1 1 263.381 2.680 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3n2C)CC[C@]1(C)O ZINC000091950634 180291468 /nfs/dbraw/zinc/29/14/68/180291468.db2.gz CVAPIJMAJPZUSZ-DYVFJYSZSA-N 1 1 272.392 2.771 50 0 CFAAMO c1nc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c[nH]1 ZINC000092003390 180304142 /nfs/dbraw/zinc/30/41/42/180304142.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 1 1 296.418 2.506 50 0 CFAAMO c1ncc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000092003390 180304143 /nfs/dbraw/zinc/30/41/43/180304143.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 1 1 296.418 2.506 50 0 CFAAMO c1ncc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000092003390 180304145 /nfs/dbraw/zinc/30/41/45/180304145.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 1 1 296.418 2.506 50 0 CFAAMO COc1c(F)cc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)cc1F ZINC000092021042 180307410 /nfs/dbraw/zinc/30/74/10/180307410.db2.gz FASYXLZSFQJDHL-BMIGLBTASA-N 1 1 285.334 2.566 50 0 CFAAMO COc1c(F)cc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)cc1F ZINC000092021042 180307411 /nfs/dbraw/zinc/30/74/11/180307411.db2.gz FASYXLZSFQJDHL-BMIGLBTASA-N 1 1 285.334 2.566 50 0 CFAAMO C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)[C@@H](C)CO1 ZINC000105955018 186095097 /nfs/dbraw/zinc/09/50/97/186095097.db2.gz ZEXGNYPGIWZEGZ-STQMWFEESA-N 1 1 267.344 2.704 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccccc2)C1 ZINC000106576817 186126925 /nfs/dbraw/zinc/12/69/25/186126925.db2.gz SEBFOJGFKLCDEP-MQNTZWLQSA-N 1 1 286.419 2.936 50 0 CFAAMO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106669763 186131076 /nfs/dbraw/zinc/13/10/76/186131076.db2.gz MVQPFYDZQQBHMD-SMDDNHRTSA-N 1 1 290.363 2.978 50 0 CFAAMO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000092455633 180389055 /nfs/dbraw/zinc/38/90/55/180389055.db2.gz WAGWUEPUMUCDQJ-LBPRGKRZSA-N 1 1 299.798 2.704 50 0 CFAAMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000107493187 186176112 /nfs/dbraw/zinc/17/61/12/186176112.db2.gz PDSAWJSLCPKGPZ-NEPJUHHUSA-N 1 1 295.814 2.585 50 0 CFAAMO Cc1n[nH]cc1CN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000110578242 186303313 /nfs/dbraw/zinc/30/33/13/186303313.db2.gz UMFCHFGVXDEKTJ-PBHICJAKSA-N 1 1 284.407 2.643 50 0 CFAAMO Cc1n[nH]cc1CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000110578242 186303314 /nfs/dbraw/zinc/30/33/14/186303314.db2.gz UMFCHFGVXDEKTJ-PBHICJAKSA-N 1 1 284.407 2.643 50 0 CFAAMO Cn1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154890522 188168153 /nfs/dbraw/zinc/16/81/53/188168153.db2.gz QZKKBEAEFOSNCY-CQSZACIVSA-N 1 1 293.411 2.514 50 0 CFAAMO Cc1cccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000158422231 188375453 /nfs/dbraw/zinc/37/54/53/188375453.db2.gz HEMIFKUSPCQJAI-QGZVFWFLSA-N 1 1 297.402 2.569 50 0 CFAAMO CCN1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000685939690 540020682 /nfs/dbraw/zinc/02/06/82/540020682.db2.gz WFXWISMKVMFDQC-RDBSUJKOSA-N 1 1 268.445 2.795 50 0 CFAAMO CC[N@H+]1CC[C@@H](Nc2ccc3n[nH]cc3c2)[C@@H](C)C1 ZINC000685939762 540020825 /nfs/dbraw/zinc/02/08/25/540020825.db2.gz PDVOUWPOYAPCIJ-SMDDNHRTSA-N 1 1 258.369 2.705 50 0 CFAAMO Cc1c[nH]c(Nc2ncnc3c2cnn3-c2ccccc2)[nH+]1 ZINC000084257941 540197978 /nfs/dbraw/zinc/19/79/78/540197978.db2.gz WTBISEQGNXJMGW-UHFFFAOYSA-N 1 1 291.318 2.591 50 0 CFAAMO c1ccc(C[N@@H+]2CC[C@H](CN3CCSCC3)C2)cc1 ZINC000252494888 540234267 /nfs/dbraw/zinc/23/42/67/540234267.db2.gz OHLMIHIBZZTAPU-MRXNPFEDSA-N 1 1 276.449 2.557 50 0 CFAAMO c1ccc(CN2CC[C@H](C[NH+]3CCSCC3)C2)cc1 ZINC000252494888 540234272 /nfs/dbraw/zinc/23/42/72/540234272.db2.gz OHLMIHIBZZTAPU-MRXNPFEDSA-N 1 1 276.449 2.557 50 0 CFAAMO CCn1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000091009816 540384456 /nfs/dbraw/zinc/38/44/56/540384456.db2.gz UQWPTSKVFYULMU-UHFFFAOYSA-N 1 1 263.429 2.907 50 0 CFAAMO C[C@@H]([N@@H+](C)Cc1nc(-c2ccoc2)no1)C1(C)CC1 ZINC000177254118 189039331 /nfs/dbraw/zinc/03/93/31/189039331.db2.gz MDZKBBXYYJOHCG-SNVBAGLBSA-N 1 1 261.325 2.950 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](n3cnc4ccccc43)C2)CN1C ZINC000096009217 540726677 /nfs/dbraw/zinc/72/66/77/540726677.db2.gz NULNFUOUPJZLHE-PMPSAXMXSA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@H](N2CCC[C@H](n3cnc4ccccc43)C2)C[N@@H+]1C ZINC000096009217 540726680 /nfs/dbraw/zinc/72/66/80/540726680.db2.gz NULNFUOUPJZLHE-PMPSAXMXSA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@H](N2CCC[C@H](n3cnc4ccccc43)C2)C[N@H+]1C ZINC000096009217 540726682 /nfs/dbraw/zinc/72/66/82/540726682.db2.gz NULNFUOUPJZLHE-PMPSAXMXSA-N 1 1 298.434 2.766 50 0 CFAAMO COc1cccc(C2CC[NH+](Cc3c[nH]cn3)CC2)c1 ZINC000179800710 189221571 /nfs/dbraw/zinc/22/15/71/189221571.db2.gz TWYVNOAJKJVIEL-UHFFFAOYSA-N 1 1 271.364 2.798 50 0 CFAAMO COC(=O)CC[N@@H+](C)[C@H]1CCCC[C@H]1Oc1ccccc1 ZINC000261361541 540973735 /nfs/dbraw/zinc/97/37/35/540973735.db2.gz NSPIHLJDVJDQKM-JKSUJKDBSA-N 1 1 291.391 2.872 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CN(C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430018 540991430 /nfs/dbraw/zinc/99/14/30/540991430.db2.gz PBECJHBAGMLWNR-CQSZACIVSA-N 1 1 286.423 2.725 50 0 CFAAMO Cc1[nH+]cc(CN2CCOc3ccc(Cl)cc3C2)n1C ZINC000670436163 540993808 /nfs/dbraw/zinc/99/38/08/540993808.db2.gz LVMWKPQBBQLHSP-UHFFFAOYSA-N 1 1 291.782 2.777 50 0 CFAAMO c1cc(C2CC[NH+]([C@@H]3CCN(c4ccccc4)C3)CC2)[nH]n1 ZINC000670440494 540995839 /nfs/dbraw/zinc/99/58/39/540995839.db2.gz MSPPISQWLBJBCW-QGZVFWFLSA-N 1 1 296.418 2.868 50 0 CFAAMO CC[N@H+]1CCC[C@H](c2ncnn2C2Cc3ccccc3C2)C1 ZINC000670441747 540996422 /nfs/dbraw/zinc/99/64/22/540996422.db2.gz NOYUPGPTBOLNPO-INIZCTEOSA-N 1 1 296.418 2.817 50 0 CFAAMO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](O)CC2)c(OC)c1 ZINC000670445971 540997238 /nfs/dbraw/zinc/99/72/38/540997238.db2.gz QVNDJRFUODKEHN-NSHDSACASA-N 1 1 299.798 2.704 50 0 CFAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@H](O)CC2)c(OC)c1 ZINC000670445971 540997240 /nfs/dbraw/zinc/99/72/40/540997240.db2.gz QVNDJRFUODKEHN-NSHDSACASA-N 1 1 299.798 2.704 50 0 CFAAMO C[C@H](CCn1cccn1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000670456844 541001527 /nfs/dbraw/zinc/00/15/27/541001527.db2.gz ZRCBIHRFAMXUOR-QGZVFWFLSA-N 1 1 298.434 2.874 50 0 CFAAMO CCC[N@H+]1CCC[C@@H](Nc2nnc(C(C)C)s2)C1 ZINC000670426624 540989729 /nfs/dbraw/zinc/98/97/29/540989729.db2.gz YSEIKHYOYVRGSB-LLVKDONJSA-N 1 1 268.430 2.948 50 0 CFAAMO Cc1nc(C[C@@H]2CCCC[N@@H+]2C)n(Cc2ccccc2)n1 ZINC000670472810 541011338 /nfs/dbraw/zinc/01/13/38/541011338.db2.gz GYCQQKBYCCOLPP-INIZCTEOSA-N 1 1 284.407 2.662 50 0 CFAAMO Cc1nc(C[C@H]2CCCC[N@@H+]2C)n(Cc2ccccc2)n1 ZINC000670472811 541011351 /nfs/dbraw/zinc/01/13/51/541011351.db2.gz GYCQQKBYCCOLPP-MRXNPFEDSA-N 1 1 284.407 2.662 50 0 CFAAMO C[N@H+]1CCN(Cc2ccc(C(F)(F)F)nc2)CC1(C)C ZINC000670474308 541011541 /nfs/dbraw/zinc/01/15/41/541011541.db2.gz FPWFXVAAKFAYNO-UHFFFAOYSA-N 1 1 287.329 2.626 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000823778685 781938534 /nfs/dbraw/zinc/93/85/34/781938534.db2.gz YIVLMYXWFGHEOY-AWEZNQCLSA-N 1 1 264.413 2.654 50 0 CFAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(c1nc3ccccc3o1)C2 ZINC000823806663 781938888 /nfs/dbraw/zinc/93/88/88/781938888.db2.gz AXNCQSQJLHLRKV-STQMWFEESA-N 1 1 271.364 2.748 50 0 CFAAMO Cc1cccc(N2CCC(NC(=O)[C@@H]3CC=CCC3)CC2)[nH+]1 ZINC000116668997 376200501 /nfs/dbraw/zinc/20/05/01/376200501.db2.gz PKNLSMHZADBHGF-OAHLLOKOSA-N 1 1 299.418 2.831 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000000209118 371559643 /nfs/dbraw/zinc/55/96/43/371559643.db2.gz LNUXVQUYWFPQMH-LLVKDONJSA-N 1 1 284.197 2.653 50 0 CFAAMO c1ccc(COC(CN2CCCC2)C[NH+]2CCCC2)cc1 ZINC000000218672 371561223 /nfs/dbraw/zinc/56/12/23/371561223.db2.gz IBMPUALBEUMVNC-UHFFFAOYSA-N 1 1 288.435 2.763 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000000236583 371563874 /nfs/dbraw/zinc/56/38/74/371563874.db2.gz JVHDHWVQQPWGLP-LBPRGKRZSA-N 1 1 283.318 2.740 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000000236583 371563882 /nfs/dbraw/zinc/56/38/82/371563882.db2.gz JVHDHWVQQPWGLP-LBPRGKRZSA-N 1 1 283.318 2.740 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000000240344 371565987 /nfs/dbraw/zinc/56/59/87/371565987.db2.gz KKCDJKPEBVZDHO-CJNGLKHVSA-N 1 1 297.826 2.949 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000000278619 371576903 /nfs/dbraw/zinc/57/69/03/371576903.db2.gz CLFOEIXTCSWHRB-OAHLLOKOSA-N 1 1 261.365 2.504 50 0 CFAAMO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1O ZINC000000292277 371579265 /nfs/dbraw/zinc/57/92/65/371579265.db2.gz VDKMQBUSKIFGDU-UHFFFAOYSA-N 1 1 298.386 2.723 50 0 CFAAMO CCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000000526256 371635371 /nfs/dbraw/zinc/63/53/71/371635371.db2.gz YZOFFOOGEUJNQN-ZFWWWQNUSA-N 1 1 258.365 2.539 50 0 CFAAMO COC(=O)c1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000002823605 371756859 /nfs/dbraw/zinc/75/68/59/371756859.db2.gz KESHTUNMCPTTJY-CQSZACIVSA-N 1 1 291.391 2.974 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3cccs3)cs2)CC1 ZINC000003351081 371793442 /nfs/dbraw/zinc/79/34/42/371793442.db2.gz RBDUXCOZGSVXEU-UHFFFAOYSA-N 1 1 265.407 2.623 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1OC ZINC000003237450 371783214 /nfs/dbraw/zinc/78/32/14/371783214.db2.gz BLQWAJWTBXEGIZ-ZDUSSCGKSA-N 1 1 276.380 2.898 50 0 CFAAMO Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000003378665 371794399 /nfs/dbraw/zinc/79/43/99/371794399.db2.gz IBPULAJJIUSGER-AWEZNQCLSA-N 1 1 272.348 2.621 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccco1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000003440337 371800278 /nfs/dbraw/zinc/80/02/78/371800278.db2.gz BDWQDHSMFPQUBF-QWHCGFSZSA-N 1 1 284.359 2.736 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004019250 371829053 /nfs/dbraw/zinc/82/90/53/371829053.db2.gz DAGGEUHIWOTDNG-UMVBOHGHSA-N 1 1 292.423 2.522 50 0 CFAAMO Cc1cc(C)n(C[N@H+]2CCC[C@H](C)C2)c(=S)c1C(N)=O ZINC000009366389 371900570 /nfs/dbraw/zinc/90/05/70/371900570.db2.gz VZHMAESRQKDKFG-JTQLQIEISA-N 1 1 293.436 2.623 50 0 CFAAMO Cc1cc(C)n(C[N@@H+]2CCC[C@H](C)C2)c(=S)c1C(N)=O ZINC000009366389 371900573 /nfs/dbraw/zinc/90/05/73/371900573.db2.gz VZHMAESRQKDKFG-JTQLQIEISA-N 1 1 293.436 2.623 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)no1 ZINC000010339844 371906549 /nfs/dbraw/zinc/90/65/49/371906549.db2.gz CEYRUNMQDDVGPL-CQSZACIVSA-N 1 1 285.347 2.759 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)no1 ZINC000010339844 371906554 /nfs/dbraw/zinc/90/65/54/371906554.db2.gz CEYRUNMQDDVGPL-CQSZACIVSA-N 1 1 285.347 2.759 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000010384232 371908333 /nfs/dbraw/zinc/90/83/33/371908333.db2.gz JRDUHCQHWWEBQK-XHSDSOJGSA-N 1 1 277.408 2.998 50 0 CFAAMO Cc1[nH+]cc(CN2CCO[C@H](CC3CCCCC3)C2)n1C ZINC000012305421 371950247 /nfs/dbraw/zinc/95/02/47/371950247.db2.gz QVKXDIQOIVXOAB-QGZVFWFLSA-N 1 1 291.439 2.900 50 0 CFAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000012226236 371950720 /nfs/dbraw/zinc/95/07/20/371950720.db2.gz TUFSJEQFHLWOCQ-KRWDZBQOSA-N 1 1 298.386 2.717 50 0 CFAAMO Cc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016578867 372110160 /nfs/dbraw/zinc/11/01/60/372110160.db2.gz AXOOJLOJCMLUJF-NVXWUHKLSA-N 1 1 277.408 2.604 50 0 CFAAMO O=c1[nH]c(C[NH+]2CCCCCC2)nc2ccc(Cl)cc21 ZINC000015376132 372083887 /nfs/dbraw/zinc/08/38/87/372083887.db2.gz DYHPAWYAFCIIBE-UHFFFAOYSA-N 1 1 291.782 2.953 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1ccccc1Cl ZINC000019366938 372156862 /nfs/dbraw/zinc/15/68/62/372156862.db2.gz RWEKAEFOBTXOND-ZDUSSCGKSA-N 1 1 252.789 2.914 50 0 CFAAMO CCN1CCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC000019366938 372156868 /nfs/dbraw/zinc/15/68/68/372156868.db2.gz RWEKAEFOBTXOND-ZDUSSCGKSA-N 1 1 252.789 2.914 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000019536461 372174501 /nfs/dbraw/zinc/17/45/01/372174501.db2.gz DJEZEGQIKVSFRB-GFCCVEGCSA-N 1 1 267.394 2.832 50 0 CFAAMO CC[NH+](CC)CCN[C@@H](C)c1cccc(OC)c1 ZINC000019919421 372210362 /nfs/dbraw/zinc/21/03/62/372210362.db2.gz SICMIVLHEZLVAJ-ZDUSSCGKSA-N 1 1 250.386 2.688 50 0 CFAAMO CCC[N@@H+]1CCc2c(sc3nc(SC)nc(N)c23)C1 ZINC000019939196 372212500 /nfs/dbraw/zinc/21/25/00/372212500.db2.gz DOAWVCGKMIKIIO-UHFFFAOYSA-N 1 1 294.449 2.764 50 0 CFAAMO CCC[N@H+]1CCc2c(sc3nc(SC)nc(N)c23)C1 ZINC000019939196 372212511 /nfs/dbraw/zinc/21/25/11/372212511.db2.gz DOAWVCGKMIKIIO-UHFFFAOYSA-N 1 1 294.449 2.764 50 0 CFAAMO CC1(C)C[C@H](C[N@H+]2CC[C@@](O)(c3ccccc3)C2)CCO1 ZINC000019952748 372213905 /nfs/dbraw/zinc/21/39/05/372213905.db2.gz YXUVAYFFOOZIPC-QAPCUYQASA-N 1 1 289.419 2.785 50 0 CFAAMO CCCC[NH+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000019788953 372188025 /nfs/dbraw/zinc/18/80/25/372188025.db2.gz ZGDJONNFEDALJH-UHFFFAOYSA-N 1 1 298.434 2.994 50 0 CFAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(CN1CC[NH+](C)CC1)c2=O ZINC000019793542 372188468 /nfs/dbraw/zinc/18/84/68/372188468.db2.gz RRKQHSDOYPERGS-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+]1CCN(C)CC1)c2=O ZINC000019793542 372188477 /nfs/dbraw/zinc/18/84/77/372188477.db2.gz RRKQHSDOYPERGS-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000025054881 372289477 /nfs/dbraw/zinc/28/94/77/372289477.db2.gz MRBWGHJZGIKUDH-ZDUSSCGKSA-N 1 1 260.381 2.972 50 0 CFAAMO CCOc1c(CNC[C@@H]2CCC[N@H+]2CC)cccc1OC ZINC000022936393 372248530 /nfs/dbraw/zinc/24/85/30/372248530.db2.gz OBTGMCDGYFCGKH-HNNXBMFYSA-N 1 1 292.423 2.668 50 0 CFAAMO CCOc1c(C[NH2+]C[C@@H]2CCCN2CC)cccc1OC ZINC000022936393 372248535 /nfs/dbraw/zinc/24/85/35/372248535.db2.gz OBTGMCDGYFCGKH-HNNXBMFYSA-N 1 1 292.423 2.668 50 0 CFAAMO CCOc1cc(CNC[C@@H]2CCC[N@@H+]2CC)ccc1OC ZINC000022936440 372248671 /nfs/dbraw/zinc/24/86/71/372248671.db2.gz YRRXZVMYHNUNAC-HNNXBMFYSA-N 1 1 292.423 2.668 50 0 CFAAMO CCOc1cc(CNC[C@@H]2CCC[N@H+]2CC)ccc1OC ZINC000022936440 372248674 /nfs/dbraw/zinc/24/86/74/372248674.db2.gz YRRXZVMYHNUNAC-HNNXBMFYSA-N 1 1 292.423 2.668 50 0 CFAAMO OCC[C@@H]1CN(Cc2ccsc2)CC[N@H+]1C1CCCC1 ZINC000022932638 372248684 /nfs/dbraw/zinc/24/86/84/372248684.db2.gz ZMNBQQQTSQEENK-MRXNPFEDSA-N 1 1 294.464 2.559 50 0 CFAAMO COc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000023114854 372250629 /nfs/dbraw/zinc/25/06/29/372250629.db2.gz DQBLKCCPEBLPCS-OKILXGFUSA-N 1 1 263.381 2.921 50 0 CFAAMO C[N@@H+](CCC(=O)Nc1ccccc1F)Cc1ccco1 ZINC000023175020 372253811 /nfs/dbraw/zinc/25/38/11/372253811.db2.gz NFSAAWBIIKAZJG-UHFFFAOYSA-N 1 1 276.311 2.879 50 0 CFAAMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025441596 372300791 /nfs/dbraw/zinc/30/07/91/372300791.db2.gz CXXLPWQHQOMCOF-SFHVURJKSA-N 1 1 294.398 2.993 50 0 CFAAMO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)c1 ZINC000023471799 372260006 /nfs/dbraw/zinc/26/00/06/372260006.db2.gz YGQZJYWNJRYUID-WBVHZDCISA-N 1 1 258.409 2.972 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccco1)[C@@H]1CCc2ccccc21 ZINC000024985113 372285996 /nfs/dbraw/zinc/28/59/96/372285996.db2.gz QJMFLQCPQCWTGO-MRXNPFEDSA-N 1 1 284.359 2.515 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@@H]1c1cccs1)NC1CC1 ZINC000026904155 372331297 /nfs/dbraw/zinc/33/12/97/372331297.db2.gz FQHXKBJGCYUTCV-GFCCVEGCSA-N 1 1 264.394 2.554 50 0 CFAAMO Cc1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000027932327 372353380 /nfs/dbraw/zinc/35/33/80/372353380.db2.gz IKDUAVSPPWPBPZ-AWEZNQCLSA-N 1 1 273.380 2.615 50 0 CFAAMO CC(C)(CNC(=O)C1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000029160922 372374540 /nfs/dbraw/zinc/37/45/40/372374540.db2.gz TXLKOLXXLPSGBV-UHFFFAOYSA-N 1 1 286.419 2.740 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000029725037 372384393 /nfs/dbraw/zinc/38/43/93/372384393.db2.gz XMUSHXGIVUPPRY-LLVKDONJSA-N 1 1 283.375 2.686 50 0 CFAAMO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031543652 372412123 /nfs/dbraw/zinc/41/21/23/372412123.db2.gz HMOSOLYBBHMKNX-OAHLLOKOSA-N 1 1 274.408 2.813 50 0 CFAAMO COc1ccc(-c2ccc(N)[nH+]c2C)c(OC)c1OC ZINC000032529764 372443261 /nfs/dbraw/zinc/44/32/61/372443261.db2.gz DYEVDSWPXZGTGO-UHFFFAOYSA-N 1 1 274.320 2.665 50 0 CFAAMO O[C@@H](C[NH+]1CCOCC1)c1ccc(-c2ccsc2)cc1 ZINC000032590520 372447543 /nfs/dbraw/zinc/44/75/43/372447543.db2.gz JOXLDJHWRPGVQS-INIZCTEOSA-N 1 1 289.400 2.781 50 0 CFAAMO Nc1ccc2[nH]c(C=Cc3cccc(N)c3)[nH+]c2c1 ZINC000033394226 372493108 /nfs/dbraw/zinc/49/31/08/372493108.db2.gz HZWLXRMTHYWEJL-DAXSKMNVSA-N 1 1 250.305 2.898 50 0 CFAAMO CCC[N@H+](Cc1ccco1)C[C@H](O)COCc1ccco1 ZINC000036096502 372557763 /nfs/dbraw/zinc/55/77/63/372557763.db2.gz UHROGBPJPVOWDD-AWEZNQCLSA-N 1 1 293.363 2.662 50 0 CFAAMO Nc1ccccc1C[N@@H+](C[C@H]1CCCCO1)C1CC1 ZINC000036231158 372567762 /nfs/dbraw/zinc/56/77/62/372567762.db2.gz ATBXIJRLNBPGIF-OAHLLOKOSA-N 1 1 260.381 2.802 50 0 CFAAMO c1coc(C[NH+]2CCN(c3cnc4ccccc4n3)CC2)c1 ZINC000036393415 372577595 /nfs/dbraw/zinc/57/75/95/372577595.db2.gz HWKCRBOGSBZKLR-UHFFFAOYSA-N 1 1 294.358 2.545 50 0 CFAAMO CC[NH+]1CCN(C(=O)C2(c3ccccc3Cl)CC2)CC1 ZINC000041501863 372844067 /nfs/dbraw/zinc/84/40/67/372844067.db2.gz FBYRTHRTOAXYRC-UHFFFAOYSA-N 1 1 292.810 2.536 50 0 CFAAMO Cn1ccc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1=O ZINC000042112388 372873807 /nfs/dbraw/zinc/87/38/07/372873807.db2.gz NOCPDINMNJZVCU-QGZVFWFLSA-N 1 1 282.387 2.895 50 0 CFAAMO CC[N@@H+]1CC[C@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000041651850 372858222 /nfs/dbraw/zinc/85/82/22/372858222.db2.gz MMHVGNHORNINFX-CQSZACIVSA-N 1 1 284.407 2.508 50 0 CFAAMO CC[N@H+]1CC[C@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000041651850 372858236 /nfs/dbraw/zinc/85/82/36/372858236.db2.gz MMHVGNHORNINFX-CQSZACIVSA-N 1 1 284.407 2.508 50 0 CFAAMO CCOC(=O)CCCC(=O)c1ccc(C[NH+]2CCC2)cc1 ZINC000043210888 372983357 /nfs/dbraw/zinc/98/33/57/372983357.db2.gz PNBROBQXJQNRCL-UHFFFAOYSA-N 1 1 289.375 2.808 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccs2)C1 ZINC000047416332 373094015 /nfs/dbraw/zinc/09/40/15/373094015.db2.gz TZPFWNSZZLUTOD-BETUJISGSA-N 1 1 280.437 2.846 50 0 CFAAMO Cc1csc(=O)n1CC[N@@H+](C)CCCc1ccccc1 ZINC000048260811 373157420 /nfs/dbraw/zinc/15/74/20/373157420.db2.gz JSFMZGUZMMXDBS-UHFFFAOYSA-N 1 1 290.432 2.783 50 0 CFAAMO Cc1ccc2nc(C)c(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2c1 ZINC000048324866 373163089 /nfs/dbraw/zinc/16/30/89/373163089.db2.gz ZAMIVMHCSKYDOH-HNNXBMFYSA-N 1 1 297.402 2.676 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000048346063 373167528 /nfs/dbraw/zinc/16/75/28/373167528.db2.gz WUVXNMGJDAOYIV-CYBMUJFWSA-N 1 1 292.766 2.952 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000048346063 373167535 /nfs/dbraw/zinc/16/75/35/373167535.db2.gz WUVXNMGJDAOYIV-CYBMUJFWSA-N 1 1 292.766 2.952 50 0 CFAAMO CCCC[N@@H+](CCO)Cc1coc(-c2ccccc2)n1 ZINC000049800485 373314734 /nfs/dbraw/zinc/31/47/34/373314734.db2.gz XANMTLPEDCCCOA-UHFFFAOYSA-N 1 1 274.364 2.936 50 0 CFAAMO COc1ccc(Br)cc1[C@H]1[NH2+]CCS1 ZINC000053993696 373490972 /nfs/dbraw/zinc/49/09/72/373490972.db2.gz DAMNTCVNVMDBSU-JTQLQIEISA-N 1 1 274.183 2.793 50 0 CFAAMO CCc1ccc2[nH+]c(NCCNC(C)=O)cc(C)c2c1 ZINC000055211466 373544737 /nfs/dbraw/zinc/54/47/37/373544737.db2.gz MCSDBFKOLUTMBL-UHFFFAOYSA-N 1 1 271.364 2.654 50 0 CFAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2cccnc2)c1 ZINC000055357629 373549017 /nfs/dbraw/zinc/54/90/17/373549017.db2.gz DTETYWWFJNLILE-AWEZNQCLSA-N 1 1 255.365 2.848 50 0 CFAAMO O=C(CCc1ccccc1Cl)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000058183170 373631170 /nfs/dbraw/zinc/63/11/70/373631170.db2.gz IBDOVUGPEWLAKE-ZDUSSCGKSA-N 1 1 292.810 2.626 50 0 CFAAMO CCOc1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000058195936 373631470 /nfs/dbraw/zinc/63/14/70/373631470.db2.gz HTUPOGGGXAJBDN-AWEZNQCLSA-N 1 1 290.407 2.545 50 0 CFAAMO CCN(C(C)=O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058311727 373644807 /nfs/dbraw/zinc/64/48/07/373644807.db2.gz AQJCTIIATUSJFQ-BBRMVZONSA-N 1 1 260.381 2.690 50 0 CFAAMO Cc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)o1 ZINC000058393350 373654863 /nfs/dbraw/zinc/65/48/63/373654863.db2.gz QTUDXYWXMLKOIV-GFCCVEGCSA-N 1 1 276.384 2.547 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000059188485 373678295 /nfs/dbraw/zinc/67/82/95/373678295.db2.gz GGLAUQAPUFHLLC-HNNXBMFYSA-N 1 1 295.448 2.889 50 0 CFAAMO Fc1cccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1F ZINC000060363249 373692249 /nfs/dbraw/zinc/69/22/49/373692249.db2.gz CCWFZBXQTGOWRN-GFCCVEGCSA-N 1 1 283.318 2.550 50 0 CFAAMO Cc1[nH+]ccn1CC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000062130337 373752171 /nfs/dbraw/zinc/75/21/71/373752171.db2.gz YMKPWDKZLFBLFS-SNAWJCMRSA-N 1 1 299.374 2.737 50 0 CFAAMO C/C=C(\C)C[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000065495785 373879265 /nfs/dbraw/zinc/87/92/65/373879265.db2.gz UXWMCYDMGSNYLF-HZRBCOPISA-N 1 1 266.429 2.529 50 0 CFAAMO Cc1cnc(C)c(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000065505675 373879700 /nfs/dbraw/zinc/87/97/00/373879700.db2.gz DQRCQDCIQJTZGV-UHFFFAOYSA-N 1 1 283.375 2.593 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(C2Cc3ccccc3C2)C1 ZINC000065526323 373882598 /nfs/dbraw/zinc/88/25/98/373882598.db2.gz HZWFADICECYKQZ-CQSZACIVSA-N 1 1 270.420 2.712 50 0 CFAAMO C[C@@H]1CCCCN1C1C[NH+](C2Cc3ccccc3C2)C1 ZINC000065526323 373882605 /nfs/dbraw/zinc/88/26/05/373882605.db2.gz HZWFADICECYKQZ-CQSZACIVSA-N 1 1 270.420 2.712 50 0 CFAAMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065564734 373886511 /nfs/dbraw/zinc/88/65/11/373886511.db2.gz ICTIAHMQDNNUBO-UWVGGRQHSA-N 1 1 280.334 2.564 50 0 CFAAMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065564734 373886519 /nfs/dbraw/zinc/88/65/19/373886519.db2.gz ICTIAHMQDNNUBO-UWVGGRQHSA-N 1 1 280.334 2.564 50 0 CFAAMO CCCC(=O)NCc1ccc(-n2cc[nH+]c2CC)cc1 ZINC000065201797 373848000 /nfs/dbraw/zinc/84/80/00/373848000.db2.gz RVJUJKIWLBAEHO-UHFFFAOYSA-N 1 1 271.364 2.851 50 0 CFAAMO Cc1nn(C)c(Cl)c1CN(C)CC[N@@H+]1CCCC[C@@H]1C ZINC000065375250 373860925 /nfs/dbraw/zinc/86/09/25/373860925.db2.gz BEQHSTBHQXESEZ-LBPRGKRZSA-N 1 1 298.862 2.688 50 0 CFAAMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000065383196 373861716 /nfs/dbraw/zinc/86/17/16/373861716.db2.gz XFQAZHWNUKMUPF-WMZOPIPTSA-N 1 1 287.403 2.749 50 0 CFAAMO COc1ncc(C[N@@H+](C)Cc2cccc3ncccc23)cn1 ZINC000065394617 373863767 /nfs/dbraw/zinc/86/37/67/373863767.db2.gz RYFYTDGPLXZTRJ-UHFFFAOYSA-N 1 1 294.358 2.665 50 0 CFAAMO Cc1ncc(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)[nH]1 ZINC000065398707 373865999 /nfs/dbraw/zinc/86/59/99/373865999.db2.gz AMTWMAAKGKAGMN-OAHLLOKOSA-N 1 1 284.407 2.676 50 0 CFAAMO Cc1nc(C[N@H+](C)C[C@H]2CCN(c3ccccc3)C2)c[nH]1 ZINC000065398707 373866004 /nfs/dbraw/zinc/86/60/04/373866004.db2.gz AMTWMAAKGKAGMN-OAHLLOKOSA-N 1 1 284.407 2.676 50 0 CFAAMO Cc1nc(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)c[nH]1 ZINC000065398707 373866010 /nfs/dbraw/zinc/86/60/10/373866010.db2.gz AMTWMAAKGKAGMN-OAHLLOKOSA-N 1 1 284.407 2.676 50 0 CFAAMO COc1ccc(C(C)C)cc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000065417598 373868575 /nfs/dbraw/zinc/86/85/75/373868575.db2.gz DATRQLKIKYPVNK-HNNXBMFYSA-N 1 1 271.364 2.777 50 0 CFAAMO CC(C)[N@H+](Cc1ccc2ccccc2n1)C[C@@H]1CCC(=O)N1 ZINC000065424074 373870967 /nfs/dbraw/zinc/87/09/67/373870967.db2.gz RLGSJJKDVMYTIU-INIZCTEOSA-N 1 1 297.402 2.724 50 0 CFAAMO Cc1nc(C)c(CN2CC([N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000067770172 373999439 /nfs/dbraw/zinc/99/94/39/373999439.db2.gz COLBHPSNOHPAAQ-LLVKDONJSA-N 1 1 279.453 2.819 50 0 CFAAMO Cc1nc(C)c(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000067770170 373999785 /nfs/dbraw/zinc/99/97/85/373999785.db2.gz COLBHPSNOHPAAQ-NSHDSACASA-N 1 1 279.453 2.819 50 0 CFAAMO CCCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000067783660 374000944 /nfs/dbraw/zinc/00/09/44/374000944.db2.gz OPPYCYCTGWSONI-CQSZACIVSA-N 1 1 290.407 2.547 50 0 CFAAMO Cc1cc(C(=O)N2CC[N@H+](C(C)C)[C@H](C)C2)ccc1F ZINC000067817664 374003775 /nfs/dbraw/zinc/00/37/75/374003775.db2.gz DQOQXFZMIRVFSL-CYBMUJFWSA-N 1 1 278.371 2.689 50 0 CFAAMO O[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067805127 374004185 /nfs/dbraw/zinc/00/41/85/374004185.db2.gz WWTQEULYIDRXRP-LSDHHAIUSA-N 1 1 289.375 2.508 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CC2=CCCCC2)C1 ZINC000067833775 374005983 /nfs/dbraw/zinc/00/59/83/374005983.db2.gz YZKUYRJIYHOXQT-HNNXBMFYSA-N 1 1 264.413 2.723 50 0 CFAAMO COc1cc(C[N@@H+](C)CCC2(O)CCCC2)cc(F)c1O ZINC000067846900 374008805 /nfs/dbraw/zinc/00/88/05/374008805.db2.gz HESUQJHMDJDRCU-UHFFFAOYSA-N 1 1 297.370 2.667 50 0 CFAAMO C=Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000067868965 374011399 /nfs/dbraw/zinc/01/13/99/374011399.db2.gz VOOYRAQSZUKDAP-KRWDZBQOSA-N 1 1 272.392 2.678 50 0 CFAAMO C[N@H+]1CC[C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000067919681 374015058 /nfs/dbraw/zinc/01/50/58/374015058.db2.gz PSMVNYDKPQSUTE-AWEZNQCLSA-N 1 1 299.418 2.559 50 0 CFAAMO C[C@H](c1cccnc1)[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000067964804 374018064 /nfs/dbraw/zinc/01/80/64/374018064.db2.gz PDDJEISPGNBDJK-CQSZACIVSA-N 1 1 297.406 2.665 50 0 CFAAMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000067964804 374018073 /nfs/dbraw/zinc/01/80/73/374018073.db2.gz PDDJEISPGNBDJK-CQSZACIVSA-N 1 1 297.406 2.665 50 0 CFAAMO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(O)CC1 ZINC000067675769 373991463 /nfs/dbraw/zinc/99/14/63/373991463.db2.gz DCGHQCGACXYXBL-UHFFFAOYSA-N 1 1 286.375 2.915 50 0 CFAAMO c1ccc2oc(C[NH2+]Cc3ccc4c(c3)OCCO4)nc2c1 ZINC000069173240 374049764 /nfs/dbraw/zinc/04/97/64/374049764.db2.gz PPFCNFQLVQGPBG-UHFFFAOYSA-N 1 1 296.326 2.889 50 0 CFAAMO C[N@H+](CCc1cccc2ccccc21)[C@H]1CCOC1=O ZINC000069420257 374061989 /nfs/dbraw/zinc/06/19/89/374061989.db2.gz SHOKILWMWWOFLT-INIZCTEOSA-N 1 1 269.344 2.630 50 0 CFAAMO C[N@@H+](CCc1cccc2ccccc21)[C@H]1CCOC1=O ZINC000069420257 374061998 /nfs/dbraw/zinc/06/19/98/374061998.db2.gz SHOKILWMWWOFLT-INIZCTEOSA-N 1 1 269.344 2.630 50 0 CFAAMO C[N@H+](CCc1cccc2ccccc21)[C@@H]1CCOC1=O ZINC000069420256 374062213 /nfs/dbraw/zinc/06/22/13/374062213.db2.gz SHOKILWMWWOFLT-MRXNPFEDSA-N 1 1 269.344 2.630 50 0 CFAAMO C[N@@H+](CCc1cccc2ccccc21)[C@@H]1CCOC1=O ZINC000069420256 374062225 /nfs/dbraw/zinc/06/22/25/374062225.db2.gz SHOKILWMWWOFLT-MRXNPFEDSA-N 1 1 269.344 2.630 50 0 CFAAMO Fc1cccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000069508401 374070574 /nfs/dbraw/zinc/07/05/74/374070574.db2.gz JYMFIEALGDWDNS-AWEZNQCLSA-N 1 1 265.328 2.553 50 0 CFAAMO Fc1cccc(C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000069508401 374070578 /nfs/dbraw/zinc/07/05/78/374070578.db2.gz JYMFIEALGDWDNS-AWEZNQCLSA-N 1 1 265.328 2.553 50 0 CFAAMO Clc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000069657727 374083193 /nfs/dbraw/zinc/08/31/93/374083193.db2.gz WXQQHEDUFHBOHU-LLVKDONJSA-N 1 1 296.827 2.905 50 0 CFAAMO CC(C)C[N@H+]1CCCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000069900836 374109125 /nfs/dbraw/zinc/10/91/25/374109125.db2.gz FFUKLXVDFXBPQV-UHFFFAOYSA-N 1 1 296.361 2.769 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000069919433 374109560 /nfs/dbraw/zinc/10/95/60/374109560.db2.gz CHQNWRVSIVRYFA-INIZCTEOSA-N 1 1 270.380 2.560 50 0 CFAAMO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]2Cn2cccn2)o1 ZINC000069947414 374112388 /nfs/dbraw/zinc/11/23/88/374112388.db2.gz DJYKDAHIOUDLNY-ZDUSSCGKSA-N 1 1 288.395 2.833 50 0 CFAAMO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]2Cn2cccn2)o1 ZINC000069947414 374112393 /nfs/dbraw/zinc/11/23/93/374112393.db2.gz DJYKDAHIOUDLNY-ZDUSSCGKSA-N 1 1 288.395 2.833 50 0 CFAAMO CC[N@H+](Cc1ccccc1C)[C@H](C)CS(=O)(=O)CC ZINC000069656386 374083656 /nfs/dbraw/zinc/08/36/56/374083656.db2.gz SRHBDYPCLWAMAQ-CQSZACIVSA-N 1 1 283.437 2.640 50 0 CFAAMO CC[N@@H+](Cc1ccccc1C)[C@H](C)CS(=O)(=O)CC ZINC000069656386 374083662 /nfs/dbraw/zinc/08/36/62/374083662.db2.gz SRHBDYPCLWAMAQ-CQSZACIVSA-N 1 1 283.437 2.640 50 0 CFAAMO Cn1ccnc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069777357 374096268 /nfs/dbraw/zinc/09/62/68/374096268.db2.gz JKQRSLLBTFIXSD-ZDUSSCGKSA-N 1 1 259.328 2.549 50 0 CFAAMO Cn1ccnc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069777357 374096270 /nfs/dbraw/zinc/09/62/70/374096270.db2.gz JKQRSLLBTFIXSD-ZDUSSCGKSA-N 1 1 259.328 2.549 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000069809562 374099887 /nfs/dbraw/zinc/09/98/87/374099887.db2.gz DFAIFBCOFSBDMP-UHFFFAOYSA-N 1 1 298.789 2.576 50 0 CFAAMO CC(C)C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccncc2)no1 ZINC000069879168 374107255 /nfs/dbraw/zinc/10/72/55/374107255.db2.gz FOGKWRHXRVVJOJ-GFCCVEGCSA-N 1 1 274.368 2.998 50 0 CFAAMO CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071762163 374220821 /nfs/dbraw/zinc/22/08/21/374220821.db2.gz DDXOJWIBQYMJKG-QGZVFWFLSA-N 1 1 292.398 2.905 50 0 CFAAMO NC(=O)[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000071924527 374232670 /nfs/dbraw/zinc/23/26/70/374232670.db2.gz VZLHDHCCWARFEZ-JCVNQNCUSA-N 1 1 266.344 2.516 50 0 CFAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000071876645 374226884 /nfs/dbraw/zinc/22/68/84/374226884.db2.gz HFNMMTITZWRULZ-LSDHHAIUSA-N 1 1 277.412 2.743 50 0 CFAAMO Cc1cnn(C[C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c1 ZINC000072253187 374237719 /nfs/dbraw/zinc/23/77/19/374237719.db2.gz VQJDKRXJVMOFCM-ZDUSSCGKSA-N 1 1 295.390 2.621 50 0 CFAAMO Cc1nc([C@H]2CCC[N@@H+]2CCc2cccs2)no1 ZINC000075573129 374493248 /nfs/dbraw/zinc/49/32/48/374493248.db2.gz BGKPHVLVLKDQPI-GFCCVEGCSA-N 1 1 263.366 2.819 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+]2CCc2cccs2)no1 ZINC000075573129 374493254 /nfs/dbraw/zinc/49/32/54/374493254.db2.gz BGKPHVLVLKDQPI-GFCCVEGCSA-N 1 1 263.366 2.819 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](CSc3ccccc3)C2)C(=O)O1 ZINC000075965031 374514455 /nfs/dbraw/zinc/51/44/55/374514455.db2.gz OKRJPCYAESQDOJ-VNHYZAJKSA-N 1 1 291.416 2.805 50 0 CFAAMO Cc1ccc(F)c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1Cl ZINC000077438711 374562499 /nfs/dbraw/zinc/56/24/99/374562499.db2.gz ATKJQJQNSOMSQE-CMPLNLGQSA-N 1 1 296.773 2.564 50 0 CFAAMO O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)N1CCCC1 ZINC000077177114 374558281 /nfs/dbraw/zinc/55/82/81/374558281.db2.gz LDXWPWDJVAFZEH-AWEZNQCLSA-N 1 1 276.380 2.819 50 0 CFAAMO Cc1cc(N2CC[C@@H](Nc3ccccc3)C2)nc(C)[nH+]1 ZINC000078988136 374580574 /nfs/dbraw/zinc/58/05/74/374580574.db2.gz DOLAZAMNVVATTO-OAHLLOKOSA-N 1 1 268.364 2.784 50 0 CFAAMO CCCCS[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000079098890 374593690 /nfs/dbraw/zinc/59/36/90/374593690.db2.gz AYCSBRRAJSYVPB-OUCADQQQSA-N 1 1 284.469 2.507 50 0 CFAAMO Cc1ccc(C)n1CCn1c[nH+]c2cc(N)ccc21 ZINC000079124117 374597042 /nfs/dbraw/zinc/59/70/42/374597042.db2.gz SPQSMIXCSVASJE-UHFFFAOYSA-N 1 1 254.337 2.737 50 0 CFAAMO Nc1cccc2c1[C@H]1Cc3ccccc3C[N@@H+]1CC2 ZINC000085210704 374798965 /nfs/dbraw/zinc/79/89/65/374798965.db2.gz QPEHFLDDDJRDBU-MRXNPFEDSA-N 1 1 250.345 2.924 50 0 CFAAMO Nc1cccc2c1[C@H]1Cc3ccccc3C[N@H+]1CC2 ZINC000085210704 374798970 /nfs/dbraw/zinc/79/89/70/374798970.db2.gz QPEHFLDDDJRDBU-MRXNPFEDSA-N 1 1 250.345 2.924 50 0 CFAAMO CCCN1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000087709190 374828220 /nfs/dbraw/zinc/82/82/20/374828220.db2.gz GPACHYKNZQBJDA-JKSUJKDBSA-N 1 1 280.456 2.798 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000089375340 374897899 /nfs/dbraw/zinc/89/78/99/374897899.db2.gz GASUSFSUFUOXLM-RYUDHWBXSA-N 1 1 285.844 2.855 50 0 CFAAMO Cc1cc(NC(=O)c2ccc(N3CCCC3)nc2)cc(C)[nH+]1 ZINC000089587395 374924700 /nfs/dbraw/zinc/92/47/00/374924700.db2.gz ZCJKBIDLJKVRBV-UHFFFAOYSA-N 1 1 296.374 2.946 50 0 CFAAMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F)s1 ZINC000089656560 374935031 /nfs/dbraw/zinc/93/50/31/374935031.db2.gz XIBQEGALCXICLF-SECBINFHSA-N 1 1 294.342 2.555 50 0 CFAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F)s1 ZINC000089656560 374935034 /nfs/dbraw/zinc/93/50/34/374935034.db2.gz XIBQEGALCXICLF-SECBINFHSA-N 1 1 294.342 2.555 50 0 CFAAMO OC[C@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000089813894 374956752 /nfs/dbraw/zinc/95/67/52/374956752.db2.gz BUBOZABOCCAUHR-LBPRGKRZSA-N 1 1 253.773 2.587 50 0 CFAAMO C[N@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000089906194 374966974 /nfs/dbraw/zinc/96/69/74/374966974.db2.gz KTAROAHTJXIZDY-SJORKVTESA-N 1 1 299.418 2.667 50 0 CFAAMO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000089906194 374966982 /nfs/dbraw/zinc/96/69/82/374966982.db2.gz KTAROAHTJXIZDY-SJORKVTESA-N 1 1 299.418 2.667 50 0 CFAAMO CC(C)n1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000089937098 374973417 /nfs/dbraw/zinc/97/34/17/374973417.db2.gz KPZHWEXBNMOJTR-TXEJJXNPSA-N 1 1 253.415 2.790 50 0 CFAAMO CC(C)n1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000089937098 374973423 /nfs/dbraw/zinc/97/34/23/374973423.db2.gz KPZHWEXBNMOJTR-TXEJJXNPSA-N 1 1 253.415 2.790 50 0 CFAAMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000089942806 374974767 /nfs/dbraw/zinc/97/47/67/374974767.db2.gz ODHMIEBZJPOPHE-ZBFHGGJFSA-N 1 1 287.407 2.768 50 0 CFAAMO O=C(OC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000089974250 374977898 /nfs/dbraw/zinc/97/78/98/374977898.db2.gz UFWCEPGYSFFLLX-MRXNPFEDSA-N 1 1 296.370 2.761 50 0 CFAAMO O=C(OC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000089974249 374978863 /nfs/dbraw/zinc/97/88/63/374978863.db2.gz UFWCEPGYSFFLLX-INIZCTEOSA-N 1 1 296.370 2.761 50 0 CFAAMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000092708665 375142829 /nfs/dbraw/zinc/14/28/29/375142829.db2.gz QSYIKVPMKKAFBC-LBPRGKRZSA-N 1 1 266.410 2.629 50 0 CFAAMO C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCSCC1 ZINC000092873655 375166305 /nfs/dbraw/zinc/16/63/05/375166305.db2.gz STEXQUXQMMXULO-UHFFFAOYSA-N 1 1 265.378 2.743 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)o1 ZINC000092967622 375170973 /nfs/dbraw/zinc/17/09/73/375170973.db2.gz CZLMJJHVAKBDRP-CYBMUJFWSA-N 1 1 259.353 2.876 50 0 CFAAMO CCn1nc(C)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1C ZINC000092540660 375121368 /nfs/dbraw/zinc/12/13/68/375121368.db2.gz QSHCZZNWMBUSDC-PHIMTYICSA-N 1 1 267.442 2.846 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000093338094 375215882 /nfs/dbraw/zinc/21/58/82/375215882.db2.gz DLCQFZKIMNQRPF-CYBMUJFWSA-N 1 1 267.344 2.693 50 0 CFAAMO Cc1nc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)[nH]c1C ZINC000571582474 383707740 /nfs/dbraw/zinc/70/77/40/383707740.db2.gz RXBOEUSTQFMURB-YOEHRIQHSA-N 1 1 286.423 2.808 50 0 CFAAMO NC(=O)N1CCC([N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000093755895 375305073 /nfs/dbraw/zinc/30/50/73/375305073.db2.gz HOASDQYETPLQEO-UHFFFAOYSA-N 1 1 293.455 2.966 50 0 CFAAMO CC[N@H+](Cc1[nH]cc(C)c(=O)c1C)CC1CCOCC1 ZINC000253537077 189994454 /nfs/dbraw/zinc/99/44/54/189994454.db2.gz WOEKNDWALPGBNO-UHFFFAOYSA-N 1 1 278.396 2.653 50 0 CFAAMO Cc1ccc(CNC(=O)c2ccoc2)c(N2CCCC2)[nH+]1 ZINC000095469059 375460041 /nfs/dbraw/zinc/46/00/41/375460041.db2.gz TYFYKNVXMQLAQQ-UHFFFAOYSA-N 1 1 285.347 2.513 50 0 CFAAMO CCO[C@H]1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)C12CCC2 ZINC000095968521 375465370 /nfs/dbraw/zinc/46/53/70/375465370.db2.gz DOMCDIBRVQOPJM-IRXDYDNUSA-N 1 1 292.467 2.798 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000095098702 375416442 /nfs/dbraw/zinc/41/64/42/375416442.db2.gz FGZGKHUZFAYJGU-OAHLLOKOSA-N 1 1 262.397 2.659 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1 ZINC000095098702 375416448 /nfs/dbraw/zinc/41/64/48/375416448.db2.gz FGZGKHUZFAYJGU-OAHLLOKOSA-N 1 1 262.397 2.659 50 0 CFAAMO Cc1nc(NCCCc2cccnc2)c(C)c(C)[nH+]1 ZINC000095361785 375420299 /nfs/dbraw/zinc/42/02/99/375420299.db2.gz ZTNSMGUVIPOJKX-UHFFFAOYSA-N 1 1 256.353 2.842 50 0 CFAAMO c1c[nH]c(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)n1 ZINC000095374588 375422628 /nfs/dbraw/zinc/42/26/28/375422628.db2.gz OVABQMSHRPVFDY-DLBZAZTESA-N 1 1 296.418 2.506 50 0 CFAAMO Cc1ccnc(NC[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000095379545 375425094 /nfs/dbraw/zinc/42/50/94/375425094.db2.gz LROQWWVHGZZQMA-CQSZACIVSA-N 1 1 274.412 2.852 50 0 CFAAMO CCC(CC)NC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000095375852 375425440 /nfs/dbraw/zinc/42/54/40/375425440.db2.gz ZICZDTDXIKQUPW-CQSZACIVSA-N 1 1 266.360 2.733 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2nc(C)cc(C)c21 ZINC000095382900 375426830 /nfs/dbraw/zinc/42/68/30/375426830.db2.gz UDLMYKZJUFTNMY-CYBMUJFWSA-N 1 1 285.395 2.538 50 0 CFAAMO Cc1ccc(CCNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)o1 ZINC000095385219 375427495 /nfs/dbraw/zinc/42/74/95/375427495.db2.gz REJGMBVKTUYLND-CYBMUJFWSA-N 1 1 289.379 2.828 50 0 CFAAMO O=C([C@H]1CCC[N@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC000095400264 375432299 /nfs/dbraw/zinc/43/22/99/375432299.db2.gz FZPURDKQEQXGRY-LBPRGKRZSA-N 1 1 292.345 2.663 50 0 CFAAMO C(C1CCC1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000095404832 375433315 /nfs/dbraw/zinc/43/33/15/375433315.db2.gz ATJGYIIHEPYJOK-HNNXBMFYSA-N 1 1 288.439 2.984 50 0 CFAAMO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C1CCN(C(C)C)CC1 ZINC000095422593 375442806 /nfs/dbraw/zinc/44/28/06/375442806.db2.gz CIZSUVQESQNNCF-QGZVFWFLSA-N 1 1 288.439 2.625 50 0 CFAAMO c1ccc2c(c1)CC[C@]21C[N@@H+](CCc2ccncc2)CCO1 ZINC000095435461 375448255 /nfs/dbraw/zinc/44/82/55/375448255.db2.gz OMVAFHZNALVFRJ-IBGZPJMESA-N 1 1 294.398 2.798 50 0 CFAAMO Cc1cnc(CC[N@H+](C)CCc2ccncc2)s1 ZINC000095438006 375449342 /nfs/dbraw/zinc/44/93/42/375449342.db2.gz QTTJWAZJVOKYQN-UHFFFAOYSA-N 1 1 261.394 2.564 50 0 CFAAMO CCCc1[nH+]ccn1CC[S@@](=O)c1ccccc1 ZINC000095441050 375450752 /nfs/dbraw/zinc/45/07/52/375450752.db2.gz XZEAUXILHVKHGR-SFHVURJKSA-N 1 1 262.378 2.643 50 0 CFAAMO Cc1cccc(NC[C@H](O)COc2ccc(F)c(F)c2)[nH+]1 ZINC000097163293 375534905 /nfs/dbraw/zinc/53/49/05/375534905.db2.gz LHFZECISAYKKCP-NSHDSACASA-N 1 1 294.301 2.520 50 0 CFAAMO C[C@@H]1C[NH+](C2CC(c3cccc(F)c3)C2)C[C@@H](C)N1 ZINC000097165803 375535645 /nfs/dbraw/zinc/53/56/45/375535645.db2.gz ADVOKXJUMRZTRF-LGTQLRDQSA-N 1 1 262.372 2.754 50 0 CFAAMO Cc1cccc(N2CCC([C@](C)(O)C(F)(F)F)CC2)[nH+]1 ZINC000097163430 375535949 /nfs/dbraw/zinc/53/59/49/375535949.db2.gz ABVPPVWVQQFTLD-ZDUSSCGKSA-N 1 1 288.313 2.920 50 0 CFAAMO CC/C=C(\C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000096408201 375485031 /nfs/dbraw/zinc/48/50/31/375485031.db2.gz WSFOIWZVNOFGJP-AWNIVKPZSA-N 1 1 287.407 2.831 50 0 CFAAMO Cn1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000097082148 375508852 /nfs/dbraw/zinc/50/88/52/375508852.db2.gz GMZNYPJBRUTMIJ-BPQIPLTHSA-N 1 1 296.418 2.743 50 0 CFAAMO C[N@H+](Cc1cc(Cl)cc2c1OCC2)C[C@H]1CCOC1 ZINC000097084450 375511592 /nfs/dbraw/zinc/51/15/92/375511592.db2.gz UXMMEAOZDRKYED-LLVKDONJSA-N 1 1 281.783 2.743 50 0 CFAAMO COc1cccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000097085373 375511790 /nfs/dbraw/zinc/51/17/90/375511790.db2.gz XEFRDAZRUZGRMM-LBPRGKRZSA-N 1 1 296.330 2.672 50 0 CFAAMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000097094657 375515305 /nfs/dbraw/zinc/51/53/05/375515305.db2.gz MZAHHXKNYBXLQO-AWEZNQCLSA-N 1 1 281.421 2.643 50 0 CFAAMO Cc1cccc(N2CCC(OC[C@@H]3CCCO3)CC2)[nH+]1 ZINC000097096599 375516650 /nfs/dbraw/zinc/51/66/50/375516650.db2.gz HIIFSHTYBLQFEO-HNNXBMFYSA-N 1 1 276.380 2.554 50 0 CFAAMO CC1CC[NH+](CC(=O)Nc2ccc(O)c(Cl)c2)CC1 ZINC000097236661 375544844 /nfs/dbraw/zinc/54/48/44/375544844.db2.gz JJDANMGUSHOTOE-UHFFFAOYSA-N 1 1 282.771 2.716 50 0 CFAAMO c1csc(C[N@H+]2CCCC3(CCOCC3)C2)n1 ZINC000097307735 375548107 /nfs/dbraw/zinc/54/81/07/375548107.db2.gz WCVMFJYDYIGKHW-UHFFFAOYSA-N 1 1 252.383 2.536 50 0 CFAAMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccnc2)n1 ZINC000097375296 375552773 /nfs/dbraw/zinc/55/27/73/375552773.db2.gz XYXPHUUDZGWKIF-LBPRGKRZSA-N 1 1 257.337 2.684 50 0 CFAAMO Cn1c[nH+]cc1CCNc1nc2ccccc2s1 ZINC000097373082 375552917 /nfs/dbraw/zinc/55/29/17/375552917.db2.gz BMELCXITEVALAZ-UHFFFAOYSA-N 1 1 258.350 2.684 50 0 CFAAMO COCc1cc(C[N@H+]2CCCCC[C@@H]2CO)ccc1OC ZINC000097436981 375559686 /nfs/dbraw/zinc/55/96/86/375559686.db2.gz XNWZFPALVSXPEO-MRXNPFEDSA-N 1 1 293.407 2.579 50 0 CFAAMO COc1ccc(C[N@H+](C)Cc2cnccn2)cc1Cl ZINC000097546503 375568717 /nfs/dbraw/zinc/56/87/17/375568717.db2.gz OEUDJCFEKAAACP-UHFFFAOYSA-N 1 1 277.755 2.771 50 0 CFAAMO COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1Cl ZINC000097546503 375568718 /nfs/dbraw/zinc/56/87/18/375568718.db2.gz OEUDJCFEKAAACP-UHFFFAOYSA-N 1 1 277.755 2.771 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCSc1ccccc1 ZINC000097575075 375568842 /nfs/dbraw/zinc/56/88/42/375568842.db2.gz QVMYGEZMRGWVQQ-OAHLLOKOSA-N 1 1 292.448 2.769 50 0 CFAAMO CCn1nc(C)c(C[N@@H+](C)CCc2ccncc2)c1C ZINC000097655484 375575690 /nfs/dbraw/zinc/57/56/90/375575690.db2.gz BJCQOGRVBSGXCA-UHFFFAOYSA-N 1 1 272.396 2.589 50 0 CFAAMO COC[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1F ZINC000097674452 375577271 /nfs/dbraw/zinc/57/72/71/375577271.db2.gz VHKLTFRWXDCWDQ-CYBMUJFWSA-N 1 1 267.344 2.835 50 0 CFAAMO COc1ccc2[nH]cc([C@H](O)C[N@H+]3CCC[C@H](C)C3)c2c1 ZINC000102753428 375691409 /nfs/dbraw/zinc/69/14/09/375691409.db2.gz NPLPQYZRGWDEBQ-YVEFUNNKSA-N 1 1 288.391 2.942 50 0 CFAAMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000106865462 375803889 /nfs/dbraw/zinc/80/38/89/375803889.db2.gz BCLLHURIICTNQZ-RHSMWYFYSA-N 1 1 285.391 2.608 50 0 CFAAMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@H](C)c1cnccn1 ZINC000108328644 375816044 /nfs/dbraw/zinc/81/60/44/375816044.db2.gz FIHYEKZTAVKWCH-CABCVRRESA-N 1 1 276.428 2.638 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cs1 ZINC000120499096 376627073 /nfs/dbraw/zinc/62/70/73/376627073.db2.gz VMWKXAIGKAPEJE-NSHDSACASA-N 1 1 262.382 2.554 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cs1 ZINC000120499096 376627081 /nfs/dbraw/zinc/62/70/81/376627081.db2.gz VMWKXAIGKAPEJE-NSHDSACASA-N 1 1 262.382 2.554 50 0 CFAAMO c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131836893 377765420 /nfs/dbraw/zinc/76/54/20/377765420.db2.gz SQJNXCFMLKRWIE-MRXNPFEDSA-N 1 1 254.333 2.735 50 0 CFAAMO C[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCC1 ZINC000135254977 378105446 /nfs/dbraw/zinc/10/54/46/378105446.db2.gz YEFLLWAVHGUUSA-UHFFFAOYSA-N 1 1 279.290 2.999 50 0 CFAAMO C[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCC1 ZINC000135254977 378105452 /nfs/dbraw/zinc/10/54/52/378105452.db2.gz YEFLLWAVHGUUSA-UHFFFAOYSA-N 1 1 279.290 2.999 50 0 CFAAMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cn1 ZINC000137081219 378217971 /nfs/dbraw/zinc/21/79/71/378217971.db2.gz IXLAWMYJJLDQBK-OAHLLOKOSA-N 1 1 289.379 2.980 50 0 CFAAMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)cn1 ZINC000137081219 378217977 /nfs/dbraw/zinc/21/79/77/378217977.db2.gz IXLAWMYJJLDQBK-OAHLLOKOSA-N 1 1 289.379 2.980 50 0 CFAAMO Cc1cc(NCc2ccn(-c3ccccc3)n2)nc(C)[nH+]1 ZINC000048230460 412899896 /nfs/dbraw/zinc/89/98/96/412899896.db2.gz VSOUBTNKCSEWPT-UHFFFAOYSA-N 1 1 279.347 2.891 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1noc(C(C)(C)C)n1 ZINC000170615807 379131195 /nfs/dbraw/zinc/13/11/95/379131195.db2.gz UYIZRQHZASFRNQ-LBPRGKRZSA-N 1 1 289.383 2.541 50 0 CFAAMO CCc1cccc(NC(=O)Cn2c[nH+]c(C)c2C)c1 ZINC000171667007 379366141 /nfs/dbraw/zinc/36/61/41/379366141.db2.gz RRTLLCAFZFLYCA-UHFFFAOYSA-N 1 1 257.337 2.701 50 0 CFAAMO Cc1cc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)on1 ZINC000172257256 379527121 /nfs/dbraw/zinc/52/71/21/379527121.db2.gz RQODTXMHPSKAKO-QGZVFWFLSA-N 1 1 286.375 2.855 50 0 CFAAMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC2(CCCC2)C1 ZINC000174270670 379856294 /nfs/dbraw/zinc/85/62/94/379856294.db2.gz QFJQVDJZUAFXIV-HNNXBMFYSA-N 1 1 286.419 2.957 50 0 CFAAMO COCCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000408524663 380940391 /nfs/dbraw/zinc/94/03/91/380940391.db2.gz XGLVVFWNIDUXPB-UHFFFAOYSA-N 1 1 284.350 2.513 50 0 CFAAMO C[N@@H+](Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCCC[C@H]1O ZINC000342795642 381546030 /nfs/dbraw/zinc/54/60/30/381546030.db2.gz GXGMUQZQXNEFGB-ZIAGYGMSSA-N 1 1 277.412 2.509 50 0 CFAAMO C[C@@H](C[NH3+])Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000299781810 382045525 /nfs/dbraw/zinc/04/55/25/382045525.db2.gz WLYWWVVWXSTJRO-ZDUSSCGKSA-N 1 1 274.364 2.638 50 0 CFAAMO Cc1nc[nH]c1C[N@@H+](C)CCn1ccc2ccccc21 ZINC000299789229 382048819 /nfs/dbraw/zinc/04/88/19/382048819.db2.gz UQHQTQRJJMGDDU-UHFFFAOYSA-N 1 1 268.364 2.805 50 0 CFAAMO CCC[C@@]1(CO)CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000377491920 382276874 /nfs/dbraw/zinc/27/68/74/382276874.db2.gz ONGTVGVTDOLLNQ-MRXNPFEDSA-N 1 1 292.354 2.951 50 0 CFAAMO Cc1ncccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000680544063 542336565 /nfs/dbraw/zinc/33/65/65/542336565.db2.gz HHFVSMVYLQCYNC-UHFFFAOYSA-N 1 1 266.348 2.567 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)s1 ZINC000188402407 382408376 /nfs/dbraw/zinc/40/83/76/382408376.db2.gz XGTFTGDVLAOFBS-CYBMUJFWSA-N 1 1 261.394 2.918 50 0 CFAAMO COC(=O)CCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000328597180 382551912 /nfs/dbraw/zinc/55/19/12/382551912.db2.gz FHBUVBMGEZCIKM-OCCSQVGLSA-N 1 1 297.420 2.853 50 0 CFAAMO COC(=O)CCCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000328597180 382551916 /nfs/dbraw/zinc/55/19/16/382551916.db2.gz FHBUVBMGEZCIKM-OCCSQVGLSA-N 1 1 297.420 2.853 50 0 CFAAMO C=CC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000390834752 382619710 /nfs/dbraw/zinc/61/97/10/382619710.db2.gz WQOLARILRHZTBA-GOEBONIOSA-N 1 1 292.329 2.545 50 0 CFAAMO C=CC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000390834752 382619712 /nfs/dbraw/zinc/61/97/12/382619712.db2.gz WQOLARILRHZTBA-GOEBONIOSA-N 1 1 292.329 2.545 50 0 CFAAMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000191175149 382694390 /nfs/dbraw/zinc/69/43/90/382694390.db2.gz CUSXYZKLIMFNIR-LBPRGKRZSA-N 1 1 292.810 2.863 50 0 CFAAMO C[C@H]([NH2+][C@H]1CCSC1)c1nc(Cc2ccccc2)no1 ZINC000191600169 382701441 /nfs/dbraw/zinc/70/14/41/382701441.db2.gz BUTUQNIBDJTDGL-AAEUAGOBSA-N 1 1 289.404 2.817 50 0 CFAAMO COC[C@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)cc1 ZINC000193282546 382717937 /nfs/dbraw/zinc/71/79/37/382717937.db2.gz RBOIFOWYTDUYSI-AWEZNQCLSA-N 1 1 279.771 2.551 50 0 CFAAMO O=C(COc1cc[nH+]c2c1CCCC2)Nc1ccccc1O ZINC000207012245 382773988 /nfs/dbraw/zinc/77/39/88/382773988.db2.gz CIMXDWUQBYQPNZ-UHFFFAOYSA-N 1 1 298.342 2.684 50 0 CFAAMO CC(C)c1nc(C[N@H+](C)[C@H](C)Cc2cnccn2)co1 ZINC000214950350 382777047 /nfs/dbraw/zinc/77/70/47/382777047.db2.gz AONWWMGZDRTPNY-GFCCVEGCSA-N 1 1 274.368 2.651 50 0 CFAAMO CC(C)c1nc(C[N@@H+](C)[C@H](C)Cc2cnccn2)co1 ZINC000214950350 382777048 /nfs/dbraw/zinc/77/70/48/382777048.db2.gz AONWWMGZDRTPNY-GFCCVEGCSA-N 1 1 274.368 2.651 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000215500627 382778886 /nfs/dbraw/zinc/77/88/86/382778886.db2.gz FZBRHBPZCGXCEF-GFCCVEGCSA-N 1 1 276.355 2.786 50 0 CFAAMO CCO[C@H](C)c1ccc(-c2cc(N(C)C)nc(N)[nH+]2)cc1 ZINC000215515183 382779115 /nfs/dbraw/zinc/77/91/15/382779115.db2.gz CIYHUXBRLPJMQZ-LLVKDONJSA-N 1 1 286.379 2.889 50 0 CFAAMO CS[C@H](C)CC[N@H+]1CCCN(Cc2cccnc2)CC1 ZINC000215470362 382779248 /nfs/dbraw/zinc/77/92/48/382779248.db2.gz UMMYNLQNSMSOKM-OAHLLOKOSA-N 1 1 293.480 2.731 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1coc2ccccc12 ZINC000215662920 382779734 /nfs/dbraw/zinc/77/97/34/382779734.db2.gz PIYIGCLXJVGERK-LBPRGKRZSA-N 1 1 272.348 2.647 50 0 CFAAMO C[N@@H+](Cc1ccc2nsnc2c1)CC1(C)CCOCC1 ZINC000215857464 382780790 /nfs/dbraw/zinc/78/07/90/382780790.db2.gz NGXSMIPAJFFKNY-UHFFFAOYSA-N 1 1 291.420 2.940 50 0 CFAAMO C[N@@H+](CCn1cccn1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000216163389 382781907 /nfs/dbraw/zinc/78/19/07/382781907.db2.gz OHBFUFBIWTUTTB-HNNXBMFYSA-N 1 1 289.379 2.850 50 0 CFAAMO C[N@@H+]1CCN(Cc2nccs2)C[C@@H]1c1ccccc1 ZINC000216166904 382782102 /nfs/dbraw/zinc/78/21/02/382782102.db2.gz NQGQYZQPQRYLNH-CQSZACIVSA-N 1 1 273.405 2.632 50 0 CFAAMO C[N@H+]1CCN(Cc2nccs2)C[C@@H]1c1ccccc1 ZINC000216166904 382782104 /nfs/dbraw/zinc/78/21/04/382782104.db2.gz NQGQYZQPQRYLNH-CQSZACIVSA-N 1 1 273.405 2.632 50 0 CFAAMO Cc1c2cc(F)ccc2[nH]c1CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000216338225 382783105 /nfs/dbraw/zinc/78/31/05/382783105.db2.gz NQGSYTYMPGOFSL-YVEFUNNKSA-N 1 1 287.382 2.751 50 0 CFAAMO C[N@@H+](CCc1nc2cc(Cl)ccc2[nH]1)C[C@H]1CCOC1 ZINC000216309282 382783225 /nfs/dbraw/zinc/78/32/25/382783225.db2.gz RWAMNZWMNMGGQY-LLVKDONJSA-N 1 1 293.798 2.727 50 0 CFAAMO C[N@H+](CCc1nc2ccc(Cl)cc2[nH]1)C[C@H]1CCOC1 ZINC000216309282 382783227 /nfs/dbraw/zinc/78/32/27/382783227.db2.gz RWAMNZWMNMGGQY-LLVKDONJSA-N 1 1 293.798 2.727 50 0 CFAAMO C[N@@H+](CCc1nc2ccc(Cl)cc2[nH]1)C[C@H]1CCOC1 ZINC000216309282 382783229 /nfs/dbraw/zinc/78/32/29/382783229.db2.gz RWAMNZWMNMGGQY-LLVKDONJSA-N 1 1 293.798 2.727 50 0 CFAAMO CSc1ccccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000194377302 382742727 /nfs/dbraw/zinc/74/27/27/382742727.db2.gz CCWZZFNCHWTIDA-GXTWGEPZSA-N 1 1 290.432 2.575 50 0 CFAAMO COCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225455290 382816445 /nfs/dbraw/zinc/81/64/45/382816445.db2.gz TYBPNFXATZZAPD-ZDUSSCGKSA-N 1 1 287.762 2.716 50 0 CFAAMO COCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225455290 382816447 /nfs/dbraw/zinc/81/64/47/382816447.db2.gz TYBPNFXATZZAPD-ZDUSSCGKSA-N 1 1 287.762 2.716 50 0 CFAAMO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC000225469370 382816885 /nfs/dbraw/zinc/81/68/85/382816885.db2.gz AKKGIASRBFCNHM-OAHLLOKOSA-N 1 1 283.799 2.943 50 0 CFAAMO COc1cc(Cl)ccc1C[N@H+]1CCC[C@@](C)(CO)C1 ZINC000225469370 382816887 /nfs/dbraw/zinc/81/68/87/382816887.db2.gz AKKGIASRBFCNHM-OAHLLOKOSA-N 1 1 283.799 2.943 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000229405803 382851533 /nfs/dbraw/zinc/85/15/33/382851533.db2.gz MICYARTYKFLPHK-WMLDXEAASA-N 1 1 295.386 2.647 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000229405821 382851599 /nfs/dbraw/zinc/85/15/99/382851599.db2.gz MICYARTYKFLPHK-RHSMWYFYSA-N 1 1 295.386 2.647 50 0 CFAAMO Cc1cnc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000229837068 382853620 /nfs/dbraw/zinc/85/36/20/382853620.db2.gz BFPYAWIHXQWPTL-ZWKOTPCHSA-N 1 1 297.402 2.873 50 0 CFAAMO C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000230036748 382855463 /nfs/dbraw/zinc/85/54/63/382855463.db2.gz MPICTCIXWJIHQS-KBMXLJTQSA-N 1 1 274.408 2.984 50 0 CFAAMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COC(C)C ZINC000230201139 382857579 /nfs/dbraw/zinc/85/75/79/382857579.db2.gz NBHFSBMZWIEKSW-OCCSQVGLSA-N 1 1 283.437 2.843 50 0 CFAAMO Cc1cc[nH+]c(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000242106171 382984851 /nfs/dbraw/zinc/98/48/51/382984851.db2.gz WHNXJEPKAKOKEL-OAHLLOKOSA-N 1 1 287.407 2.983 50 0 CFAAMO Cc1nc(CCN(C)C[C@@H]2CC[N@@H+](C)C2(C)C)cs1 ZINC000244646879 382989110 /nfs/dbraw/zinc/98/91/10/382989110.db2.gz GQTSUHOVRRIUEJ-ZDUSSCGKSA-N 1 1 281.469 2.656 50 0 CFAAMO CC[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(O)c1 ZINC000244874562 382994559 /nfs/dbraw/zinc/99/45/59/382994559.db2.gz XDEIPPIMCRCYRY-CQSZACIVSA-N 1 1 278.396 2.517 50 0 CFAAMO CC[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(O)c1 ZINC000244874562 382994561 /nfs/dbraw/zinc/99/45/61/382994561.db2.gz XDEIPPIMCRCYRY-CQSZACIVSA-N 1 1 278.396 2.517 50 0 CFAAMO O=C(c1ccccn1)[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000244866586 382994786 /nfs/dbraw/zinc/99/47/86/382994786.db2.gz VYPYKXXQIWFIHW-ZDUSSCGKSA-N 1 1 290.432 2.872 50 0 CFAAMO Cc1ccc(C)c([C@H](O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000245316843 382997491 /nfs/dbraw/zinc/99/74/91/382997491.db2.gz KUQNDSSCFWRYIV-DZGCQCFKSA-N 1 1 265.422 2.774 50 0 CFAAMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245735415 383029737 /nfs/dbraw/zinc/02/97/37/383029737.db2.gz WPCIPBUKEPRQOK-IJEWVQPXSA-N 1 1 270.380 2.922 50 0 CFAAMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000247257766 383156677 /nfs/dbraw/zinc/15/66/77/383156677.db2.gz YXDYIKCNSOZOSZ-RDTXWAMCSA-N 1 1 285.387 2.989 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000248159002 383215912 /nfs/dbraw/zinc/21/59/12/383215912.db2.gz WSMPWDFCLKOMTB-WDEREUQCSA-N 1 1 282.771 2.632 50 0 CFAAMO C[C@H](CC[N@H+]1CCOC[C@]12CCOC2)c1ccccc1 ZINC000249394641 383343804 /nfs/dbraw/zinc/34/38/04/383343804.db2.gz BWWAZDMPKBZJHE-NVXWUHKLSA-N 1 1 275.392 2.672 50 0 CFAAMO Cc1csc2c1ncnc2N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248820015 383293806 /nfs/dbraw/zinc/29/38/06/383293806.db2.gz DXNQDWWBTWMUBJ-LBPRGKRZSA-N 1 1 288.420 2.674 50 0 CFAAMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248827526 383294979 /nfs/dbraw/zinc/29/49/79/383294979.db2.gz GREDNBBARQQPKF-HUUCEWRRSA-N 1 1 275.396 2.775 50 0 CFAAMO C[NH+]1CCN(c2ccc(/C=C/C3CCCCC3)nn2)CC1 ZINC000426428767 383400220 /nfs/dbraw/zinc/40/02/20/383400220.db2.gz KKNQRIBIDHZKAE-BQYQJAHWSA-N 1 1 286.423 2.822 50 0 CFAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1cc(Cl)c[nH]1 ZINC000426471306 383401681 /nfs/dbraw/zinc/40/16/81/383401681.db2.gz DZPGDSWEQKALLK-UHFFFAOYSA-N 1 1 294.786 2.808 50 0 CFAAMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@H]1C ZINC000252512894 383416779 /nfs/dbraw/zinc/41/67/79/383416779.db2.gz WNYJQJFTZIMPJP-MNOVXSKESA-N 1 1 296.802 2.681 50 0 CFAAMO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(Cc1cc3ccccc3o1)C2 ZINC000426698276 383409997 /nfs/dbraw/zinc/40/99/97/383409997.db2.gz OBFDBHHSXUHXIG-YWVIFJGQSA-N 1 1 256.349 2.602 50 0 CFAAMO Clc1ccc(OCCN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252474887 383410611 /nfs/dbraw/zinc/41/06/11/383410611.db2.gz NZZXDNKKRSQUGE-HNNXBMFYSA-N 1 1 294.826 2.889 50 0 CFAAMO CCCCC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C(C)C ZINC000252479130 383410622 /nfs/dbraw/zinc/41/06/22/383410622.db2.gz AZRFWSAFTPMSOV-ZDUSSCGKSA-N 1 1 253.386 2.983 50 0 CFAAMO C[N@@H+](CCCc1cccnc1)C[C@@H]1Cc2ccccc2O1 ZINC000252481473 383410819 /nfs/dbraw/zinc/41/08/19/383410819.db2.gz CMUPOZKKLXZCIF-KRWDZBQOSA-N 1 1 282.387 2.950 50 0 CFAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000252481393 383411523 /nfs/dbraw/zinc/41/15/23/383411523.db2.gz CKJNBFHVKVYIDL-PKOBYXMFSA-N 1 1 297.398 2.903 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000252479594 383411708 /nfs/dbraw/zinc/41/17/08/383411708.db2.gz BIFBNVQUPKGZFM-MRXNPFEDSA-N 1 1 293.842 2.556 50 0 CFAAMO Cc1ccn(CC[N@@H+](Cc2ccc3c(c2)OCO3)C2CC2)n1 ZINC000252489530 383413015 /nfs/dbraw/zinc/41/30/15/383413015.db2.gz JSSBIGXUXUQWAR-UHFFFAOYSA-N 1 1 299.374 2.585 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000249684610 383356020 /nfs/dbraw/zinc/35/60/20/383356020.db2.gz DTVAILRFEDWXBT-UONOGXRCSA-N 1 1 295.814 2.757 50 0 CFAAMO CCN1CC[N@@H+](CCSC(C)(C)C)C[C@H]1c1ncc[nH]1 ZINC000252497968 383414016 /nfs/dbraw/zinc/41/40/16/383414016.db2.gz QSOMFRBIPUENDK-ZDUSSCGKSA-N 1 1 296.484 2.620 50 0 CFAAMO C[N@@H+](CCC(C)(C)O)Cc1ccc2ncccc2c1 ZINC000252500796 383414425 /nfs/dbraw/zinc/41/44/25/383414425.db2.gz TVMNGXXFBOBEBX-UHFFFAOYSA-N 1 1 258.365 2.828 50 0 CFAAMO C[N@@H+](CCCc1ccco1)Cc1[nH]nc2c1CCC2 ZINC000252500805 383414488 /nfs/dbraw/zinc/41/44/88/383414488.db2.gz TVPPHCSBFXXGCX-UHFFFAOYSA-N 1 1 259.353 2.556 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251109602 383385055 /nfs/dbraw/zinc/38/50/55/383385055.db2.gz BVTLXIGKCFSFJA-RRFJBIMHSA-N 1 1 280.456 2.652 50 0 CFAAMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000252855095 383437584 /nfs/dbraw/zinc/43/75/84/383437584.db2.gz HHRFPLDVCCJJKB-KWCYVHTRSA-N 1 1 285.309 2.908 50 0 CFAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@H]1CCCCO1 ZINC000253370080 383451802 /nfs/dbraw/zinc/45/18/02/383451802.db2.gz LSXAPBLFLRGLLG-JJXSEGSLSA-N 1 1 295.423 2.752 50 0 CFAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@@H]1CCCCO1 ZINC000253370081 383452145 /nfs/dbraw/zinc/45/21/45/383452145.db2.gz LSXAPBLFLRGLLG-JONQDZQNSA-N 1 1 295.423 2.752 50 0 CFAAMO CCc1nc(NCc2cn3c(cccc3C)n2)cc(C)[nH+]1 ZINC000253415414 383456245 /nfs/dbraw/zinc/45/62/45/383456245.db2.gz AMHSNVDKTLMLQR-UHFFFAOYSA-N 1 1 281.363 2.916 50 0 CFAAMO COC(=O)CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000253417251 383457425 /nfs/dbraw/zinc/45/74/25/383457425.db2.gz TUEZNEYDQQSEPK-GFCCVEGCSA-N 1 1 253.729 2.650 50 0 CFAAMO COC(=O)CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000253417251 383457431 /nfs/dbraw/zinc/45/74/31/383457431.db2.gz TUEZNEYDQQSEPK-GFCCVEGCSA-N 1 1 253.729 2.650 50 0 CFAAMO O=C1CCCN1CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000253425528 383458267 /nfs/dbraw/zinc/45/82/67/383458267.db2.gz FLQYHCCYMNXOPI-SXSDINLZSA-N 1 1 284.403 2.787 50 0 CFAAMO CCn1nccc1CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000253421261 383459054 /nfs/dbraw/zinc/45/90/54/383459054.db2.gz UCYCLFRXKJEMJG-HNNXBMFYSA-N 1 1 291.420 2.581 50 0 CFAAMO CCn1nccc1CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000253421261 383459057 /nfs/dbraw/zinc/45/90/57/383459057.db2.gz UCYCLFRXKJEMJG-HNNXBMFYSA-N 1 1 291.420 2.581 50 0 CFAAMO CCc1nsc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000253431347 383460130 /nfs/dbraw/zinc/46/01/30/383460130.db2.gz ZRXBKFJISWOBID-WCQYABFASA-N 1 1 292.452 2.554 50 0 CFAAMO C/C=C/C=C\C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000254507295 383468224 /nfs/dbraw/zinc/46/82/24/383468224.db2.gz JIGWMEBXATXHDS-AGIKHLIOSA-N 1 1 270.376 2.509 50 0 CFAAMO C[C@H](C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C)c1ccc(F)cc1 ZINC000252536968 383417971 /nfs/dbraw/zinc/41/79/71/383417971.db2.gz JZVUKUSEOAQEGK-BZPMIXESSA-N 1 1 278.371 2.515 50 0 CFAAMO Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000252536843 383417990 /nfs/dbraw/zinc/41/79/90/383417990.db2.gz JRAKQEOYQIUSKM-HOTGVXAUSA-N 1 1 295.386 2.674 50 0 CFAAMO Cc1ccc(NCc2nc(-c3cnn(C)c3)cs2)[nH+]c1 ZINC000252539716 383418229 /nfs/dbraw/zinc/41/82/29/383418229.db2.gz OKSIXWCMGUKUKC-UHFFFAOYSA-N 1 1 285.376 2.859 50 0 CFAAMO O=C1CC[N@@H+](Cc2cccc(F)c2)CCCCCCN1 ZINC000257179444 383489822 /nfs/dbraw/zinc/48/98/22/383489822.db2.gz ISPAAYBLIHRMKR-UHFFFAOYSA-N 1 1 278.371 2.708 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)C3CCC3)C2)n1C(C)C ZINC000257180511 383491119 /nfs/dbraw/zinc/49/11/19/383491119.db2.gz KWBLIVZZXITMRY-CQSZACIVSA-N 1 1 289.423 2.964 50 0 CFAAMO Cn1cc(CC[N@H+]2CCC[C@@H]2c2cccs2)cn1 ZINC000265447393 383920166 /nfs/dbraw/zinc/92/01/66/383920166.db2.gz SDVIJRGLWQAVJY-CYBMUJFWSA-N 1 1 261.394 2.861 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000280316378 384971783 /nfs/dbraw/zinc/97/17/83/384971783.db2.gz QBVIORNWMHXDDX-DOMZBBRYSA-N 1 1 281.783 2.720 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000280316378 384971795 /nfs/dbraw/zinc/97/17/95/384971795.db2.gz QBVIORNWMHXDDX-DOMZBBRYSA-N 1 1 281.783 2.720 50 0 CFAAMO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC1=CCCOC1 ZINC000289250083 197274345 /nfs/dbraw/zinc/27/43/45/197274345.db2.gz FCZZJMNCHFFFSF-UHFFFAOYSA-N 1 1 299.374 2.558 50 0 CFAAMO C[N@@H+](CCc1cccs1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271901296 385397127 /nfs/dbraw/zinc/39/71/27/385397127.db2.gz GVFKIVFMTIHTFR-HOTGVXAUSA-N 1 1 273.401 2.881 50 0 CFAAMO NC(=O)C[C@@H]1CCCC[N@H+]1CCSc1ccccc1 ZINC000096410315 256767150 /nfs/dbraw/zinc/76/71/50/256767150.db2.gz FTEBATCMKOHTLQ-ZDUSSCGKSA-N 1 1 278.421 2.509 50 0 CFAAMO O=c1[nH]c(=S)[nH]c2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000020131752 285379794 /nfs/dbraw/zinc/37/97/94/285379794.db2.gz HCCPGJHBLZDJHI-UHFFFAOYSA-N 1 1 291.351 2.542 50 0 CFAAMO O=c1[nH]c(=S)[nH]c2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000020131752 285379795 /nfs/dbraw/zinc/37/97/95/285379795.db2.gz HCCPGJHBLZDJHI-UHFFFAOYSA-N 1 1 291.351 2.542 50 0 CFAAMO Cc1nc(C[N@H+]2CCCCC[C@@H]2CCO)cs1 ZINC000342033210 130249998 /nfs/dbraw/zinc/24/99/98/130249998.db2.gz NLXNGKGYSLLHRM-CYBMUJFWSA-N 1 1 254.399 2.579 50 0 CFAAMO COc1cc2c(cc1C[N@@H+](C)C[C@H]1CCOC1)CCC2 ZINC000824616751 781995531 /nfs/dbraw/zinc/99/55/31/781995531.db2.gz YXIILFMGOQXAJF-CYBMUJFWSA-N 1 1 275.392 2.652 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470311 132175861 /nfs/dbraw/zinc/17/58/61/132175861.db2.gz IUVKFZVETVUELB-ZIAGYGMSSA-N 1 1 292.402 2.707 50 0 CFAAMO C[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)[N@H+]1C ZINC000003875690 393455218 /nfs/dbraw/zinc/45/52/18/393455218.db2.gz QSAVEGSLJISCDF-BPLDGKMQSA-N 1 1 291.391 2.525 50 0 in-man CFAAMO COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489653 393474054 /nfs/dbraw/zinc/47/40/54/393474054.db2.gz DAGGEUHIWOTDNG-KCQAQPDRSA-N 1 1 292.423 2.522 50 0 CFAAMO C/C=C/C=C/C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036398066 393525637 /nfs/dbraw/zinc/52/56/37/393525637.db2.gz JIGWMEBXATXHDS-ZVXMMOQOSA-N 1 1 270.376 2.509 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)[C@H](C)CO1 ZINC000045785719 393573362 /nfs/dbraw/zinc/57/33/62/393573362.db2.gz KJJQPHAQWNARPC-CHWSQXEVSA-N 1 1 256.349 2.844 50 0 CFAAMO FC(F)(F)c1ccc2nc([C@H]3CC[NH2+]C3)[nH]c2c1 ZINC000070633530 393639736 /nfs/dbraw/zinc/63/97/36/393639736.db2.gz KSJCWHAZRPOOBL-ZETCQYMHSA-N 1 1 255.243 2.659 50 0 biogenic,in-vitro CFAAMO c1csc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000240244186 393798116 /nfs/dbraw/zinc/79/81/16/393798116.db2.gz DKRIXOQKGBHLAU-NWDGAFQWSA-N 1 1 284.450 2.630 50 0 CFAAMO c1csc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000240244186 393798118 /nfs/dbraw/zinc/79/81/18/393798118.db2.gz DKRIXOQKGBHLAU-NWDGAFQWSA-N 1 1 284.450 2.630 50 0 CFAAMO Cc1ccc(CC[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000096412964 393825161 /nfs/dbraw/zinc/82/51/61/393825161.db2.gz PTPRGERCKKQKJZ-KRWDZBQOSA-N 1 1 286.419 2.624 50 0 CFAAMO Cc1cccc(NC2CC[NH+]([C@@H]3C[C@H](C)OC3=O)CC2)c1 ZINC000096421213 393828227 /nfs/dbraw/zinc/82/82/27/393828227.db2.gz FYKLYBZWWIUIEZ-XJKSGUPXSA-N 1 1 288.391 2.575 50 0 CFAAMO c1ccc(O[C@H]2CC[N@H+](Cc3ccncc3)C2)cc1 ZINC000096424688 393829352 /nfs/dbraw/zinc/82/93/52/393829352.db2.gz VPROFXVMXMFZRW-INIZCTEOSA-N 1 1 254.333 2.735 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000096424234 393829690 /nfs/dbraw/zinc/82/96/90/393829690.db2.gz RNJRTBKRMXFGQN-MRXNPFEDSA-N 1 1 277.408 2.986 50 0 CFAAMO CN(C)C1(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CCCC1 ZINC000097159430 393840317 /nfs/dbraw/zinc/84/03/17/393840317.db2.gz LDQYYFOIGHZXKL-UHFFFAOYSA-N 1 1 278.444 2.671 50 0 CFAAMO CCN(C)c1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252510634 393936959 /nfs/dbraw/zinc/93/69/59/393936959.db2.gz AZAGKHNKHOSHAZ-IRXDYDNUSA-N 1 1 287.451 2.859 50 0 CFAAMO CCN(C)c1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252510634 393936963 /nfs/dbraw/zinc/93/69/63/393936963.db2.gz AZAGKHNKHOSHAZ-IRXDYDNUSA-N 1 1 287.451 2.859 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470301 394004587 /nfs/dbraw/zinc/00/45/87/394004587.db2.gz IUVKFZVETVUELB-KBPBESRZSA-N 1 1 292.402 2.707 50 0 CFAAMO C[C@@H]1CCC[C@@H](OC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000128959528 394079560 /nfs/dbraw/zinc/07/95/60/394079560.db2.gz LZQVCOLQHITPFC-JHJVBQTASA-N 1 1 271.426 2.546 50 0 CFAAMO C[C@@H]1CCC[C@@H](OC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000128959528 394079566 /nfs/dbraw/zinc/07/95/66/394079566.db2.gz LZQVCOLQHITPFC-JHJVBQTASA-N 1 1 271.426 2.546 50 0 CFAAMO COc1cccc(C)c1C(=O)NCCNc1[nH+]cccc1C ZINC000824795670 781997461 /nfs/dbraw/zinc/99/74/61/781997461.db2.gz ONGZIMZQHRZTQW-UHFFFAOYSA-N 1 1 299.374 2.549 50 0 CFAAMO CCc1cccc(C)c1NC(=O)N1CC[NH+](CC)CC1 ZINC000040525508 543050951 /nfs/dbraw/zinc/05/09/51/543050951.db2.gz UCOYEFIFSIJQLU-UHFFFAOYSA-N 1 1 275.396 2.727 50 0 CFAAMO O=C(C1CCC1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000041363995 543056575 /nfs/dbraw/zinc/05/65/75/543056575.db2.gz XICIFXNPISQNIO-UHFFFAOYSA-N 1 1 278.421 2.583 50 0 CFAAMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC000044857389 397570016 /nfs/dbraw/zinc/57/00/16/397570016.db2.gz NZYOCLQFDHWBTQ-OAHLLOKOSA-N 1 1 287.403 2.817 50 0 CFAAMO CC/C=C(\C)C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000047014049 397583918 /nfs/dbraw/zinc/58/39/18/397583918.db2.gz UBBGWXYFVKAMCG-LFYBBSHMSA-N 1 1 284.363 2.548 50 0 CFAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000000757338 397535338 /nfs/dbraw/zinc/53/53/38/397535338.db2.gz OKHWEZROQORQCH-OAHLLOKOSA-N 1 1 260.381 2.507 50 0 CFAAMO Cc1ccc(-c2nc3ccccc3[nH+]c2NN)cc1 ZINC000000553169 397535353 /nfs/dbraw/zinc/53/53/53/397535353.db2.gz BQRXDBJVCLGZGP-UHFFFAOYSA-N 1 1 250.305 2.891 50 0 CFAAMO C[C@H](c1cccnc1)[N@@H+]1CCN(c2nccs2)[C@@H](C)C1 ZINC000108075469 397597818 /nfs/dbraw/zinc/59/78/18/397597818.db2.gz KBDZETBICNYCQR-QWHCGFSZSA-N 1 1 288.420 2.810 50 0 CFAAMO C[C@H](c1cccnc1)[N@H+]1CCN(c2nccs2)[C@@H](C)C1 ZINC000108075469 397597819 /nfs/dbraw/zinc/59/78/19/397597819.db2.gz KBDZETBICNYCQR-QWHCGFSZSA-N 1 1 288.420 2.810 50 0 CFAAMO Cc1cc2c(cc1C[N@@H+]1CC=C(C)CC1)OCCO2 ZINC000215146544 397619065 /nfs/dbraw/zinc/61/90/65/397619065.db2.gz PYVWRBXSNXYAFK-UHFFFAOYSA-N 1 1 259.349 2.918 50 0 CFAAMO Cc1cnn(C)c1C[N@@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000216385380 397620264 /nfs/dbraw/zinc/62/02/64/397620264.db2.gz ISJWQRLCOYYINN-HNNXBMFYSA-N 1 1 277.412 2.510 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C)C ZINC000101824271 292355178 /nfs/dbraw/zinc/35/51/78/292355178.db2.gz LSKOBBMGJQZPPY-GOEBONIOSA-N 1 1 272.392 2.785 50 0 CFAAMO Cn1cncc1C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000376001461 157313535 /nfs/dbraw/zinc/31/35/35/157313535.db2.gz USUYWEJRAMJOMI-KEYYUXOJSA-N 1 1 289.423 2.590 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000004948209 170044454 /nfs/dbraw/zinc/04/44/54/170044454.db2.gz CTBXWKGZTPQJPA-GFCCVEGCSA-N 1 1 273.298 2.910 50 0 CFAAMO C[N@@H+](C[C@@H](O)COc1ccccc1F)C1CCCCC1 ZINC000004993546 170051727 /nfs/dbraw/zinc/05/17/27/170051727.db2.gz WNNCLIQBKNSDEV-CQSZACIVSA-N 1 1 281.371 2.830 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000005524239 170108075 /nfs/dbraw/zinc/10/80/75/170108075.db2.gz AXBWTBDQEIFRII-LZWOXQAQSA-N 1 1 295.398 2.966 50 0 CFAAMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000006055944 170172546 /nfs/dbraw/zinc/17/25/46/170172546.db2.gz GCHIHZIMIPPUGG-HZPDHXFCSA-N 1 1 277.408 2.918 50 0 CFAAMO Cc1[nH+]ccn1C[C@H](O)COc1cc(C)ccc1Cl ZINC000006705505 170230606 /nfs/dbraw/zinc/23/06/06/170230606.db2.gz BJOMKBJPUSFMLY-LBPRGKRZSA-N 1 1 280.755 2.593 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386037 170281905 /nfs/dbraw/zinc/28/19/05/170281905.db2.gz ZTFTWPABVCSKJG-MJBXVCDLSA-N 1 1 260.381 2.992 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000007384085 170282015 /nfs/dbraw/zinc/28/20/15/170282015.db2.gz KYLSLCBHYHRWSX-STQMWFEESA-N 1 1 288.391 2.948 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000007384085 170282017 /nfs/dbraw/zinc/28/20/17/170282017.db2.gz KYLSLCBHYHRWSX-STQMWFEESA-N 1 1 288.391 2.948 50 0 CFAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)cc1OC ZINC000007486604 170287149 /nfs/dbraw/zinc/28/71/49/170287149.db2.gz QVXUWTYGUGJYIC-GFCCVEGCSA-N 1 1 292.379 2.517 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000007781913 170302248 /nfs/dbraw/zinc/30/22/48/170302248.db2.gz NDRMCTFAZOCOEY-UHFFFAOYSA-N 1 1 274.364 2.704 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1 ZINC000008342623 170332356 /nfs/dbraw/zinc/33/23/56/170332356.db2.gz LULGZIAYVGAVAD-ZDUSSCGKSA-N 1 1 281.787 2.946 50 0 CFAAMO CCN1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000020122475 171002837 /nfs/dbraw/zinc/00/28/37/171002837.db2.gz FWBYJMCGXLLPIC-UHFFFAOYSA-N 1 1 271.408 2.784 50 0 CFAAMO c1ccc2cc(OCCCC[NH+]3CCNCC3)ccc2c1 ZINC000020272699 171127264 /nfs/dbraw/zinc/12/72/64/171127264.db2.gz XDFIXKPTFXWCKT-UHFFFAOYSA-N 1 1 284.403 2.904 50 0 CFAAMO CCc1ccc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000020534116 171240542 /nfs/dbraw/zinc/24/05/42/171240542.db2.gz LGMHSZBOUWEOPO-SFHVURJKSA-N 1 1 290.451 2.526 50 0 CFAAMO CCCCNC(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000020582926 171257467 /nfs/dbraw/zinc/25/74/67/171257467.db2.gz QYZMZDUHWUDONB-UHFFFAOYSA-N 1 1 289.423 2.622 50 0 CFAAMO CC[C@H](C)Oc1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000020652662 171268711 /nfs/dbraw/zinc/26/87/11/171268711.db2.gz JROVYETUTVLBOS-HNNXBMFYSA-N 1 1 293.407 2.965 50 0 CFAAMO CC(C)Oc1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020652552 171269140 /nfs/dbraw/zinc/26/91/40/171269140.db2.gz XMYVFSCCOWFUCW-HUUCEWRRSA-N 1 1 293.407 2.962 50 0 CFAAMO c1ccc(SCCCC[NH+]2CCOCC2)cc1 ZINC000020639645 171269223 /nfs/dbraw/zinc/26/92/23/171269223.db2.gz WGORBRVUSBDQKW-UHFFFAOYSA-N 1 1 251.395 2.891 50 0 CFAAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1c(F)cccc1F ZINC000022078393 171352712 /nfs/dbraw/zinc/35/27/12/171352712.db2.gz UNZAXWODHKWUBV-NHYWBVRUSA-N 1 1 266.335 2.633 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)n(C)n1 ZINC000022549328 171390771 /nfs/dbraw/zinc/39/07/71/171390771.db2.gz NFKIZTNEUZZSNZ-HNNXBMFYSA-N 1 1 298.390 2.504 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)n(C)n1 ZINC000022549328 171390773 /nfs/dbraw/zinc/39/07/73/171390773.db2.gz NFKIZTNEUZZSNZ-HNNXBMFYSA-N 1 1 298.390 2.504 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H](C)C1 ZINC000022779605 171398602 /nfs/dbraw/zinc/39/86/02/171398602.db2.gz DJQARZCZCLCJFV-XJKSGUPXSA-N 1 1 261.365 2.949 50 0 CFAAMO Cc1cc(NC(=O)CC[N@H+](C)C2CCCCC2)no1 ZINC000025061903 171448360 /nfs/dbraw/zinc/44/83/60/171448360.db2.gz YJQHFGXCGSPFJA-UHFFFAOYSA-N 1 1 265.357 2.576 50 0 CFAAMO COc1ccc(Cl)cc1C[NH2+]C1CCN(C)CC1 ZINC000035180218 172033383 /nfs/dbraw/zinc/03/33/83/172033383.db2.gz KXUAERRANVGPSS-UHFFFAOYSA-N 1 1 268.788 2.532 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc2c(c1)OCO2 ZINC000035686562 172354132 /nfs/dbraw/zinc/35/41/32/172354132.db2.gz XKFKRJTVXUWDTN-AWEZNQCLSA-N 1 1 290.407 2.769 50 0 CFAAMO C[C@@H]([NH2+]Cc1n[nH]cc1Br)C(C)(C)C(F)F ZINC000657887655 414028288 /nfs/dbraw/zinc/02/82/88/414028288.db2.gz DWAIATQMTJKHAQ-ZCFIWIBFSA-N 1 1 296.159 2.942 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000037213894 173034432 /nfs/dbraw/zinc/03/44/32/173034432.db2.gz XAXNXLBSMDJJLK-AWEZNQCLSA-N 1 1 288.395 2.552 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000037213894 173034435 /nfs/dbraw/zinc/03/44/35/173034435.db2.gz XAXNXLBSMDJJLK-AWEZNQCLSA-N 1 1 288.395 2.552 50 0 CFAAMO COC(=O)[C@H]([NH3+])Cc1ccc(-c2ccc(C(C)=O)cc2)cc1 ZINC000038518559 174143819 /nfs/dbraw/zinc/14/38/19/174143819.db2.gz XBJRQWJZKCTLET-QGZVFWFLSA-N 1 1 297.354 2.599 50 0 CFAAMO CC[C@H](C)NC(=O)C[N@H+](Cc1ccc(C)cc1)C1CC1 ZINC000040071701 174186862 /nfs/dbraw/zinc/18/68/62/174186862.db2.gz REHZKAYJPOAXHB-AWEZNQCLSA-N 1 1 274.408 2.874 50 0 CFAAMO CC[C@H](C)NC(=O)C[N@@H+](Cc1ccc(C)cc1)C1CC1 ZINC000040071701 174186864 /nfs/dbraw/zinc/18/68/64/174186864.db2.gz REHZKAYJPOAXHB-AWEZNQCLSA-N 1 1 274.408 2.874 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000040161801 174196210 /nfs/dbraw/zinc/19/62/10/174196210.db2.gz JOHLZMVBAGHRSW-CQSZACIVSA-N 1 1 264.413 2.725 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000040513775 174306124 /nfs/dbraw/zinc/30/61/24/174306124.db2.gz FKABVJJQFCLMFT-LLVKDONJSA-N 1 1 261.325 2.952 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000045221754 175330655 /nfs/dbraw/zinc/33/06/55/175330655.db2.gz YPYXIMNGQKQNSF-CQSZACIVSA-N 1 1 291.395 2.571 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000045221754 175330656 /nfs/dbraw/zinc/33/06/56/175330656.db2.gz YPYXIMNGQKQNSF-CQSZACIVSA-N 1 1 291.395 2.571 50 0 CFAAMO C[N@H+](CC(=O)NC1CC1)Cc1csc2ccccc12 ZINC000046089586 175392714 /nfs/dbraw/zinc/39/27/14/175392714.db2.gz YQTYATWAMPYPNM-UHFFFAOYSA-N 1 1 274.389 2.612 50 0 CFAAMO C[N@@H+](CC(=O)NC1CC1)Cc1csc2ccccc12 ZINC000046089586 175392715 /nfs/dbraw/zinc/39/27/15/175392715.db2.gz YQTYATWAMPYPNM-UHFFFAOYSA-N 1 1 274.389 2.612 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1Cn1cc(CCc2ccccc2)nn1 ZINC000067919789 175801511 /nfs/dbraw/zinc/80/15/11/175801511.db2.gz DXOVUZJHQHUTTQ-QGZVFWFLSA-N 1 1 284.407 2.548 50 0 CFAAMO CCc1nccc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)n1 ZINC000071759940 176261441 /nfs/dbraw/zinc/26/14/41/176261441.db2.gz FCXWMKHXSQYEDW-ZVCZJPQMSA-N 1 1 271.408 2.907 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000071797103 176265014 /nfs/dbraw/zinc/26/50/14/176265014.db2.gz TVQRFENVPQQYIJ-HNNXBMFYSA-N 1 1 299.374 2.528 50 0 CFAAMO CC(C)(C)C[N@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000071803071 176266327 /nfs/dbraw/zinc/26/63/27/176266327.db2.gz TWWRWGYDBNASAZ-UHFFFAOYSA-N 1 1 283.437 2.579 50 0 CFAAMO CC(C)(C)C[N@@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000071803071 176266329 /nfs/dbraw/zinc/26/63/29/176266329.db2.gz TWWRWGYDBNASAZ-UHFFFAOYSA-N 1 1 283.437 2.579 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000071804912 176267062 /nfs/dbraw/zinc/26/70/62/176267062.db2.gz LUADSEZKTGIBCY-CQSZACIVSA-N 1 1 276.767 2.845 50 0 CFAAMO NC(=O)[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000071824503 176271305 /nfs/dbraw/zinc/27/13/05/176271305.db2.gz DVJPEXISMLUPSG-CVEARBPZSA-N 1 1 284.334 2.629 50 0 CFAAMO Cc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)s1 ZINC000071870419 176282997 /nfs/dbraw/zinc/28/29/97/176282997.db2.gz JLAMTFAVYZQOQM-LSDHHAIUSA-N 1 1 292.448 2.684 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000071876087 176285632 /nfs/dbraw/zinc/28/56/32/176285632.db2.gz RADVWJXBRVDMMO-MRXNPFEDSA-N 1 1 270.380 2.560 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCc1cccs1 ZINC000071880462 176287762 /nfs/dbraw/zinc/28/77/62/176287762.db2.gz MVOGMYJZMQVPMI-CVEARBPZSA-N 1 1 292.448 2.766 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000071910894 176297622 /nfs/dbraw/zinc/29/76/22/176297622.db2.gz HFFRCPGMPGSXHK-KGLIPLIRSA-N 1 1 251.395 2.547 50 0 CFAAMO CC[C@@H](C)C(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000071911415 176298345 /nfs/dbraw/zinc/29/83/45/176298345.db2.gz SGSTZAXJLKAIIC-TZMCWYRMSA-N 1 1 275.396 2.839 50 0 CFAAMO CCO[C@@H](C)c1noc(C[NH+]2CCCCCCC2)n1 ZINC000071914896 176298583 /nfs/dbraw/zinc/29/85/83/176298583.db2.gz LJELSQJPHRATBM-LBPRGKRZSA-N 1 1 267.373 2.933 50 0 CFAAMO CN(Cc1ccco1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072132118 176321479 /nfs/dbraw/zinc/32/14/79/176321479.db2.gz NDZCVZCBBIGJFF-GOEBONIOSA-N 1 1 262.397 2.976 50 0 CFAAMO Cc1ncc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000072273108 176355172 /nfs/dbraw/zinc/35/51/72/176355172.db2.gz XPIIWCUOKANCGI-LLVKDONJSA-N 1 1 262.382 2.554 50 0 CFAAMO COc1cc(C[N@H+]2CCC[C@H](CO)C2)ccc1SC ZINC000072292577 176362563 /nfs/dbraw/zinc/36/25/63/176362563.db2.gz VLKCJYCPBONUFI-ZDUSSCGKSA-N 1 1 281.421 2.621 50 0 CFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000072304811 176366009 /nfs/dbraw/zinc/36/60/09/176366009.db2.gz SKNUOZRFSRYRBX-AWEZNQCLSA-N 1 1 275.396 2.801 50 0 CFAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000072412013 176398997 /nfs/dbraw/zinc/39/89/97/176398997.db2.gz SSRVLMIVISKIII-KRWDZBQOSA-N 1 1 291.435 2.737 50 0 CFAAMO Cc1nc(C[NH+]2CCC(c3ccncc3)CC2)co1 ZINC000072431394 176402736 /nfs/dbraw/zinc/40/27/36/176402736.db2.gz QAKLYMIIRFPNKO-UHFFFAOYSA-N 1 1 257.337 2.758 50 0 CFAAMO c1cc(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)cs1 ZINC000077319726 177251613 /nfs/dbraw/zinc/25/16/13/177251613.db2.gz OFRSLNMWKUAHLF-INIZCTEOSA-N 1 1 294.464 2.825 50 0 CFAAMO COCCC[C@@H]1CCCC[N@H+]1Cc1nc(C)cc(C)n1 ZINC000077405998 177263769 /nfs/dbraw/zinc/26/37/69/177263769.db2.gz JSDRQYLYCJDNMU-HNNXBMFYSA-N 1 1 277.412 2.875 50 0 CFAAMO CC[C@H]1COCC[N@@H+]1C/C=C/c1ccc(OC)cc1 ZINC000077456880 177271455 /nfs/dbraw/zinc/27/14/55/177271455.db2.gz ALUFXUQQHURQAN-RGDDUWESSA-N 1 1 261.365 2.819 50 0 CFAAMO CC[C@H]1COCC[N@H+]1C/C=C/c1ccc(OC)cc1 ZINC000077456880 177271456 /nfs/dbraw/zinc/27/14/56/177271456.db2.gz ALUFXUQQHURQAN-RGDDUWESSA-N 1 1 261.365 2.819 50 0 CFAAMO Cc1oc(-c2ccco2)nc1C[N@H+](C[C@H](C)O)C(C)C ZINC000078551501 177353248 /nfs/dbraw/zinc/35/32/48/177353248.db2.gz SGKWYRQEFLRSNU-NSHDSACASA-N 1 1 278.352 2.834 50 0 CFAAMO CN(C)CCC[NH2+]Cc1cc(Br)cs1 ZINC000020306024 260118131 /nfs/dbraw/zinc/11/81/31/260118131.db2.gz VXVLMXKXIDGGCH-UHFFFAOYSA-N 1 1 277.231 2.552 50 0 CFAAMO Cc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026219685 260131249 /nfs/dbraw/zinc/13/12/49/260131249.db2.gz RVGMFEAMNLIFLD-CJNGLKHVSA-N 1 1 268.360 2.872 50 0 CFAAMO Nc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1N ZINC000000494066 274965585 /nfs/dbraw/zinc/96/55/85/274965585.db2.gz WXQOHYIZALVTPS-UHFFFAOYSA-N 1 1 250.305 2.513 50 0 CFAAMO c1ccc2c(c1)[nH]c1c2CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000244795116 275070959 /nfs/dbraw/zinc/07/09/59/275070959.db2.gz QZUCOZFGMGLIPB-LBPRGKRZSA-N 1 1 256.349 2.563 50 0 CFAAMO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000225516209 276180718 /nfs/dbraw/zinc/18/07/18/276180718.db2.gz QFVUVBKRHQVZGU-RCCFBDPRSA-N 1 1 293.499 2.594 50 0 CFAAMO Fc1cc(Br)ccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000012243803 279457722 /nfs/dbraw/zinc/45/77/22/279457722.db2.gz KNINEJFEMKSAON-NSHDSACASA-N 1 1 296.143 2.546 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000058162326 280247598 /nfs/dbraw/zinc/24/75/98/280247598.db2.gz XUUHWBJKVBJCFR-RRFJBIMHSA-N 1 1 266.429 2.946 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC000058015412 281051228 /nfs/dbraw/zinc/05/12/28/281051228.db2.gz MPZGNOXKZSPKDZ-AWEZNQCLSA-N 1 1 252.402 2.509 50 0 CFAAMO Cc1nc([C@H](C)Nc2nc(N(C)C)c(C)c[nH+]2)cs1 ZINC000065500716 281999598 /nfs/dbraw/zinc/99/95/98/281999598.db2.gz DCLKOISKKKFGLH-VIFPVBQESA-N 1 1 277.397 2.789 50 0 CFAAMO C[C@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)[NH+]1CCSCC1 ZINC000089922328 289325086 /nfs/dbraw/zinc/32/50/86/289325086.db2.gz LVCQIEQWKCOTGW-TUVASFSCSA-N 1 1 296.480 2.603 50 0 CFAAMO CN(C)c1ccc(NC(=O)C[NH+]2CCCCC2)cc1Cl ZINC000828047873 782066625 /nfs/dbraw/zinc/06/66/25/782066625.db2.gz WEANQVQAYAJHTL-UHFFFAOYSA-N 1 1 295.814 2.830 50 0 CFAAMO C[C@@H](CN1CCCCCC1)[NH2+]Cc1cccc(CO)c1 ZINC000534576660 328310086 /nfs/dbraw/zinc/31/00/86/328310086.db2.gz GLKAVJGJBFEPSO-HNNXBMFYSA-N 1 1 276.424 2.533 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)[C@H]2CCOC(C)(C)C2)CCCC1 ZINC000534581029 328311661 /nfs/dbraw/zinc/31/16/61/328311661.db2.gz DXOUNPCESHMLSU-AWEZNQCLSA-N 1 1 296.455 2.572 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)c2cc(O)ccc2F)CCCC1 ZINC000534676264 328351800 /nfs/dbraw/zinc/35/18/00/328351800.db2.gz NYGSHRAZPXJPPJ-UHFFFAOYSA-N 1 1 294.370 2.526 50 0 CFAAMO CCOc1ccc2ccccc2c1C(=O)N1CC[NH+](C)CC1 ZINC000013329282 326839700 /nfs/dbraw/zinc/83/97/00/326839700.db2.gz YLJYSBFCTMMVLF-UHFFFAOYSA-N 1 1 298.386 2.626 50 0 CFAAMO CC(C)(C)[C@@H]1CCC[N@@H+](CCCS(C)(=O)=O)CC1 ZINC000071909412 327106320 /nfs/dbraw/zinc/10/63/20/327106320.db2.gz HNZZWHREUHORIQ-CYBMUJFWSA-N 1 1 275.458 2.569 50 0 CFAAMO CC(C)CCNC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095352514 327202548 /nfs/dbraw/zinc/20/25/48/327202548.db2.gz IEKPWPAQIYLZAX-AWEZNQCLSA-N 1 1 266.360 2.591 50 0 CFAAMO Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)oc1C ZINC000098016024 534366989 /nfs/dbraw/zinc/36/69/89/534366989.db2.gz RYKKQJISXADTGH-CABCVRRESA-N 1 1 277.412 2.739 50 0 CFAAMO Cc1ccc2cc(CNCC(C)(C)[NH+](C)C)ccc2n1 ZINC000097861313 534469061 /nfs/dbraw/zinc/46/90/61/534469061.db2.gz NAAXQKPNYUUWOT-UHFFFAOYSA-N 1 1 271.408 2.973 50 0 CFAAMO c1csc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000096501823 534518565 /nfs/dbraw/zinc/51/85/65/534518565.db2.gz RQNUHWYJRQQXGS-SECBINFHSA-N 1 1 272.333 2.725 50 0 CFAAMO CCC[N@@H+](CCOC)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067983447 521669297 /nfs/dbraw/zinc/66/92/97/521669297.db2.gz YYXILEQFFIXXQV-UHFFFAOYSA-N 1 1 292.354 2.526 50 0 CFAAMO Cc1sc(NC(=O)C[NH+]2CCCC2)c(C)c1C ZINC000098015844 534608061 /nfs/dbraw/zinc/60/80/61/534608061.db2.gz UEGJZPQWFIAUMG-UHFFFAOYSA-N 1 1 252.383 2.708 50 0 CFAAMO Cc1cccc(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000016663044 524381599 /nfs/dbraw/zinc/38/15/99/524381599.db2.gz AXVURNBXWKLDHR-UHFFFAOYSA-N 1 1 255.361 2.990 50 0 CFAAMO O[C@]12CCCC[C@H]1C[N@@H+](CCOc1ccc(F)cc1)CC2 ZINC000220380987 526322037 /nfs/dbraw/zinc/32/20/37/526322037.db2.gz JLBIUZBLHHQJOL-YOEHRIQHSA-N 1 1 293.382 2.832 50 0 CFAAMO CC(C)(C)c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)[nH]n1 ZINC000097819514 526754593 /nfs/dbraw/zinc/75/45/93/526754593.db2.gz GYAYGEJVQJVTID-UHFFFAOYSA-N 1 1 287.411 2.810 50 0 CFAAMO CCOCC[N@H+]1CCN([C@H](C)c2cccnc2)C[C@H]1CC ZINC000252474811 535607654 /nfs/dbraw/zinc/60/76/54/535607654.db2.gz MSLCFPUXBGDRFS-NVXWUHKLSA-N 1 1 291.439 2.575 50 0 CFAAMO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000239672509 570355121 /nfs/dbraw/zinc/35/51/21/570355121.db2.gz BTNIYVUXEIFSGC-RBSFLKMASA-N 1 1 295.471 2.985 50 0 CFAAMO CC[C@@H](C(=O)NCc1ccc(C)cc1C)[N@@H+](C)CC ZINC000952964177 615382262 /nfs/dbraw/zinc/38/22/62/615382262.db2.gz MZHNGNHFPPRGCH-HNNXBMFYSA-N 1 1 262.397 2.650 50 0 CFAAMO COc1ccc(CC[N@@H+](C)Cc2ccoc2)cc1OC ZINC000023115242 618117402 /nfs/dbraw/zinc/11/74/02/618117402.db2.gz XUVAYIZNMCDGMR-UHFFFAOYSA-N 1 1 275.348 2.971 50 0 CFAAMO CCc1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000156815266 618153005 /nfs/dbraw/zinc/15/30/05/618153005.db2.gz FSACVWVKNMGHGJ-AWEZNQCLSA-N 1 1 294.464 2.607 50 0 CFAAMO CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)s1 ZINC000156815266 618153007 /nfs/dbraw/zinc/15/30/07/618153007.db2.gz FSACVWVKNMGHGJ-AWEZNQCLSA-N 1 1 294.464 2.607 50 0 CFAAMO CC(C)CO[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000091964246 618327987 /nfs/dbraw/zinc/32/79/87/618327987.db2.gz KRUYLBVWSCULDK-AWEZNQCLSA-N 1 1 277.364 2.662 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCc3nnc(C(C)C)n3CC2)cc1 ZINC000019744515 618791588 /nfs/dbraw/zinc/79/15/88/618791588.db2.gz SUCBWOQKVZOGBF-UHFFFAOYSA-N 1 1 284.407 2.768 50 0 CFAAMO c1cc([C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)n[nH]1 ZINC000020541144 618806417 /nfs/dbraw/zinc/80/64/17/618806417.db2.gz OBADPGZLYUYHJL-GFCCVEGCSA-N 1 1 299.403 2.794 50 0 CFAAMO Cc1c2ccccc2oc1C[N@H+](C)[C@H]1CCN(C)C1 ZINC000230574816 619167094 /nfs/dbraw/zinc/16/70/94/619167094.db2.gz ORFRXHQPLGSOSZ-ZDUSSCGKSA-N 1 1 258.365 2.877 50 0 CFAAMO Cc1c2ccccc2oc1CN(C)[C@H]1CC[N@H+](C)C1 ZINC000230574816 619167097 /nfs/dbraw/zinc/16/70/97/619167097.db2.gz ORFRXHQPLGSOSZ-ZDUSSCGKSA-N 1 1 258.365 2.877 50 0 CFAAMO Cc1c2ccccc2oc1CN(C)[C@H]1CC[N@@H+](C)C1 ZINC000230574816 619167100 /nfs/dbraw/zinc/16/71/00/619167100.db2.gz ORFRXHQPLGSOSZ-ZDUSSCGKSA-N 1 1 258.365 2.877 50 0 CFAAMO Cc1cnccc1C[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000216023286 645987195 /nfs/dbraw/zinc/98/71/95/645987195.db2.gz ZBVSGNASEDVVOT-UHFFFAOYSA-N 1 1 258.369 2.799 50 0 CFAAMO Cc1cnccc1C[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000216023286 645987198 /nfs/dbraw/zinc/98/71/98/645987198.db2.gz ZBVSGNASEDVVOT-UHFFFAOYSA-N 1 1 258.369 2.799 50 0 CFAAMO CCN(CC)c1ncccc1C[NH2+]Cc1cccc(C)n1 ZINC000015067660 651184603 /nfs/dbraw/zinc/18/46/03/651184603.db2.gz BUHYCSJMOHZZPF-UHFFFAOYSA-N 1 1 284.407 2.921 50 0 CFAAMO CCCO[C@H]1CCCN(C[C@@H]2CCCCC[N@H+]2C)C1 ZINC000019884783 651294842 /nfs/dbraw/zinc/29/48/42/651294842.db2.gz GRQMHXSSAHAFDW-HOTGVXAUSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@H]1CCC[N@H+](C[C@@H]2CCCCCN2C)C1 ZINC000019884783 651294845 /nfs/dbraw/zinc/29/48/45/651294845.db2.gz GRQMHXSSAHAFDW-HOTGVXAUSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](C[C@@H]2CCCCCN2C)C1 ZINC000019884783 651294847 /nfs/dbraw/zinc/29/48/47/651294847.db2.gz GRQMHXSSAHAFDW-HOTGVXAUSA-N 1 1 268.445 2.752 50 0 CFAAMO c1cnn(CCC[N@H+]2CCO[C@@H](CC3CCCCC3)C2)c1 ZINC000020999903 651302697 /nfs/dbraw/zinc/30/26/97/651302697.db2.gz MTYYUSFKNCGMCR-KRWDZBQOSA-N 1 1 291.439 2.944 50 0 CFAAMO Cc1cc(C[N@H+](C)Cc2nc3ccccc3[nH]2)c(=O)[nH]c1C ZINC000023582049 775487762 /nfs/dbraw/zinc/48/77/62/775487762.db2.gz ONXRNXCTHLOKRV-UHFFFAOYSA-N 1 1 296.374 2.500 50 0 CFAAMO Cc1cc(C[N@@H+](C)Cc2nc3ccccc3[nH]2)c(=O)[nH]c1C ZINC000023582049 775487770 /nfs/dbraw/zinc/48/77/70/775487770.db2.gz ONXRNXCTHLOKRV-UHFFFAOYSA-N 1 1 296.374 2.500 50 0 CFAAMO C[C@@H]1C[N@@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@H]1C ZINC000585116723 776865566 /nfs/dbraw/zinc/86/55/66/776865566.db2.gz GXNVFGXMJMOZLS-DVZHBHJUSA-N 1 1 280.412 2.584 50 0 CFAAMO COC(=O)[C@](C)([NH3+])C(c1ccccc1)c1ccccc1 ZINC000095914972 185031079 /nfs/dbraw/zinc/03/10/79/185031079.db2.gz HPBPTLCJOFTQLD-QGZVFWFLSA-N 1 1 269.344 2.709 50 0 CFAAMO CCC[C@@H](O)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000036102881 260153812 /nfs/dbraw/zinc/15/38/12/260153812.db2.gz OYTYZLSRPQUSMO-OAHLLOKOSA-N 1 1 263.381 2.821 50 0 CFAAMO CC[C@@H]([NH2+]CC(=O)N(C)C)c1ccccc1Br ZINC000095985893 185056350 /nfs/dbraw/zinc/05/63/50/185056350.db2.gz UCJIMRNJENGHIB-GFCCVEGCSA-N 1 1 299.212 2.578 50 0 CFAAMO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)[C@H]1COc2ccccc21 ZINC000096014152 185066757 /nfs/dbraw/zinc/06/67/57/185066757.db2.gz FBCCLVBEZZINRW-ZWNOBZJWSA-N 1 1 285.347 2.601 50 0 CFAAMO CCC[C@@H](C[N@H+]1CCCN(C(N)=O)CC1)c1ccccc1 ZINC000097033899 185156360 /nfs/dbraw/zinc/15/63/60/185156360.db2.gz SNMUUNNTMFQFKR-INIZCTEOSA-N 1 1 289.423 2.657 50 0 CFAAMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C1CCN(C(C)C)CC1 ZINC000095422592 282169398 /nfs/dbraw/zinc/16/93/98/282169398.db2.gz CIZSUVQESQNNCF-KRWDZBQOSA-N 1 1 288.439 2.625 50 0 CFAAMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000069871587 346902406 /nfs/dbraw/zinc/90/24/06/346902406.db2.gz LPOAFEQVQDGDGF-GFCCVEGCSA-N 1 1 284.306 2.711 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000069871587 346902408 /nfs/dbraw/zinc/90/24/08/346902408.db2.gz LPOAFEQVQDGDGF-GFCCVEGCSA-N 1 1 284.306 2.711 50 0 CFAAMO CCc1ccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000220617894 529598029 /nfs/dbraw/zinc/59/80/29/529598029.db2.gz GYHQZDGKFOZRPB-QGZVFWFLSA-N 1 1 297.402 2.706 50 0 CFAAMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000220617894 529598031 /nfs/dbraw/zinc/59/80/31/529598031.db2.gz GYHQZDGKFOZRPB-QGZVFWFLSA-N 1 1 297.402 2.706 50 0 CFAAMO C[N@@H+](CCN1CCOC1=O)CC12CC3CC(CC(C3)C1)C2 ZINC000074157705 346999711 /nfs/dbraw/zinc/99/97/11/346999711.db2.gz HSOGENKMPRESMI-UHFFFAOYSA-N 1 1 292.423 2.587 50 0 CFAAMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000096496710 282319501 /nfs/dbraw/zinc/31/95/01/282319501.db2.gz CENVOLOKDBVQLR-GXTWGEPZSA-N 1 1 294.468 2.937 50 0 CFAAMO C[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@H](C)O1 ZINC000075105636 347055919 /nfs/dbraw/zinc/05/59/19/347055919.db2.gz WZIGEJSGNLISCY-GASCZTMLSA-N 1 1 285.391 2.659 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1c[nH]nc1-c1cccnc1 ZINC000170594886 539469802 /nfs/dbraw/zinc/46/98/02/539469802.db2.gz KBKFRPKXJJZVJF-UHFFFAOYSA-N 1 1 293.374 2.541 50 0 CFAAMO CN(C)C(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000003921196 346209662 /nfs/dbraw/zinc/20/96/62/346209662.db2.gz NAYPPFLITBUMJO-UHFFFAOYSA-N 1 1 284.319 2.930 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)cc2)on1 ZINC000011248965 346229297 /nfs/dbraw/zinc/22/92/97/346229297.db2.gz QWKGKLNRPXQMGP-CYBMUJFWSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)on1 ZINC000011248965 346229302 /nfs/dbraw/zinc/22/93/02/346229302.db2.gz QWKGKLNRPXQMGP-CYBMUJFWSA-N 1 1 287.363 2.750 50 0 CFAAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078342 346247524 /nfs/dbraw/zinc/24/75/24/346247524.db2.gz DTUDASASKRVRRY-JQWIXIFHSA-N 1 1 299.212 2.711 50 0 CFAAMO COc1ccccc1[C@@H]1CC[N@@H+](CCCc2cn[nH]c2)C1 ZINC000078950171 347280929 /nfs/dbraw/zinc/28/09/29/347280929.db2.gz XTXSMLLKGFXORG-OAHLLOKOSA-N 1 1 285.391 2.840 50 0 CFAAMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2nccn2C)cc1 ZINC000086279435 179262921 /nfs/dbraw/zinc/26/29/21/179262921.db2.gz YDPQVJPFZFQMFT-ZDUSSCGKSA-N 1 1 295.390 2.765 50 0 CFAAMO COCCC1(c2nc([C@@H]3CCCCC[NH2+]3)no2)CCC1 ZINC000096001542 347699691 /nfs/dbraw/zinc/69/96/91/347699691.db2.gz UYTCVQAPYIZNNO-LBPRGKRZSA-N 1 1 279.384 2.733 50 0 CFAAMO CCOC(C[N@H+]1CCc2ccsc2C1)OCC ZINC000097094920 347706784 /nfs/dbraw/zinc/70/67/84/347706784.db2.gz RQIRQWTZUIVTFN-UHFFFAOYSA-N 1 1 255.383 2.505 50 0 CFAAMO CC(C)Cn1nccc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000097231963 347707971 /nfs/dbraw/zinc/70/79/71/347707971.db2.gz QRFMJNXCCSCJFW-OLZOCXBDSA-N 1 1 262.401 2.576 50 0 CFAAMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000097235478 347708008 /nfs/dbraw/zinc/70/80/08/347708008.db2.gz UGPIGCIOZUWLTP-AWEZNQCLSA-N 1 1 291.391 2.803 50 0 CFAAMO CC(C)N1CCC([NH2+][C@H](C)C[C@H](O)c2ccco2)CC1 ZINC000097238265 347708670 /nfs/dbraw/zinc/70/86/70/347708670.db2.gz WJNLRSDGVACJSB-HIFRSBDPSA-N 1 1 280.412 2.554 50 0 CFAAMO CCc1nn(C)cc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000097375295 347709237 /nfs/dbraw/zinc/70/92/37/347709237.db2.gz RZPKDQZXBPXREP-GFCCVEGCSA-N 1 1 258.369 2.571 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000097375295 347709239 /nfs/dbraw/zinc/70/92/39/347709239.db2.gz RZPKDQZXBPXREP-GFCCVEGCSA-N 1 1 258.369 2.571 50 0 CFAAMO COc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)cn1 ZINC000120642057 347807578 /nfs/dbraw/zinc/80/75/78/347807578.db2.gz HVHWQGMSNABTOR-GFCCVEGCSA-N 1 1 296.374 2.828 50 0 CFAAMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000170604356 348055671 /nfs/dbraw/zinc/05/56/71/348055671.db2.gz IXDURIQYAZEGOS-YOFIQYCBSA-N 1 1 269.454 2.822 50 0 CFAAMO Nc1cc(Oc2ncc(Br)cc2F)cc[nH+]1 ZINC000217823593 348165847 /nfs/dbraw/zinc/16/58/47/348165847.db2.gz AFWSSJQSHOWSRV-UHFFFAOYSA-N 1 1 284.088 2.753 50 0 CFAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)CCC(F)(F)F ZINC000584893713 348730072 /nfs/dbraw/zinc/73/00/72/348730072.db2.gz RXFLETBHTOPSRZ-UHFFFAOYSA-N 1 1 280.334 2.662 50 0 CFAAMO C[N@@H+](Cc1c(F)cccc1F)C[C@H]1CCC[C@H]1O ZINC000271266785 191038814 /nfs/dbraw/zinc/03/88/14/191038814.db2.gz MCHXOEMBHLMJIY-QMTHXVAHSA-N 1 1 255.308 2.558 50 0 CFAAMO C[N@H+](Cc1c(F)cccc1F)C[C@H]1CCC[C@H]1O ZINC000271266785 191038815 /nfs/dbraw/zinc/03/88/15/191038815.db2.gz MCHXOEMBHLMJIY-QMTHXVAHSA-N 1 1 255.308 2.558 50 0 CFAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc3occc3c1)C2 ZINC000091320864 180133955 /nfs/dbraw/zinc/13/39/55/180133955.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 1 1 270.376 2.959 50 0 CFAAMO CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3occc3c1)C2 ZINC000091320864 180133956 /nfs/dbraw/zinc/13/39/56/180133956.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 1 1 270.376 2.959 50 0 CFAAMO CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC000091320864 180133957 /nfs/dbraw/zinc/13/39/57/180133957.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 1 1 270.376 2.959 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)CCc2ccsc2)C1 ZINC000091270333 180118026 /nfs/dbraw/zinc/11/80/26/180118026.db2.gz WBXPQWQRQWOFDG-ZDUSSCGKSA-N 1 1 292.448 2.766 50 0 CFAAMO O=S(=O)(CCNc1cc[nH+]cc1Cl)c1ccccc1 ZINC000091460305 180161417 /nfs/dbraw/zinc/16/14/17/180161417.db2.gz ZOAWTTUNLMQASF-UHFFFAOYSA-N 1 1 296.779 2.621 50 0 CFAAMO O=C1CC[C@@]2(CCC[N@H+](CCCCCF)C2)CN1C1CC1 ZINC000091476749 180166309 /nfs/dbraw/zinc/16/63/09/180166309.db2.gz TZZMIISUHALAND-QGZVFWFLSA-N 1 1 296.430 2.993 50 0 CFAAMO Cc1nnc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)[nH]1 ZINC000091494255 180171334 /nfs/dbraw/zinc/17/13/34/180171334.db2.gz FDJHSRDTGIEXHF-INIZCTEOSA-N 1 1 270.380 2.667 50 0 CFAAMO Cc1nnc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)[nH]1 ZINC000091494255 180171336 /nfs/dbraw/zinc/17/13/36/180171336.db2.gz FDJHSRDTGIEXHF-INIZCTEOSA-N 1 1 270.380 2.667 50 0 CFAAMO c1ccc(C[N@@H+]2CC[C@H](CCNc3ncccn3)C2)cc1 ZINC000091636443 180211424 /nfs/dbraw/zinc/21/14/24/180211424.db2.gz GHULXZJSYCXMJS-INIZCTEOSA-N 1 1 282.391 2.801 50 0 CFAAMO Cc1ncnc(NCCC[N@H+](C)C2CCCC2)c1C ZINC000091664887 180221142 /nfs/dbraw/zinc/22/11/42/180221142.db2.gz CXTGCXOAZBYEFM-UHFFFAOYSA-N 1 1 262.401 2.770 50 0 CFAAMO Cc1cccc([C@@H](Nc2nc(N)[nH+]cc2C)C2CC2)n1 ZINC000091680237 180226698 /nfs/dbraw/zinc/22/66/98/180226698.db2.gz HFDOVCAZMGPNHM-ZDUSSCGKSA-N 1 1 269.352 2.634 50 0 CFAAMO Cc1nc(NCCCOc2cccnc2)c(C)c(C)[nH+]1 ZINC000091708098 180231017 /nfs/dbraw/zinc/23/10/17/180231017.db2.gz KSHSBJDHKTUMOI-UHFFFAOYSA-N 1 1 272.352 2.678 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OC(F)F)C2 ZINC000091768849 180248992 /nfs/dbraw/zinc/24/89/92/180248992.db2.gz JDSWPPRVMAXXAK-GXTWGEPZSA-N 1 1 296.361 2.814 50 0 CFAAMO CC(C)c1cc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)on1 ZINC000091738508 180244346 /nfs/dbraw/zinc/24/43/46/180244346.db2.gz SIJMXOLUAIKLFM-HNNXBMFYSA-N 1 1 266.385 2.781 50 0 CFAAMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000091859051 180275219 /nfs/dbraw/zinc/27/52/19/180275219.db2.gz SWDKHLWCGYKQBT-MRXNPFEDSA-N 1 1 281.371 2.819 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000091960969 180292635 /nfs/dbraw/zinc/29/26/35/180292635.db2.gz YNSNXIOEDSJHRC-DGCLKSJQSA-N 1 1 276.409 2.731 50 0 CFAAMO COc1cc(F)c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(F)c1 ZINC000092022011 180307669 /nfs/dbraw/zinc/30/76/69/180307669.db2.gz DIMPAELGPZUPOF-BMIGLBTASA-N 1 1 285.334 2.566 50 0 CFAAMO COc1cc(F)c(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c(F)c1 ZINC000092022011 180307673 /nfs/dbraw/zinc/30/76/73/180307673.db2.gz DIMPAELGPZUPOF-BMIGLBTASA-N 1 1 285.334 2.566 50 0 CFAAMO Cc1nnc(NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000092106974 180326252 /nfs/dbraw/zinc/32/62/52/180326252.db2.gz IRLTYNLBEDQAIC-OAHLLOKOSA-N 1 1 286.379 2.670 50 0 CFAAMO CS[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106135172 186104145 /nfs/dbraw/zinc/10/41/45/186104145.db2.gz ZPBLWIULTWRPQZ-UMVBOHGHSA-N 1 1 292.448 2.690 50 0 CFAAMO Cc1ccc(N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)nn1 ZINC000106947772 186154961 /nfs/dbraw/zinc/15/49/61/186154961.db2.gz FLLHJUNGTRFGRA-MRXNPFEDSA-N 1 1 288.439 2.732 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC000092510809 180398989 /nfs/dbraw/zinc/39/89/89/180398989.db2.gz NAFORWHDHGBEMC-CYBMUJFWSA-N 1 1 266.410 2.581 50 0 CFAAMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@]2(CCOC2)O1 ZINC000606441095 351270286 /nfs/dbraw/zinc/27/02/86/351270286.db2.gz DWSRFXOTNHZXJG-CUGXLUPKSA-N 1 1 273.376 2.580 50 0 CFAAMO C[C@H]1CCN(C(=O)C[NH+]2CCCC2)c2ccccc2S1 ZINC000048419155 539935855 /nfs/dbraw/zinc/93/58/55/539935855.db2.gz VHWICAPZOTVHIF-ZDUSSCGKSA-N 1 1 290.432 3.000 50 0 CFAAMO Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000245339293 539978701 /nfs/dbraw/zinc/97/87/01/539978701.db2.gz RTRGTKAPYXMOEE-XIRDDKMYSA-N 1 1 299.418 2.943 50 0 CFAAMO Cc1cccc(N[C@@H](C)C(=O)N2CCCC[C@H]2C)[nH+]1 ZINC000157361908 188312865 /nfs/dbraw/zinc/31/28/65/188312865.db2.gz QZOCZWUHMPESQS-OLZOCXBDSA-N 1 1 261.369 2.591 50 0 CFAAMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nc1 ZINC000083704998 540183563 /nfs/dbraw/zinc/18/35/63/540183563.db2.gz CKKCVODFYGOXNA-GXTWGEPZSA-N 1 1 279.815 2.794 50 0 CFAAMO CNC(=O)C[N@@H+](Cc1ccc(C)s1)C1CCCC1 ZINC000244899365 283313475 /nfs/dbraw/zinc/31/34/75/283313475.db2.gz ZIPTXLWMNKSLHU-UHFFFAOYSA-N 1 1 266.410 2.547 50 0 CFAAMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000089929864 540719936 /nfs/dbraw/zinc/71/99/36/540719936.db2.gz UBQBIQAGCWLRGA-ZDUSSCGKSA-N 1 1 290.382 2.915 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000180285461 189248312 /nfs/dbraw/zinc/24/83/12/189248312.db2.gz ZLCDMMUNBFIZSD-AWEZNQCLSA-N 1 1 288.370 2.638 50 0 CFAAMO Cc1n[nH]c2c1C[N@@H+](Cc1cccc3ncccc13)CC2 ZINC000670433906 540992569 /nfs/dbraw/zinc/99/25/69/540992569.db2.gz NOFJVHNMIVDRML-UHFFFAOYSA-N 1 1 278.359 2.825 50 0 CFAAMO COc1c(F)cccc1CN1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000670440527 540995872 /nfs/dbraw/zinc/99/58/72/540995872.db2.gz MQGGNQBDOGLHLO-ZFWWWQNUSA-N 1 1 292.398 2.750 50 0 CFAAMO Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CCSC3)nc21 ZINC000670441771 540996215 /nfs/dbraw/zinc/99/62/15/540996215.db2.gz LYEOYUHBHJFJOU-NSHDSACASA-N 1 1 261.394 2.809 50 0 CFAAMO Cc1cccc2nc(C[N@@H+](C)[C@H]3CCSC3)[nH]c21 ZINC000670441771 540996220 /nfs/dbraw/zinc/99/62/20/540996220.db2.gz LYEOYUHBHJFJOU-NSHDSACASA-N 1 1 261.394 2.809 50 0 CFAAMO Cc1cccc2nc(C[N@H+](C)[C@H]3CCSC3)[nH]c21 ZINC000670441771 540996222 /nfs/dbraw/zinc/99/62/22/540996222.db2.gz LYEOYUHBHJFJOU-NSHDSACASA-N 1 1 261.394 2.809 50 0 CFAAMO Cc1cccnc1C[C@@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000670441774 540996327 /nfs/dbraw/zinc/99/63/27/540996327.db2.gz YCNMQDLHFZVHJP-LLVKDONJSA-N 1 1 267.336 2.704 50 0 CFAAMO COCC[C@@H]1CCC[N@@H+](CCCn2cccc2)C1 ZINC000670449740 540998643 /nfs/dbraw/zinc/99/86/43/540998643.db2.gz WXQOZCANFBJADY-HNNXBMFYSA-N 1 1 250.386 2.627 50 0 CFAAMO CCc1[nH+]ccn1CCCNC(=O)[C@H]1CCc2ccccc21 ZINC000670456695 541001765 /nfs/dbraw/zinc/00/17/65/541001765.db2.gz PMVQGRFXXRNPEP-INIZCTEOSA-N 1 1 297.402 2.682 50 0 CFAAMO CCCc1cc(N2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)nc(C)n1 ZINC000670463445 541005183 /nfs/dbraw/zinc/00/51/83/541005183.db2.gz SXRSDTKQTJWHHD-HOCLYGCPSA-N 1 1 288.439 2.658 50 0 CFAAMO CC(C)Oc1ccccc1OCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000670465638 541006335 /nfs/dbraw/zinc/00/63/35/541006335.db2.gz GDEFRVRVXDDVFD-HNNXBMFYSA-N 1 1 293.407 2.821 50 0 CFAAMO C[N@@H+](CC[C@H](O)c1ccccc1)CCC1(O)CCCC1 ZINC000670471760 541010215 /nfs/dbraw/zinc/01/02/15/541010215.db2.gz OAOSXJLKYGWBMT-INIZCTEOSA-N 1 1 277.408 2.737 50 0 CFAAMO CNC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(CC(C)C)s2)C1 ZINC000670472801 541011311 /nfs/dbraw/zinc/01/13/11/541011311.db2.gz KPHDTTONCJWXSC-ZDUSSCGKSA-N 1 1 294.464 2.905 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)[C@H](C)C2 ZINC000183858807 189369771 /nfs/dbraw/zinc/36/97/71/189369771.db2.gz UNFPNOWCARNBEW-ACJLOTCBSA-N 1 1 296.418 2.946 50 0 CFAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC=CC1 ZINC000193798013 189650217 /nfs/dbraw/zinc/65/02/17/189650217.db2.gz KNKKONAIGWZHEL-INIZCTEOSA-N 1 1 284.403 2.591 50 0 CFAAMO C[C@@H]1C[C@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)[N@H+]1C ZINC000000000283 371507919 /nfs/dbraw/zinc/50/79/19/371507919.db2.gz QSAVEGSLJISCDF-VHDGCEQUSA-N 1 1 291.391 2.525 50 0 in-man CFAAMO Cc1cc(Nc2ccc(F)c(Cl)c2)nc(N)[nH+]1 ZINC000000089184 371526623 /nfs/dbraw/zinc/52/66/23/371526623.db2.gz KULBALYSACWIEU-UHFFFAOYSA-N 1 1 252.680 2.903 50 0 CFAAMO C[NH+]1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 ZINC000000129115 371537162 /nfs/dbraw/zinc/53/71/62/371537162.db2.gz JUJHMOKRRJGJPV-UHFFFAOYSA-N 1 1 298.361 2.809 50 0 CFAAMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000000176603 371549609 /nfs/dbraw/zinc/54/96/09/371549609.db2.gz IIJYNMNZMFTBEF-ZDUSSCGKSA-N 1 1 276.380 2.756 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000000237965 371563757 /nfs/dbraw/zinc/56/37/57/371563757.db2.gz QQUUUVJOLQHIAZ-LBPRGKRZSA-N 1 1 283.318 2.740 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000000237965 371563767 /nfs/dbraw/zinc/56/37/67/371563767.db2.gz QQUUUVJOLQHIAZ-LBPRGKRZSA-N 1 1 283.318 2.740 50 0 CFAAMO OC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000000236883 371563939 /nfs/dbraw/zinc/56/39/39/371563939.db2.gz KBEIGZLLGAEFNB-UHFFFAOYSA-N 1 1 259.271 2.662 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000000237797 371564059 /nfs/dbraw/zinc/56/40/59/371564059.db2.gz SGUNXEIHOGVXFK-MRXNPFEDSA-N 1 1 274.408 2.767 50 0 CFAAMO CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000000240352 371566491 /nfs/dbraw/zinc/56/64/91/371566491.db2.gz VUZNDSGNCJJSOI-UHFFFAOYSA-N 1 1 252.789 2.866 50 0 CFAAMO CN(Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000000240352 371566496 /nfs/dbraw/zinc/56/64/96/371566496.db2.gz VUZNDSGNCJJSOI-UHFFFAOYSA-N 1 1 252.789 2.866 50 0 CFAAMO CCC[N@@H+](CCO)Cc1ccc(F)c(Br)c1 ZINC000000278994 371576164 /nfs/dbraw/zinc/57/61/64/371576164.db2.gz UHYCIVZZCRRYBX-UHFFFAOYSA-N 1 1 290.176 2.793 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000279112 371576423 /nfs/dbraw/zinc/57/64/23/371576423.db2.gz PXJIGQKRWYJVRW-SECBINFHSA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000279112 371576424 /nfs/dbraw/zinc/57/64/24/371576424.db2.gz PXJIGQKRWYJVRW-SECBINFHSA-N 1 1 287.190 2.691 50 0 CFAAMO CCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000000525871 371635245 /nfs/dbraw/zinc/63/52/45/371635245.db2.gz YZOFFOOGEUJNQN-DZGCQCFKSA-N 1 1 258.365 2.539 50 0 CFAAMO O=c1oc2cc(Cl)ccc2n1C[NH+]1CCCCC1 ZINC000001507126 371678844 /nfs/dbraw/zinc/67/88/44/371678844.db2.gz RNAGEHMREOWQPY-UHFFFAOYSA-N 1 1 266.728 2.691 50 0 CFAAMO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000000757430 371649026 /nfs/dbraw/zinc/64/90/26/371649026.db2.gz VZLOINUBTSQDNP-JTQLQIEISA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000000757430 371649027 /nfs/dbraw/zinc/64/90/27/371649027.db2.gz VZLOINUBTSQDNP-JTQLQIEISA-N 1 1 287.190 2.691 50 0 CFAAMO COc1ccc(/C=C/C(=O)OCC[N@@H+](C)C(C)(C)C)cc1 ZINC000001862127 371710417 /nfs/dbraw/zinc/71/04/17/371710417.db2.gz SNDHSZQLNXKMTR-DHZHZOJOSA-N 1 1 291.391 2.982 50 0 CFAAMO C[C@H]([NH3+])c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000002352158 371723663 /nfs/dbraw/zinc/72/36/63/371723663.db2.gz ZQKFSTIKJYMHEP-ZETCQYMHSA-N 1 1 297.767 2.718 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000002388716 371726286 /nfs/dbraw/zinc/72/62/86/371726286.db2.gz KKCDJKPEBVZDHO-BBRMVZONSA-N 1 1 297.826 2.949 50 0 CFAAMO CCC(=O)Nc1ccc(C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000003326025 371791234 /nfs/dbraw/zinc/79/12/34/371791234.db2.gz HCRCNDHTKXTPTR-UHFFFAOYSA-N 1 1 288.391 2.950 50 0 CFAAMO C[N@@H+](CCOC(=O)c1ccccc1F)C(C)(C)C ZINC000002927504 371765565 /nfs/dbraw/zinc/76/55/65/371765565.db2.gz PRGPBFOMMAKIFI-UHFFFAOYSA-N 1 1 253.317 2.713 50 0 CFAAMO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N)c12 ZINC000003888750 371822488 /nfs/dbraw/zinc/82/24/88/371822488.db2.gz WVJFFHQKDQYWCI-UHFFFAOYSA-N 1 1 252.321 2.679 50 0 CFAAMO COc1ccccc1NC(=O)OC[C@@H]1CCCC[N@H+]1C ZINC000004566633 371864507 /nfs/dbraw/zinc/86/45/07/371864507.db2.gz FXRAYLUFYVJHQO-LBPRGKRZSA-N 1 1 278.352 2.728 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000004559185 371864694 /nfs/dbraw/zinc/86/46/94/371864694.db2.gz BYDPTDZYDJGZSQ-UHFFFAOYSA-N 1 1 267.760 2.509 50 0 CFAAMO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000004192322 371840078 /nfs/dbraw/zinc/84/00/78/371840078.db2.gz AXQKWRMPCYVYQL-BBRMVZONSA-N 1 1 291.391 2.503 50 0 CFAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](C)C1 ZINC000012003427 371941125 /nfs/dbraw/zinc/94/11/25/371941125.db2.gz QIUWVFYPCZAVEC-KRWDZBQOSA-N 1 1 291.391 2.731 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1)c1ccco1 ZINC000010328212 371905854 /nfs/dbraw/zinc/90/58/54/371905854.db2.gz UXHJSRZMTPYUCQ-ZDUSSCGKSA-N 1 1 273.336 2.704 50 0 CFAAMO Cn1cnn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000012819948 371988987 /nfs/dbraw/zinc/98/89/87/371988987.db2.gz KISGCTXMFQNNEP-AWEZNQCLSA-N 1 1 288.420 2.616 50 0 CFAAMO Cn1cnn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000012819948 371988995 /nfs/dbraw/zinc/98/89/95/371988995.db2.gz KISGCTXMFQNNEP-AWEZNQCLSA-N 1 1 288.420 2.616 50 0 CFAAMO Cc1[nH+]cc(CN2CCO[C@@H](CCCC(C)C)C2)n1C ZINC000012317637 371950514 /nfs/dbraw/zinc/95/05/14/371950514.db2.gz YSXSFRYHCNVXSM-INIZCTEOSA-N 1 1 279.428 2.756 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccccc1)C1CCCCC1 ZINC000013323121 372023443 /nfs/dbraw/zinc/02/34/43/372023443.db2.gz MIYBENHZBNEOLJ-UHFFFAOYSA-N 1 1 260.381 2.567 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000013838786 372051255 /nfs/dbraw/zinc/05/12/55/372051255.db2.gz JBXDCVZZZNLFSO-CABCVRRESA-N 1 1 295.448 2.889 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000013838786 372051257 /nfs/dbraw/zinc/05/12/57/372051257.db2.gz JBXDCVZZZNLFSO-CABCVRRESA-N 1 1 295.448 2.889 50 0 CFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccoc1 ZINC000013011185 372011384 /nfs/dbraw/zinc/01/13/84/372011384.db2.gz QNICIKSXLYSNNF-CQSZACIVSA-N 1 1 288.347 2.830 50 0 CFAAMO C[C@]12CC3CC([C@@H](O)C[NH+]4CCOCC4)(C1)C[C@@](C)(C3)C2 ZINC000013119563 372014648 /nfs/dbraw/zinc/01/46/48/372014648.db2.gz YPJDTIFSLVJTDN-NNCLKIPCSA-N 1 1 293.451 2.676 50 0 CFAAMO CCC(C)(C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000016420954 372105661 /nfs/dbraw/zinc/10/56/61/372105661.db2.gz QDKWAEAUKDSGSH-LLVKDONJSA-N 1 1 280.437 2.972 50 0 CFAAMO CCC(C)(C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000016420954 372105667 /nfs/dbraw/zinc/10/56/67/372105667.db2.gz QDKWAEAUKDSGSH-LLVKDONJSA-N 1 1 280.437 2.972 50 0 CFAAMO C[C@@H]1C[N@H+](CCSc2ccccc2)C[C@H](C)O1 ZINC000016489410 372108654 /nfs/dbraw/zinc/10/86/54/372108654.db2.gz PUEXDBWZCWWBQD-BETUJISGSA-N 1 1 251.395 2.888 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000016602800 372112035 /nfs/dbraw/zinc/11/20/35/372112035.db2.gz BMUAGRPQOWWJBS-UHFFFAOYSA-N 1 1 274.389 2.679 50 0 CFAAMO Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000016606083 372113434 /nfs/dbraw/zinc/11/34/34/372113434.db2.gz SOKRTSHEIRANJY-UHFFFAOYSA-N 1 1 298.386 2.589 50 0 CFAAMO COc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000016662610 372115683 /nfs/dbraw/zinc/11/56/83/372115683.db2.gz NJFPPZNECNORBX-KRWDZBQOSA-N 1 1 271.360 2.861 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)cc2)no1 ZINC000014202399 372064810 /nfs/dbraw/zinc/06/48/10/372064810.db2.gz CTSZCWQILXAVOV-ZDUSSCGKSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)cc2)no1 ZINC000014202399 372064817 /nfs/dbraw/zinc/06/48/17/372064817.db2.gz CTSZCWQILXAVOV-ZDUSSCGKSA-N 1 1 287.363 2.750 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccccc1Cl ZINC000019369214 372158435 /nfs/dbraw/zinc/15/84/35/372158435.db2.gz RWEKAEFOBTXOND-CYBMUJFWSA-N 1 1 252.789 2.914 50 0 CFAAMO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC000019369214 372158438 /nfs/dbraw/zinc/15/84/38/372158438.db2.gz RWEKAEFOBTXOND-CYBMUJFWSA-N 1 1 252.789 2.914 50 0 CFAAMO Cc1cc(C)c(C)c(OCCC[NH+]2CCOCC2)c1 ZINC000019607336 372178622 /nfs/dbraw/zinc/17/86/22/372178622.db2.gz UOIDVXCONWRMBB-UHFFFAOYSA-N 1 1 263.381 2.713 50 0 CFAAMO Cc1ccc(C)c2c(=O)c(CN3CC[NH+](C)CC3)c(C)[nH]c12 ZINC000019793597 372188130 /nfs/dbraw/zinc/18/81/30/372188130.db2.gz AUBZKNFOCGNIOP-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO Cc1ccc(C)c2c(=O)c(C[NH+]3CCN(C)CC3)c(C)[nH]c12 ZINC000019793597 372188132 /nfs/dbraw/zinc/18/81/32/372188132.db2.gz AUBZKNFOCGNIOP-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO C[N@H+]1CC[C@@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000019840084 372198093 /nfs/dbraw/zinc/19/80/93/372198093.db2.gz MJZGTWQPUUIFLH-CYBMUJFWSA-N 1 1 283.375 2.959 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1F)c1ccco1 ZINC000022858463 372245454 /nfs/dbraw/zinc/24/54/54/372245454.db2.gz XCVFROGDCSCQQU-LBPRGKRZSA-N 1 1 294.301 2.591 50 0 CFAAMO Cn1cc(C[NH+]2CCSCC2)c(-c2ccccc2F)n1 ZINC000023339354 372258991 /nfs/dbraw/zinc/25/89/91/372258991.db2.gz RBICIDZOJMPMOY-UHFFFAOYSA-N 1 1 291.395 2.775 50 0 CFAAMO Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)c(C)c1 ZINC000023471806 372260646 /nfs/dbraw/zinc/26/06/46/372260646.db2.gz RUNNMQWVTBLAMJ-WBVHZDCISA-N 1 1 258.409 2.972 50 0 CFAAMO O=C1CC[N@H+](Cc2sc3ccccc3c2Cl)CCN1 ZINC000024529112 372275817 /nfs/dbraw/zinc/27/58/17/372275817.db2.gz LFUYHSLKLDTNED-UHFFFAOYSA-N 1 1 294.807 2.877 50 0 CFAAMO O=C1CC[N@@H+](Cc2sc3ccccc3c2Cl)CCN1 ZINC000024529112 372275824 /nfs/dbraw/zinc/27/58/24/372275824.db2.gz LFUYHSLKLDTNED-UHFFFAOYSA-N 1 1 294.807 2.877 50 0 CFAAMO Cc1ccnc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000028233618 372360187 /nfs/dbraw/zinc/36/01/87/372360187.db2.gz AJKBENAHTUZKTB-MRXNPFEDSA-N 1 1 295.386 2.993 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)C1CCC1)c1ccccc1Cl ZINC000027346566 372339029 /nfs/dbraw/zinc/33/90/29/372339029.db2.gz FXHOVRWPFNFSGK-AWEZNQCLSA-N 1 1 280.799 2.859 50 0 CFAAMO O=C(CCC1CCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932653 372353205 /nfs/dbraw/zinc/35/32/05/372353205.db2.gz AHIGYCUYHPZAMQ-HNNXBMFYSA-N 1 1 264.413 2.654 50 0 CFAAMO O=[S@](CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000032932791 372478071 /nfs/dbraw/zinc/47/80/71/372478071.db2.gz NNECKMJVTMTPIY-FQEVSTJZSA-N 1 1 285.412 2.853 50 0 CFAAMO O=[S@@](CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000032932790 372478176 /nfs/dbraw/zinc/47/81/76/372478176.db2.gz NNECKMJVTMTPIY-HXUWFJFHSA-N 1 1 285.412 2.853 50 0 CFAAMO OC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000032758512 372459946 /nfs/dbraw/zinc/45/99/46/372459946.db2.gz NAWOJEYXTNEXHA-UHFFFAOYSA-N 1 1 292.766 2.952 50 0 CFAAMO Cc1noc(C)c1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000037077231 372646095 /nfs/dbraw/zinc/64/60/95/372646095.db2.gz NVKVBSMBIMAGTI-ZDUSSCGKSA-N 1 1 288.347 2.563 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000037077231 372646100 /nfs/dbraw/zinc/64/61/00/372646100.db2.gz NVKVBSMBIMAGTI-ZDUSSCGKSA-N 1 1 288.347 2.563 50 0 CFAAMO Cc1n[nH]c(C)c1CNCCC[N@H+](C)Cc1ccccc1 ZINC000036864552 372603668 /nfs/dbraw/zinc/60/36/68/372603668.db2.gz JITUYWSRSQSUIA-UHFFFAOYSA-N 1 1 286.423 2.638 50 0 CFAAMO Cc1n[nH]c(C)c1C[NH2+]CCCN(C)Cc1ccccc1 ZINC000036864552 372603677 /nfs/dbraw/zinc/60/36/77/372603677.db2.gz JITUYWSRSQSUIA-UHFFFAOYSA-N 1 1 286.423 2.638 50 0 CFAAMO C[C@@H](CNCc1cccs1)C[NH+]1CCCCC1 ZINC000037997549 372755962 /nfs/dbraw/zinc/75/59/62/372755962.db2.gz GNGPMOJIFSTOAY-ZDUSSCGKSA-N 1 1 252.427 2.960 50 0 CFAAMO C[C@H](CNCc1cccs1)C[NH+]1CCCCC1 ZINC000037997550 372756068 /nfs/dbraw/zinc/75/60/68/372756068.db2.gz GNGPMOJIFSTOAY-CYBMUJFWSA-N 1 1 252.427 2.960 50 0 CFAAMO Cn1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1=O ZINC000042113036 372874361 /nfs/dbraw/zinc/87/43/61/372874361.db2.gz JUCLCZNTAPICLQ-QGZVFWFLSA-N 1 1 282.387 2.592 50 0 CFAAMO c1[nH]nc(-c2ccccc2)c1CNCC[NH+]1CCCCC1 ZINC000042203530 372883888 /nfs/dbraw/zinc/88/38/88/372883888.db2.gz YEPWLFYRTLRMKE-UHFFFAOYSA-N 1 1 284.407 2.652 50 0 CFAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)C1CC1 ZINC000046601760 373058808 /nfs/dbraw/zinc/05/88/08/373058808.db2.gz ZLSUDRAGIIXNJT-UHFFFAOYSA-N 1 1 298.390 2.522 50 0 CFAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)C1CC1 ZINC000046601760 373058811 /nfs/dbraw/zinc/05/88/11/373058811.db2.gz ZLSUDRAGIIXNJT-UHFFFAOYSA-N 1 1 298.390 2.522 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000046878904 373067571 /nfs/dbraw/zinc/06/75/71/373067571.db2.gz WUIRKBBSNUUAPK-NSHDSACASA-N 1 1 298.789 2.941 50 0 CFAAMO Cc1nnc(C[NH+]2CCC(Cc3ccccc3)CC2)n1C ZINC000047540938 373102681 /nfs/dbraw/zinc/10/26/81/373102681.db2.gz UMMFSUNCYNRFAG-UHFFFAOYSA-N 1 1 284.407 2.578 50 0 CFAAMO c1cc2c(c(C[NH2+]Cc3ccc4c(n3)CCCC4)c1)OCO2 ZINC000277654861 193720835 /nfs/dbraw/zinc/72/08/35/193720835.db2.gz FZGPXAPTRFQDAH-UHFFFAOYSA-N 1 1 296.370 2.979 50 0 CFAAMO Cc1noc(C)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000048613679 373208249 /nfs/dbraw/zinc/20/82/49/373208249.db2.gz HLKLPCZXRBMZIX-UHFFFAOYSA-N 1 1 285.391 2.609 50 0 CFAAMO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1cccc2cccnc21 ZINC000025808336 284393241 /nfs/dbraw/zinc/39/32/41/284393241.db2.gz IQPLZSXUXGAJFS-UHFFFAOYSA-N 1 1 299.418 2.971 50 0 CFAAMO CC(C)[N@@H+](CCO)Cc1cc(F)cc2cccnc21 ZINC000050103797 373351867 /nfs/dbraw/zinc/35/18/67/373351867.db2.gz XANTVVZFNTZCPL-UHFFFAOYSA-N 1 1 262.328 2.577 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000051203943 373387708 /nfs/dbraw/zinc/38/77/08/373387708.db2.gz APSLGOSPINEBCH-LBPRGKRZSA-N 1 1 276.767 2.845 50 0 CFAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H]2CCOC2)c(C)c1 ZINC000051589653 373401686 /nfs/dbraw/zinc/40/16/86/373401686.db2.gz VYBFZPMVLGAQIQ-OAHLLOKOSA-N 1 1 290.407 2.519 50 0 CFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)Cc1ccsc1 ZINC000057218354 373583868 /nfs/dbraw/zinc/58/38/68/373583868.db2.gz BYFKXYGXQDPZGG-UHFFFAOYSA-N 1 1 298.371 2.818 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCn1ccc2ccccc21 ZINC000055208668 373544037 /nfs/dbraw/zinc/54/40/37/373544037.db2.gz PYZQDWAOWWHKFK-INIZCTEOSA-N 1 1 299.418 2.632 50 0 CFAAMO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(CC(N)=O)CC1 ZINC000056494249 373564259 /nfs/dbraw/zinc/56/42/59/373564259.db2.gz BCMUPBHNXLRYDK-SNVBAGLBSA-N 1 1 282.334 2.613 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000056908329 373573647 /nfs/dbraw/zinc/57/36/47/373573647.db2.gz GKWRJFGLFSVXCR-GFCCVEGCSA-N 1 1 296.798 2.637 50 0 CFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)C2CCCC2)c1 ZINC000058325774 373644793 /nfs/dbraw/zinc/64/47/93/373644793.db2.gz BFGPOSIPPCJQAO-UHFFFAOYSA-N 1 1 274.408 2.945 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2occc2-c2ccccc2)CC1 ZINC000058392294 373653128 /nfs/dbraw/zinc/65/31/28/373653128.db2.gz SAJKWGWALDCERN-UHFFFAOYSA-N 1 1 284.359 2.724 50 0 CFAAMO Cc1ccc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)o1 ZINC000058393351 373654650 /nfs/dbraw/zinc/65/46/50/373654650.db2.gz QTUDXYWXMLKOIV-LBPRGKRZSA-N 1 1 276.384 2.547 50 0 CFAAMO CC(C)([NH2+]Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000060196791 373687603 /nfs/dbraw/zinc/68/76/03/373687603.db2.gz KDDNSKLEHBQEST-UHFFFAOYSA-N 1 1 293.370 2.879 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2cc(C)nc3c(C)cccc23)CC1 ZINC000064553255 373828697 /nfs/dbraw/zinc/82/86/97/373828697.db2.gz HLOHDVWRHUFRLN-UHFFFAOYSA-N 1 1 297.402 2.629 50 0 CFAAMO CC(=O)Oc1c(C)cc(C[NH2+]Cc2cnc(C)cn2)cc1C ZINC000065528047 373882819 /nfs/dbraw/zinc/88/28/19/373882819.db2.gz CGAPGIQTULBAFW-UHFFFAOYSA-N 1 1 299.374 2.617 50 0 CFAAMO CCCc1cnc(C)nc1N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000065530898 373884572 /nfs/dbraw/zinc/88/45/72/373884572.db2.gz RHEQCUJJHUTHIO-ZDUSSCGKSA-N 1 1 288.439 2.801 50 0 CFAAMO CCCSCC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000065604016 373894110 /nfs/dbraw/zinc/89/41/10/373894110.db2.gz RPIQNXMXVBVUQF-UHFFFAOYSA-N 1 1 294.464 2.898 50 0 CFAAMO COC[C@@H](c1ccccn1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000065374798 373858393 /nfs/dbraw/zinc/85/83/93/373858393.db2.gz IKUCWFQWVGCNNZ-KRWDZBQOSA-N 1 1 298.386 2.836 50 0 CFAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000065374798 373858403 /nfs/dbraw/zinc/85/84/03/373858403.db2.gz IKUCWFQWVGCNNZ-KRWDZBQOSA-N 1 1 298.386 2.836 50 0 CFAAMO CCn1ccc2c1cccc2C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065395323 373863925 /nfs/dbraw/zinc/86/39/25/373863925.db2.gz YZMILIZOYOXADQ-CABCVRRESA-N 1 1 297.402 2.514 50 0 CFAAMO CCCc1[nH+]ccn1-c1ccc(NC(C)=O)c(OC)c1 ZINC000065386917 373864429 /nfs/dbraw/zinc/86/44/29/373864429.db2.gz JVNDNRGQICVNJM-UHFFFAOYSA-N 1 1 273.336 2.792 50 0 CFAAMO Cc1cccnc1N1CC[NH+](CC2(C(F)(F)F)CC2)CC1 ZINC000065417823 373868099 /nfs/dbraw/zinc/86/80/99/373868099.db2.gz DFZMMSYBVWTICI-UHFFFAOYSA-N 1 1 299.340 2.855 50 0 CFAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1ccc(CO)o1 ZINC000065408413 373868186 /nfs/dbraw/zinc/86/81/86/373868186.db2.gz NCAUHPLWAQDLGM-CYBMUJFWSA-N 1 1 274.364 2.538 50 0 CFAAMO Cn1ccnc1C[N@@H+](C[C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000065433087 373870540 /nfs/dbraw/zinc/87/05/40/373870540.db2.gz STJQVIXNGIGYBC-CYBMUJFWSA-N 1 1 277.412 2.590 50 0 CFAAMO CC[C@@H](C(=O)NCC1=CCC[N@@H+](C)C1)c1ccccc1 ZINC000065423581 373871381 /nfs/dbraw/zinc/87/13/81/373871381.db2.gz SVTBXYISUJNTIQ-MRXNPFEDSA-N 1 1 272.392 2.558 50 0 CFAAMO Cc1nc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)oc1C ZINC000065454386 373872819 /nfs/dbraw/zinc/87/28/19/373872819.db2.gz VAVKVIYOOKTAOB-AWEZNQCLSA-N 1 1 286.379 2.620 50 0 CFAAMO Cc1nc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)oc1C ZINC000065454386 373872825 /nfs/dbraw/zinc/87/28/25/373872825.db2.gz VAVKVIYOOKTAOB-AWEZNQCLSA-N 1 1 286.379 2.620 50 0 CFAAMO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(CC(N)=O)CC1 ZINC000065464399 373874588 /nfs/dbraw/zinc/87/45/88/373874588.db2.gz JCOWTDHCFKGFIT-JTQLQIEISA-N 1 1 282.334 2.613 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C1(C)CCCCC1)C2 ZINC000067755696 373999694 /nfs/dbraw/zinc/99/96/94/373999694.db2.gz HJSZUMSDTFJUQL-UONOGXRCSA-N 1 1 264.413 2.652 50 0 CFAAMO CCCC(=O)N1CCC2(CC1)CCC[N@@H+](C)CC2 ZINC000067790391 374001173 /nfs/dbraw/zinc/00/11/73/374001173.db2.gz YRUJWIBQLKRTAZ-UHFFFAOYSA-N 1 1 252.402 2.511 50 0 CFAAMO CC(=O)c1c(C)cc(C)c(CN2CC[C@H](C[NH3+])C2)c1C ZINC000067784528 374002520 /nfs/dbraw/zinc/00/25/20/374002520.db2.gz XLQSXRRTHLXQSR-OAHLLOKOSA-N 1 1 274.408 2.595 50 0 CFAAMO Cc1nc(C[N@@H+](C)[C@@H](C)Cc2ncccc2C)co1 ZINC000067847534 374008761 /nfs/dbraw/zinc/00/87/61/374008761.db2.gz XYAASDVRVBPODS-LBPRGKRZSA-N 1 1 259.353 2.749 50 0 CFAAMO Cc1nc(C[N@H+](C)[C@@H](C)Cc2ncccc2C)co1 ZINC000067847534 374008770 /nfs/dbraw/zinc/00/87/70/374008770.db2.gz XYAASDVRVBPODS-LBPRGKRZSA-N 1 1 259.353 2.749 50 0 CFAAMO CC(C)NC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067935318 374015973 /nfs/dbraw/zinc/01/59/73/374015973.db2.gz GZFGYFSKPPLXCG-AWEZNQCLSA-N 1 1 293.411 2.589 50 0 CFAAMO C[N@H+]1CC[C@H](CNC(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000067919678 374016293 /nfs/dbraw/zinc/01/62/93/374016293.db2.gz PSMVNYDKPQSUTE-CQSZACIVSA-N 1 1 299.418 2.559 50 0 CFAAMO COc1ccc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)nn1 ZINC000067458620 373978574 /nfs/dbraw/zinc/97/85/74/373978574.db2.gz UEBWTIMUTHDRFR-ZDUSSCGKSA-N 1 1 299.374 2.545 50 0 CFAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc3ccccc3cn2)C1 ZINC000067587841 373985436 /nfs/dbraw/zinc/98/54/36/373985436.db2.gz RZJPSVIVIMBQRV-AWEZNQCLSA-N 1 1 297.402 2.697 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000069617079 374078449 /nfs/dbraw/zinc/07/84/49/374078449.db2.gz GSBHRIAIKOTFJX-ZJUUUORDSA-N 1 1 284.350 2.919 50 0 CFAAMO Clc1ccc(C[N@H+]2CCC[C@@H]2Cn2cncn2)s1 ZINC000069620851 374081042 /nfs/dbraw/zinc/08/10/42/374081042.db2.gz HNHNPTJOWSTZSM-SNVBAGLBSA-N 1 1 282.800 2.658 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccsc1 ZINC000069653925 374082646 /nfs/dbraw/zinc/08/26/46/374082646.db2.gz FPOZPKDBTRNYFN-KBPBESRZSA-N 1 1 278.421 2.837 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2c(C)noc2C)n1 ZINC000070010491 374114608 /nfs/dbraw/zinc/11/46/08/374114608.db2.gz ONTWWRCSPARXBN-HNNXBMFYSA-N 1 1 288.395 2.769 50 0 CFAAMO Cn1cc([C@H]2CCC[N@H+]2CCc2cccs2)cn1 ZINC000070006591 374114802 /nfs/dbraw/zinc/11/48/02/374114802.db2.gz FLEZLAVMSWJZPO-CQSZACIVSA-N 1 1 261.394 2.861 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)c3cccnc3)C2)n1 ZINC000070020933 374116721 /nfs/dbraw/zinc/11/67/21/374116721.db2.gz IWSXWDNJFXYTTL-BBRMVZONSA-N 1 1 299.422 2.763 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000070040067 374117507 /nfs/dbraw/zinc/11/75/07/374117507.db2.gz PRRNFPOBMWMPBJ-CQSZACIVSA-N 1 1 276.409 2.621 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000070040067 374117513 /nfs/dbraw/zinc/11/75/13/374117513.db2.gz PRRNFPOBMWMPBJ-CQSZACIVSA-N 1 1 276.409 2.621 50 0 CFAAMO COc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000069669085 374085309 /nfs/dbraw/zinc/08/53/09/374085309.db2.gz FCOWONSYFCSFMR-HNNXBMFYSA-N 1 1 289.354 2.905 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000069669085 374085313 /nfs/dbraw/zinc/08/53/13/374085313.db2.gz FCOWONSYFCSFMR-HNNXBMFYSA-N 1 1 289.354 2.905 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000069809047 374100035 /nfs/dbraw/zinc/10/00/35/374100035.db2.gz WZDXZYNGSFAFEH-UHFFFAOYSA-N 1 1 274.408 2.564 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000069820182 374102002 /nfs/dbraw/zinc/10/20/02/374102002.db2.gz HCMPXLRGRKOJNT-GOSISDBHSA-N 1 1 298.434 2.850 50 0 CFAAMO Cc1nc[nH]c1CN1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071777254 374223896 /nfs/dbraw/zinc/22/38/96/374223896.db2.gz VGSXOINNVYZSFO-KRWDZBQOSA-N 1 1 290.455 2.660 50 0 CFAAMO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cccn2)n1 ZINC000071875636 374228073 /nfs/dbraw/zinc/22/80/73/374228073.db2.gz JFKPMDLDAFVMAV-CHWSQXEVSA-N 1 1 289.383 2.615 50 0 CFAAMO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cccn2)n1 ZINC000071875636 374228081 /nfs/dbraw/zinc/22/80/81/374228081.db2.gz JFKPMDLDAFVMAV-CHWSQXEVSA-N 1 1 289.383 2.615 50 0 CFAAMO Cc1cc(N[C@@H](CO)Cc2c[nH]c3ccccc23)nc(C)[nH+]1 ZINC000076065066 374526458 /nfs/dbraw/zinc/52/64/58/374526458.db2.gz BKQLWHUUBIBOPE-CQSZACIVSA-N 1 1 296.374 2.590 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)s2)on1 ZINC000076342394 374548559 /nfs/dbraw/zinc/54/85/59/374548559.db2.gz DSLHLIBSUHUWDO-LLVKDONJSA-N 1 1 293.392 2.812 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)s2)on1 ZINC000076342394 374548565 /nfs/dbraw/zinc/54/85/65/374548565.db2.gz DSLHLIBSUHUWDO-LLVKDONJSA-N 1 1 293.392 2.812 50 0 CFAAMO Cc1[nH+]cn(C[C@@H](O)c2ccccc2Cl)c1C ZINC000079090676 374592836 /nfs/dbraw/zinc/59/28/36/374592836.db2.gz ZPESYOVIKRDVJQ-CYBMUJFWSA-N 1 1 250.729 2.887 50 0 CFAAMO C[N@H+](Cc1c(F)cccc1Cl)CC1(O)CCC1 ZINC000079096597 374594488 /nfs/dbraw/zinc/59/44/88/374594488.db2.gz TXNUTERBXCBMOO-UHFFFAOYSA-N 1 1 257.736 2.826 50 0 CFAAMO C[N@@H+](Cc1c(F)cccc1Cl)CC1(O)CCC1 ZINC000079096597 374594493 /nfs/dbraw/zinc/59/44/93/374594493.db2.gz TXNUTERBXCBMOO-UHFFFAOYSA-N 1 1 257.736 2.826 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(C)C)CC2)C12CCC2 ZINC000087709183 374827986 /nfs/dbraw/zinc/82/79/86/374827986.db2.gz ATKRYHLUUZEZQF-JKSUJKDBSA-N 1 1 280.456 2.797 50 0 CFAAMO CC(C)(C)OCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000084240878 374770151 /nfs/dbraw/zinc/77/01/51/374770151.db2.gz MSADSTGUCNFGDV-CYBMUJFWSA-N 1 1 251.374 2.752 50 0 CFAAMO Cc1cc(C[N@@H+]2CC[C@H](OCCC(C)C)C2)on1 ZINC000089606896 374927832 /nfs/dbraw/zinc/92/78/32/374927832.db2.gz DPNAIOHLUZMDMB-ZDUSSCGKSA-N 1 1 252.358 2.620 50 0 CFAAMO CC(C)CSCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000089856430 374961392 /nfs/dbraw/zinc/96/13/92/374961392.db2.gz PXGKIMALWCKFND-UHFFFAOYSA-N 1 1 255.431 2.631 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)Nc1c(F)cccc1NC1CC1 ZINC000089869451 374963651 /nfs/dbraw/zinc/96/36/51/374963651.db2.gz WBLOYBLRAIRLAE-UHFFFAOYSA-N 1 1 279.359 2.679 50 0 CFAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000089873175 374963798 /nfs/dbraw/zinc/96/37/98/374963798.db2.gz YVIWKCGIDZXAPY-AWEZNQCLSA-N 1 1 280.371 2.806 50 0 CFAAMO CC[C@H](C[NH2+]Cc1ccc(F)c(F)c1)N1CCCC1 ZINC000089943463 374975071 /nfs/dbraw/zinc/97/50/71/374975071.db2.gz DOBZUVNIYOFSLT-CYBMUJFWSA-N 1 1 268.351 2.929 50 0 CFAAMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000092705546 375139034 /nfs/dbraw/zinc/13/90/34/375139034.db2.gz MHNLRJXBXCEBJJ-OAHLLOKOSA-N 1 1 278.371 2.625 50 0 CFAAMO OCCC[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000092785397 375152704 /nfs/dbraw/zinc/15/27/04/375152704.db2.gz SGKCEFXJRMAACO-LLVKDONJSA-N 1 1 255.308 2.702 50 0 CFAAMO C[N@@H+](CCN1CCCC1=O)CC1CCC(C)(C)CC1 ZINC000093320329 375209569 /nfs/dbraw/zinc/20/95/69/375209569.db2.gz FURVGGLDTCAPSE-UHFFFAOYSA-N 1 1 266.429 2.757 50 0 CFAAMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)C2CCS(=O)CC2)o1 ZINC000093659504 375288621 /nfs/dbraw/zinc/28/86/21/375288621.db2.gz BWHKKVQBIIFZNO-UEWHRMHWSA-N 1 1 281.421 2.746 50 0 CFAAMO COc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506957 375257938 /nfs/dbraw/zinc/25/79/38/375257938.db2.gz NGHYVUFFYNSIIJ-GDBMZVCRSA-N 1 1 261.365 2.696 50 0 CFAAMO Cc1ccc(CCCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000095458091 375456897 /nfs/dbraw/zinc/45/68/97/375456897.db2.gz JYUPEARTTUDPCL-CVEARBPZSA-N 1 1 288.435 2.869 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCn1ccc2ccccc2c1=O ZINC000095357867 375419481 /nfs/dbraw/zinc/41/94/81/375419481.db2.gz CGRWTTHZEBXZPW-HNNXBMFYSA-N 1 1 270.376 2.876 50 0 CFAAMO C[N@H+]1CCCC[C@H]1Cn1sc2ccccc2c1=O ZINC000095366416 375421048 /nfs/dbraw/zinc/42/10/48/375421048.db2.gz NPODVIUTFCBYEZ-NSHDSACASA-N 1 1 262.378 2.547 50 0 CFAAMO CCc1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000095381032 375427551 /nfs/dbraw/zinc/42/75/51/375427551.db2.gz YYCQVQRGQSXNLZ-INIZCTEOSA-N 1 1 282.391 2.725 50 0 CFAAMO CCc1ncc(C[NH2+][C@@H](CO)c2ccccc2F)s1 ZINC000095409421 375434638 /nfs/dbraw/zinc/43/46/38/375434638.db2.gz WVUAERFRLSQOBH-ZDUSSCGKSA-N 1 1 280.368 2.668 50 0 CFAAMO C[N@H+](Cc1cnc2ccccn12)[C@@H](CO)c1cccc(F)c1 ZINC000095413157 375436053 /nfs/dbraw/zinc/43/60/53/375436053.db2.gz CAHCPZNHMXHRIP-INIZCTEOSA-N 1 1 299.349 2.639 50 0 CFAAMO C[N@@H+](Cc1cnc2ccccn12)[C@@H](CO)c1cccc(F)c1 ZINC000095413157 375436057 /nfs/dbraw/zinc/43/60/57/375436057.db2.gz CAHCPZNHMXHRIP-INIZCTEOSA-N 1 1 299.349 2.639 50 0 CFAAMO c1nn2ccccc2c1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000096160665 375471645 /nfs/dbraw/zinc/47/16/45/375471645.db2.gz NBTIBRZLGOBDQT-UHFFFAOYSA-N 1 1 293.370 2.834 50 0 CFAAMO Cc1cc(C)nc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000097142982 375530627 /nfs/dbraw/zinc/53/06/27/375530627.db2.gz PJCCZRKVSFOUIU-GXTWGEPZSA-N 1 1 290.411 2.502 50 0 CFAAMO Cn1cc(C[NH2+]Cc2nc(-c3ccccc3)cs2)cn1 ZINC000097159088 375531945 /nfs/dbraw/zinc/53/19/45/375531945.db2.gz MRRRXAMXWJLUHJ-UHFFFAOYSA-N 1 1 284.388 2.833 50 0 CFAAMO COC(=O)c1ccc(Cl)c(C[N@@H+](C)C[C@H]2CCOC2)c1 ZINC000097080414 375509409 /nfs/dbraw/zinc/50/94/09/375509409.db2.gz YPTIPGPMGAZSPO-LLVKDONJSA-N 1 1 297.782 2.595 50 0 CFAAMO COc1cccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000097085372 375511615 /nfs/dbraw/zinc/51/16/15/375511615.db2.gz XEFRDAZRUZGRMM-GFCCVEGCSA-N 1 1 296.330 2.672 50 0 CFAAMO Cc1ccc(-c2n[nH]cc2CN2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000097095600 375516131 /nfs/dbraw/zinc/51/61/31/375516131.db2.gz RMTOIAKLZVQARC-CJNGLKHVSA-N 1 1 284.407 2.554 50 0 CFAAMO CC(=O)N1CC[N@@H+](Cc2cccc3[nH]ccc32)C(C)(C)C1 ZINC000097139150 375527022 /nfs/dbraw/zinc/52/70/22/375527022.db2.gz GRGGKVUQBPIQMR-UHFFFAOYSA-N 1 1 285.391 2.611 50 0 CFAAMO Cc1ncccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000097139209 375527813 /nfs/dbraw/zinc/52/78/13/375527813.db2.gz RMNMKCCQXVPCQK-HNNXBMFYSA-N 1 1 284.407 2.578 50 0 CFAAMO OCC[N@@H+](C/C=C\c1ccccc1)Cc1cccnc1 ZINC000098052956 375594565 /nfs/dbraw/zinc/59/45/65/375594565.db2.gz HQBKXSPSPBXOMU-UITAMQMPSA-N 1 1 268.360 2.589 50 0 CFAAMO Oc1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000097259327 375546730 /nfs/dbraw/zinc/54/67/30/375546730.db2.gz ASMUUJRLIBPHSM-AWEZNQCLSA-N 1 1 269.348 2.562 50 0 CFAAMO CCOc1ccccc1C[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000097307138 375548426 /nfs/dbraw/zinc/54/84/26/375548426.db2.gz QQLWVVLDNKQHTJ-AWEZNQCLSA-N 1 1 285.391 2.938 50 0 CFAAMO C[N@@H+](Cc1cccc2nonc21)C1CCSCC1 ZINC000097492457 375566878 /nfs/dbraw/zinc/56/68/78/375566878.db2.gz OAQLFXJSKUVGSC-UHFFFAOYSA-N 1 1 263.366 2.550 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2[nH]1)CC1(CO)CCCC1 ZINC000097713654 375581188 /nfs/dbraw/zinc/58/11/88/375581188.db2.gz YQHKYASUIZMCIY-UHFFFAOYSA-N 1 1 273.380 2.547 50 0 CFAAMO C[N@@H+](Cc1nc2ccccc2[nH]1)CC1(CO)CCCC1 ZINC000097713654 375581192 /nfs/dbraw/zinc/58/11/92/375581192.db2.gz YQHKYASUIZMCIY-UHFFFAOYSA-N 1 1 273.380 2.547 50 0 CFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000097732879 375582087 /nfs/dbraw/zinc/58/20/87/375582087.db2.gz IXQJXQXDUZKXKE-GFCCVEGCSA-N 1 1 287.411 2.560 50 0 CFAAMO C(=C\c1ccccc1)\C[N@@H+]1CCc2cncnc2C1 ZINC000101138759 375633814 /nfs/dbraw/zinc/63/38/14/375633814.db2.gz YEPICXMPOCFMGY-DAXSKMNVSA-N 1 1 251.333 2.548 50 0 CFAAMO C(=C\c1ccccc1)\C[N@H+]1CCc2cncnc2C1 ZINC000101138759 375633819 /nfs/dbraw/zinc/63/38/19/375633819.db2.gz YEPICXMPOCFMGY-DAXSKMNVSA-N 1 1 251.333 2.548 50 0 CFAAMO C[C@@H](CNC(=O)Nc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000111418846 375846677 /nfs/dbraw/zinc/84/66/77/375846677.db2.gz ODZVUSKBGDDZPP-AWEZNQCLSA-N 1 1 298.390 2.724 50 0 CFAAMO Cc1[nH+]cn(CCC(=O)Nc2ccc(F)cc2)c1C ZINC000112980680 375980561 /nfs/dbraw/zinc/98/05/61/375980561.db2.gz PMTLMALMBZKPCT-UHFFFAOYSA-N 1 1 261.300 2.668 50 0 CFAAMO c1ccc2c(c1)CC(N1CCC([NH2+]CC3CC3)CC1)C2 ZINC000133608773 377943263 /nfs/dbraw/zinc/94/32/63/377943263.db2.gz FGKCLUTYMVGLJD-UHFFFAOYSA-N 1 1 270.420 2.618 50 0 CFAAMO CC[N@@H+](Cc1nc(C2CC2)no1)[C@H]1CCOC(C)(C)C1 ZINC000329798690 378497406 /nfs/dbraw/zinc/49/74/06/378497406.db2.gz XOKOVQJBYFFQRW-LBPRGKRZSA-N 1 1 279.384 2.727 50 0 CFAAMO [NH3+]CC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000161134950 378824003 /nfs/dbraw/zinc/82/40/03/378824003.db2.gz WEPSSHGMTYBYBD-UHFFFAOYSA-N 1 1 256.752 2.650 50 0 CFAAMO COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CC1CCOCC1 ZINC000163251529 378962685 /nfs/dbraw/zinc/96/26/85/378962685.db2.gz SPWXAVBXTNBYOH-MRXNPFEDSA-N 1 1 291.391 2.568 50 0 CFAAMO COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CC1CCOCC1 ZINC000163251529 378962691 /nfs/dbraw/zinc/96/26/91/378962691.db2.gz SPWXAVBXTNBYOH-MRXNPFEDSA-N 1 1 291.391 2.568 50 0 CFAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000172575614 379599105 /nfs/dbraw/zinc/59/91/05/379599105.db2.gz LFKRFSRBTDZNQA-INIZCTEOSA-N 1 1 284.403 2.939 50 0 CFAAMO Cc1cnc(C)n1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000409420906 380959403 /nfs/dbraw/zinc/95/94/03/380959403.db2.gz BNUFMXYTLRFCIH-KRWDZBQOSA-N 1 1 284.407 2.807 50 0 CFAAMO Cc1cnc(C)n1C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000409420906 380959414 /nfs/dbraw/zinc/95/94/14/380959414.db2.gz BNUFMXYTLRFCIH-KRWDZBQOSA-N 1 1 284.407 2.807 50 0 CFAAMO Cc1cnc(C)n1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000409420907 380959736 /nfs/dbraw/zinc/95/97/36/380959736.db2.gz BNUFMXYTLRFCIH-QGZVFWFLSA-N 1 1 284.407 2.807 50 0 CFAAMO Cc1cnc(C)n1C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000409420907 380959744 /nfs/dbraw/zinc/95/97/44/380959744.db2.gz BNUFMXYTLRFCIH-QGZVFWFLSA-N 1 1 284.407 2.807 50 0 CFAAMO CCc1ccccc1C[N@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299761537 382043538 /nfs/dbraw/zinc/04/35/38/382043538.db2.gz UYWLFUXLRNZURD-FGTMMUONSA-N 1 1 289.419 2.753 50 0 CFAAMO Cc1nnc(CN2CCC[N@H+](C3CCCCC3)CC2)s1 ZINC000299759661 382044447 /nfs/dbraw/zinc/04/44/47/382044447.db2.gz MLORREHITOIPCW-UHFFFAOYSA-N 1 1 294.468 2.687 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)CCCOc1ccccc1 ZINC000299776187 382046710 /nfs/dbraw/zinc/04/67/10/382046710.db2.gz KTJPCDZTZJJXRW-UHFFFAOYSA-N 1 1 287.407 2.970 50 0 CFAAMO CC1=CC[N@@H+](C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299792634 382047964 /nfs/dbraw/zinc/04/79/64/382047964.db2.gz FYOITVLBQBTHAM-OAHLLOKOSA-N 1 1 270.376 2.692 50 0 CFAAMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188409570 382409974 /nfs/dbraw/zinc/40/99/74/382409974.db2.gz XGOYDKMWKBJYOC-CQSZACIVSA-N 1 1 277.318 2.826 50 0 CFAAMO CCn1cnnc1C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000195553484 382769818 /nfs/dbraw/zinc/76/98/18/382769818.db2.gz LCRYYLWUFUOCDB-WBMJQRKESA-N 1 1 270.380 2.630 50 0 CFAAMO CC(C)n1cc(C[N@@H+](C)CCC2(O)CCCC2)cn1 ZINC000215185172 382778062 /nfs/dbraw/zinc/77/80/62/382778062.db2.gz JTUUQRJWHZIECW-UHFFFAOYSA-N 1 1 265.401 2.591 50 0 CFAAMO CCc1ccc(C[N@@H+](C)C2CCSCC2)nc1 ZINC000215750898 382780304 /nfs/dbraw/zinc/78/03/04/382780304.db2.gz RVQZNGSEECJRPJ-UHFFFAOYSA-N 1 1 250.411 2.971 50 0 CFAAMO Fc1cccc(-n2cc(C[NH+]3CCSCC3)cn2)c1 ZINC000215805282 382780740 /nfs/dbraw/zinc/78/07/40/382780740.db2.gz PVBXPDKFOGIYJN-UHFFFAOYSA-N 1 1 277.368 2.560 50 0 CFAAMO Cc1cccc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C)C4)oc21 ZINC000215901800 382781365 /nfs/dbraw/zinc/78/13/65/382781365.db2.gz SDJIKFVEOGHREF-DZGCQCFKSA-N 1 1 298.386 2.907 50 0 CFAAMO Cc1ccc(-c2n[nH]cc2CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000221869179 382799839 /nfs/dbraw/zinc/79/98/39/382799839.db2.gz RMTOIAKLZVQARC-XJKSGUPXSA-N 1 1 284.407 2.554 50 0 CFAAMO C[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452586 382816258 /nfs/dbraw/zinc/81/62/58/382816258.db2.gz DCGRQDZZIZJCAL-ZDUSSCGKSA-N 1 1 257.736 2.683 50 0 CFAAMO C[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452586 382816260 /nfs/dbraw/zinc/81/62/60/382816260.db2.gz DCGRQDZZIZJCAL-ZDUSSCGKSA-N 1 1 257.736 2.683 50 0 CFAAMO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H](O)C2)o1 ZINC000225533949 382817819 /nfs/dbraw/zinc/81/78/19/382817819.db2.gz ICXQADLZAYYOHR-LBPRGKRZSA-N 1 1 275.323 2.961 50 0 CFAAMO O=C(NCCn1cc[nH+]c1C1CC1)Nc1ccc(F)cc1 ZINC000225567608 382818425 /nfs/dbraw/zinc/81/84/25/382818425.db2.gz UITALHVRFWOOOT-UHFFFAOYSA-N 1 1 288.326 2.721 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccnc1 ZINC000229555691 382852293 /nfs/dbraw/zinc/85/22/93/382852293.db2.gz NRNAWPNJVANNJB-RRQGHBQHSA-N 1 1 287.407 2.618 50 0 CFAAMO Cc1ccccc1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000229629789 382853188 /nfs/dbraw/zinc/85/31/88/382853188.db2.gz PFWVYWRZNIIWRJ-UKRRQHHQSA-N 1 1 274.408 2.845 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)no1 ZINC000230228846 382858049 /nfs/dbraw/zinc/85/80/49/382858049.db2.gz GCZRYGRNJSGZAR-CHWSQXEVSA-N 1 1 277.368 2.576 50 0 CFAAMO c1cncc(CCCN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000240936853 382982842 /nfs/dbraw/zinc/98/28/42/382982842.db2.gz SEWCASPRNLZNTO-UHFFFAOYSA-N 1 1 287.451 2.965 50 0 CFAAMO Cc1ccc(C)c([C@H](O)C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000242048153 382984754 /nfs/dbraw/zinc/98/47/54/382984754.db2.gz VTIIUUBKLZEWLN-CVEARBPZSA-N 1 1 277.408 2.572 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648788 382986511 /nfs/dbraw/zinc/98/65/11/382986511.db2.gz RIJFNUHYNBVLOZ-JLNYLFASSA-N 1 1 284.359 2.655 50 0 CFAAMO CNC(=O)C(C)(C)[N@H+](C)Cc1ccc([C@H]2CCCO2)s1 ZINC000243932125 382988347 /nfs/dbraw/zinc/98/83/47/382988347.db2.gz BTCWSRHACSYRTJ-GFCCVEGCSA-N 1 1 296.436 2.556 50 0 CFAAMO CNC(=O)C(C)(C)[N@@H+](C)Cc1ccc([C@H]2CCCO2)s1 ZINC000243932125 382988350 /nfs/dbraw/zinc/98/83/50/382988350.db2.gz BTCWSRHACSYRTJ-GFCCVEGCSA-N 1 1 296.436 2.556 50 0 CFAAMO CCCNC(=O)[C@H](C)[N@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244633696 382989766 /nfs/dbraw/zinc/98/97/66/382989766.db2.gz GHXFOBYJGPEOOG-ZDUSSCGKSA-N 1 1 287.407 2.823 50 0 CFAAMO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244633696 382989770 /nfs/dbraw/zinc/98/97/70/382989770.db2.gz GHXFOBYJGPEOOG-ZDUSSCGKSA-N 1 1 287.407 2.823 50 0 CFAAMO C[N@H+](CCC[C@@H]1CCCO1)Cc1nccn1C1CC1 ZINC000244796178 382992371 /nfs/dbraw/zinc/99/23/71/382992371.db2.gz RUKFIKZYGHMPIN-CQSZACIVSA-N 1 1 263.385 2.609 50 0 CFAAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1nccn1C1CC1 ZINC000244796178 382992373 /nfs/dbraw/zinc/99/23/73/382992373.db2.gz RUKFIKZYGHMPIN-CQSZACIVSA-N 1 1 263.385 2.609 50 0 CFAAMO Cc1nc(C[N@H+](C)CCC[C@@H]2CCCO2)cs1 ZINC000244858400 382992551 /nfs/dbraw/zinc/99/25/51/382992551.db2.gz VKLQMXGNEVPFKK-CYBMUJFWSA-N 1 1 254.399 2.843 50 0 CFAAMO Cc1nc(C[N@@H+](C)CCC[C@@H]2CCCO2)cs1 ZINC000244858400 382992556 /nfs/dbraw/zinc/99/25/56/382992556.db2.gz VKLQMXGNEVPFKK-CYBMUJFWSA-N 1 1 254.399 2.843 50 0 CFAAMO CCc1nc(CN2CCC[C@H]2c2ccc(F)cc2)n[nH]1 ZINC000244828601 382993326 /nfs/dbraw/zinc/99/33/26/382993326.db2.gz TZEBIONGGLYNHF-ZDUSSCGKSA-N 1 1 274.343 2.843 50 0 CFAAMO C[N@@H+](Cc1cncn1Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000244874191 382994381 /nfs/dbraw/zinc/99/43/81/382994381.db2.gz WWGGSNHNVXYHOU-SFHVURJKSA-N 1 1 299.418 2.932 50 0 CFAAMO C[N@H+](Cc1cncn1Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000244874191 382994384 /nfs/dbraw/zinc/99/43/84/382994384.db2.gz WWGGSNHNVXYHOU-SFHVURJKSA-N 1 1 299.418 2.932 50 0 CFAAMO Cc1nnc([C@H]2CCC[N@@H+](CCCc3ccco3)C2)[nH]1 ZINC000244874129 382994679 /nfs/dbraw/zinc/99/46/79/382994679.db2.gz WUWKUXOGHUNPIP-ZDUSSCGKSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@H+](CCCc3ccco3)C2)n1 ZINC000244874129 382994680 /nfs/dbraw/zinc/99/46/80/382994680.db2.gz WUWKUXOGHUNPIP-ZDUSSCGKSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCCc3ccco3)C2)n1 ZINC000244874129 382994682 /nfs/dbraw/zinc/99/46/82/382994682.db2.gz WUWKUXOGHUNPIP-ZDUSSCGKSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+](CCCc3ccco3)C2)n[nH]1 ZINC000244874129 382994684 /nfs/dbraw/zinc/99/46/84/382994684.db2.gz WUWKUXOGHUNPIP-ZDUSSCGKSA-N 1 1 274.368 2.518 50 0 CFAAMO Cc1nc([C@H]2CCC[N@@H+](CCCc3ccco3)C2)n[nH]1 ZINC000244874129 382994686 /nfs/dbraw/zinc/99/46/86/382994686.db2.gz WUWKUXOGHUNPIP-ZDUSSCGKSA-N 1 1 274.368 2.518 50 0 CFAAMO c1n[nH]cc1CC[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000244900046 382995442 /nfs/dbraw/zinc/99/54/42/382995442.db2.gz ZVDPURHPBDKLOA-KRWDZBQOSA-N 1 1 284.407 2.835 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](CCc2ccccc2)[C@@H](C)[C@H]1C ZINC000245257355 382996718 /nfs/dbraw/zinc/99/67/18/382996718.db2.gz YNNDIBSJMPQCKB-JKIFEVAISA-N 1 1 275.392 2.891 50 0 CFAAMO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247031244 383134716 /nfs/dbraw/zinc/13/47/16/383134716.db2.gz PHNYQWNEOKGUDD-JLSDUUJJSA-N 1 1 298.430 2.699 50 0 CFAAMO C[C@@H]1C[C@@H](NCc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118626 383114742 /nfs/dbraw/zinc/11/47/42/383114742.db2.gz WCFJVJDFJXUAKJ-HIFRSBDPSA-N 1 1 271.408 2.751 50 0 CFAAMO C[C@@H]1C[C@@H](NCc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118626 383114747 /nfs/dbraw/zinc/11/47/47/383114747.db2.gz WCFJVJDFJXUAKJ-HIFRSBDPSA-N 1 1 271.408 2.751 50 0 CFAAMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2ccsc2)C(=O)O1 ZINC000247831444 383196800 /nfs/dbraw/zinc/19/68/00/383196800.db2.gz LKUAXKZHHPOXPC-USWWRNFRSA-N 1 1 251.351 2.589 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccsc2)C(=O)O1 ZINC000247831444 383196804 /nfs/dbraw/zinc/19/68/04/383196804.db2.gz LKUAXKZHHPOXPC-USWWRNFRSA-N 1 1 251.351 2.589 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000248161021 383215961 /nfs/dbraw/zinc/21/59/61/383215961.db2.gz XMTXBSCSRYHILS-HUUCEWRRSA-N 1 1 294.345 2.664 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000248160958 383216019 /nfs/dbraw/zinc/21/60/19/383216019.db2.gz XLXLCEMQXVMLKW-UONOGXRCSA-N 1 1 294.345 2.664 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000249062783 383323963 /nfs/dbraw/zinc/32/39/63/383323963.db2.gz IEDCSKIRYDVMMG-DJIMGWMZSA-N 1 1 278.440 2.779 50 0 CFAAMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000249098799 383326667 /nfs/dbraw/zinc/32/66/67/383326667.db2.gz OZHFYBVNJNQYPR-CWRNSKLLSA-N 1 1 297.464 2.630 50 0 CFAAMO c1cc([C@H]2CCC[N@H+](CCn3cnc4ccccc43)C2)n[nH]1 ZINC000252505373 383415138 /nfs/dbraw/zinc/41/51/38/383415138.db2.gz VQOAZHBTSIFAKT-AWEZNQCLSA-N 1 1 295.390 2.639 50 0 CFAAMO c1cc([C@H]2CCC[N@@H+](CCn3cnc4ccccc43)C2)[nH]n1 ZINC000252505373 383415140 /nfs/dbraw/zinc/41/51/40/383415140.db2.gz VQOAZHBTSIFAKT-AWEZNQCLSA-N 1 1 295.390 2.639 50 0 CFAAMO c1cc([C@H]2CCC[N@H+](CCn3cnc4ccccc43)C2)[nH]n1 ZINC000252505373 383415142 /nfs/dbraw/zinc/41/51/42/383415142.db2.gz VQOAZHBTSIFAKT-AWEZNQCLSA-N 1 1 295.390 2.639 50 0 CFAAMO COCc1n[nH]c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000426431779 383400413 /nfs/dbraw/zinc/40/04/13/383400413.db2.gz JLJQYLWNKUCFLS-GFCCVEGCSA-N 1 1 286.379 2.775 50 0 CFAAMO CC1(C)CN(c2cc(N)[nH+]cn2)C[C@@H]1c1ccccc1 ZINC000426513704 383404370 /nfs/dbraw/zinc/40/43/70/383404370.db2.gz PTBOJZPLNQLQET-CYBMUJFWSA-N 1 1 268.364 2.689 50 0 CFAAMO C[N@@H+](CCCc1cccnc1)C[C@H]1Cc2ccccc2O1 ZINC000252481474 383411599 /nfs/dbraw/zinc/41/15/99/383411599.db2.gz CMUPOZKKLXZCIF-QGZVFWFLSA-N 1 1 282.387 2.950 50 0 CFAAMO O=C1CCCN1CC[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000252487700 383412926 /nfs/dbraw/zinc/41/29/26/383412926.db2.gz IACZLKFIBGVHIU-MRXNPFEDSA-N 1 1 290.382 2.975 50 0 CFAAMO Cc1nc(CN2CC([N@@H+]3CCCC[C@H]3C)C2)cs1 ZINC000252489617 383413035 /nfs/dbraw/zinc/41/30/35/383413035.db2.gz JUVPONZZZFLMCX-LLVKDONJSA-N 1 1 265.426 2.510 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccsc1 ZINC000249685239 383355946 /nfs/dbraw/zinc/35/59/46/383355946.db2.gz FPOZPKDBTRNYFN-ZIAGYGMSSA-N 1 1 278.421 2.837 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000249691126 383356000 /nfs/dbraw/zinc/35/60/00/383356000.db2.gz LBYAHKCQUBZAAZ-ARFHVFGLSA-N 1 1 276.424 2.818 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccs1 ZINC000249700020 383356452 /nfs/dbraw/zinc/35/64/52/383356452.db2.gz XEOLJAKNIMBNBW-QWHCGFSZSA-N 1 1 278.421 2.837 50 0 CFAAMO Cc1nccn1CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000252499203 383413999 /nfs/dbraw/zinc/41/39/99/383413999.db2.gz RWYNFCWGZFGTDV-INIZCTEOSA-N 1 1 270.380 2.814 50 0 CFAAMO O[C@H](C[N@H+]1CCC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000253369791 383452059 /nfs/dbraw/zinc/45/20/59/383452059.db2.gz IDVFDBRLLWXNQP-NWDGAFQWSA-N 1 1 277.261 2.886 50 0 CFAAMO COC[C@H]1CCC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000253393296 383454702 /nfs/dbraw/zinc/45/47/02/383454702.db2.gz YZNGYNJFPLSVNR-HOCLYGCPSA-N 1 1 263.381 2.733 50 0 CFAAMO c1cn(CCC[N@H+]2CCO[C@@H](C3CCCCC3)C2)cn1 ZINC000253427091 383459080 /nfs/dbraw/zinc/45/90/80/383459080.db2.gz DDJHDHAJTHHMTI-MRXNPFEDSA-N 1 1 277.412 2.554 50 0 CFAAMO CC(=O)N1CC[N@@H+](C[C@H]2CCC=CO2)CC12CCCCC2 ZINC000253429313 383459575 /nfs/dbraw/zinc/45/95/75/383459575.db2.gz SRJJCNJPEHQKRJ-MRXNPFEDSA-N 1 1 292.423 2.546 50 0 CFAAMO C[C@H](C[S@](C)=O)[N@@H+](C)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252549034 383419322 /nfs/dbraw/zinc/41/93/22/383419322.db2.gz QQBHOFARDQATET-ACQVZOFHSA-N 1 1 285.375 2.806 50 0 CFAAMO Cc1c[nH+]c(CC[C@@H]2CCCN2C(=O)C(C)(C)C)n1C ZINC000257175448 383489761 /nfs/dbraw/zinc/48/97/61/383489761.db2.gz PEKZLVVPELUMEQ-ZDUSSCGKSA-N 1 1 277.412 2.698 50 0 CFAAMO O=C(c1ccco1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000257176933 383489813 /nfs/dbraw/zinc/48/98/13/383489813.db2.gz DFSPWKZQGCZGEV-HZPDHXFCSA-N 1 1 296.370 2.626 50 0 CFAAMO O=C(c1ccco1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000257176933 383489815 /nfs/dbraw/zinc/48/98/15/383489815.db2.gz DFSPWKZQGCZGEV-HZPDHXFCSA-N 1 1 296.370 2.626 50 0 CFAAMO CCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)NC(C)C)C1 ZINC000257191582 383492225 /nfs/dbraw/zinc/49/22/25/383492225.db2.gz PVPAQJKYAHHNEI-ZDUSSCGKSA-N 1 1 278.400 2.509 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280348907 384983243 /nfs/dbraw/zinc/98/32/43/384983243.db2.gz IEGMFNHXAZMZLV-YCPHGPKFSA-N 1 1 261.365 2.627 50 0 CFAAMO C[N@@H+](CCOC[C@H]1CCCO1)Cc1ccc(F)c(F)c1 ZINC000096421063 256760954 /nfs/dbraw/zinc/76/09/54/256760954.db2.gz DRGBEOGUPDAYBY-CYBMUJFWSA-N 1 1 285.334 2.592 50 0 CFAAMO COc1ccc(C2(CNc3cc(N)[nH+]cn3)CCCC2)cc1 ZINC000824654026 781994781 /nfs/dbraw/zinc/99/47/81/781994781.db2.gz CDSCGDMCLSVHHV-UHFFFAOYSA-N 1 1 298.390 2.991 50 0 CFAAMO COc1ccc(C2(CNc3cc(N)nc[nH+]3)CCCC2)cc1 ZINC000824654026 781994786 /nfs/dbraw/zinc/99/47/86/781994786.db2.gz CDSCGDMCLSVHHV-UHFFFAOYSA-N 1 1 298.390 2.991 50 0 CFAAMO CC[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1c1ccccc1 ZINC000241326154 131080252 /nfs/dbraw/zinc/08/02/52/131080252.db2.gz LZQBVWKWBCVNTA-DOTOQJQBSA-N 1 1 284.407 2.794 50 0 CFAAMO COc1cc2c(cc1C[N@@H+](C)CCCn1cccn1)CCC2 ZINC000824616705 781995299 /nfs/dbraw/zinc/99/52/99/781995299.db2.gz HJJCUCFLIPEXIK-UHFFFAOYSA-N 1 1 299.418 2.903 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)NC1CCCCCC1 ZINC000006007981 393462920 /nfs/dbraw/zinc/46/29/20/393462920.db2.gz CHVNFIJIWPRKTE-ZDUSSCGKSA-N 1 1 252.402 2.700 50 0 CFAAMO COc1cc(Cl)c(C)cc1NC(=O)Cn1cc[nH+]c1C ZINC000029937671 393504852 /nfs/dbraw/zinc/50/48/52/393504852.db2.gz KDIZHOJILYOYLV-UHFFFAOYSA-N 1 1 293.754 2.801 50 0 CFAAMO Cc1cc([C@H]2CCCN2c2cc(C)[nH+]c(C)n2)no1 ZINC000044725050 393566924 /nfs/dbraw/zinc/56/69/24/393566924.db2.gz JBNSFXRZFSITSP-CYBMUJFWSA-N 1 1 258.325 2.731 50 0 CFAAMO CC(C)CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000053392033 393619327 /nfs/dbraw/zinc/61/93/27/393619327.db2.gz QKJUGQMOVOZXMO-CYBMUJFWSA-N 1 1 254.418 2.659 50 0 CFAAMO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)[C@@H]1CCCO1 ZINC000096491740 393834894 /nfs/dbraw/zinc/83/48/94/393834894.db2.gz LTOHEWCDCPPCSW-CVEARBPZSA-N 1 1 268.445 2.654 50 0 CFAAMO CC1CCC(C[N@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000091896344 393785170 /nfs/dbraw/zinc/78/51/70/393785170.db2.gz GHEFVYBGBNDMHZ-UHFFFAOYSA-N 1 1 267.413 2.694 50 0 CFAAMO CC(C)CO[C@H]1C[C@H]([N@@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009223 393813965 /nfs/dbraw/zinc/81/39/65/393813965.db2.gz QEYALEIOZVTYGS-GJZGRUSLSA-N 1 1 296.455 2.556 50 0 CFAAMO CC[C@H]1CN(C/C=C\c2ccccc2)CC[N@H+]1CCOC ZINC000096295239 393818692 /nfs/dbraw/zinc/81/86/92/393818692.db2.gz FZFZXVGZUCIDDD-VOCYLRNQSA-N 1 1 288.435 2.742 50 0 CFAAMO Cc1cccc(NC2CC[NH+]([C@H]3C[C@@H](C)OC3=O)CC2)c1 ZINC000096421216 393828166 /nfs/dbraw/zinc/82/81/66/393828166.db2.gz FYKLYBZWWIUIEZ-CJNGLKHVSA-N 1 1 288.391 2.575 50 0 CFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC000096432450 393832793 /nfs/dbraw/zinc/83/27/93/393832793.db2.gz JAQHZORBDHAHRD-STQMWFEESA-N 1 1 280.437 2.652 50 0 CFAAMO Cc1cccc(C2(NC(=O)C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000426387345 393888262 /nfs/dbraw/zinc/88/82/62/393888262.db2.gz WNGVYYXECLREHC-INIZCTEOSA-N 1 1 286.419 2.975 50 0 CFAAMO Cc1cccc(C2(NC(=O)C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000426387346 393888322 /nfs/dbraw/zinc/88/83/22/393888322.db2.gz WNGVYYXECLREHC-MRXNPFEDSA-N 1 1 286.419 2.975 50 0 CFAAMO C[C@H](c1ccc(-c2cnsn2)cc1)[NH+]1CCOCC1 ZINC000426490513 393888517 /nfs/dbraw/zinc/88/85/17/393888517.db2.gz PTDJUBBKUQVXAT-LLVKDONJSA-N 1 1 275.377 2.598 50 0 CFAAMO COCCCN1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000252486267 393935445 /nfs/dbraw/zinc/93/54/45/393935445.db2.gz HLGONIWBYQGTHY-QLPKVWCKSA-N 1 1 282.472 2.902 50 0 CFAAMO C[C@@H]1CCN(c2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000266198403 393980188 /nfs/dbraw/zinc/98/01/88/393980188.db2.gz INXNERIAPVQRCT-OAHLLOKOSA-N 1 1 282.391 2.577 50 0 CFAAMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc2cc[nH]c21 ZINC000130569665 394113992 /nfs/dbraw/zinc/11/39/92/394113992.db2.gz UVORFXPQXMSNHF-UHFFFAOYSA-N 1 1 296.374 2.835 50 0 CFAAMO CCc1nc(C[N@@H+]([C@H](C)CO)C2CCCC2)cs1 ZINC000170607233 394371547 /nfs/dbraw/zinc/37/15/47/394371547.db2.gz DTUSIRTVCUOTNJ-LLVKDONJSA-N 1 1 268.426 2.831 50 0 CFAAMO c1cn(Cc2cnc3ccccc3n2)c(C2CC2)[nH+]1 ZINC000530130969 394458194 /nfs/dbraw/zinc/45/81/94/394458194.db2.gz VEUKQYMRRLDKKV-UHFFFAOYSA-N 1 1 250.305 2.752 50 0 CFAAMO COc1ncc(C[N@@H+](C)CCn2ccc3ccccc32)cn1 ZINC000824851750 781998548 /nfs/dbraw/zinc/99/85/48/781998548.db2.gz CJBANUOCWAGEEI-UHFFFAOYSA-N 1 1 296.374 2.572 50 0 CFAAMO COc1ncc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000824851794 781998930 /nfs/dbraw/zinc/99/89/30/781998930.db2.gz HSBSPLIZNWVGSR-CQSZACIVSA-N 1 1 287.338 2.614 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccccc2)ccn1 ZINC000047013062 397583740 /nfs/dbraw/zinc/58/37/40/397583740.db2.gz UOMMYRWZZVCPPL-UHFFFAOYSA-N 1 1 292.342 2.506 50 0 CFAAMO Cc1cc2nc(N3CC[NH+](C)CC3)sc2cc1C ZINC000012230102 397538255 /nfs/dbraw/zinc/53/82/55/397538255.db2.gz HACAJRNMKAOVSV-UHFFFAOYSA-N 1 1 261.394 2.665 50 0 CFAAMO C[N@@H+]1CCN(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C1 ZINC000048347467 397588938 /nfs/dbraw/zinc/58/89/38/397588938.db2.gz FUDHKVRNKUXEAO-OAHLLOKOSA-N 1 1 296.374 2.602 50 0 CFAAMO C[N@H+]1CCN(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C1 ZINC000048347467 397588941 /nfs/dbraw/zinc/58/89/41/397588941.db2.gz FUDHKVRNKUXEAO-OAHLLOKOSA-N 1 1 296.374 2.602 50 0 CFAAMO Cc1cc(C)nc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000108474929 397598053 /nfs/dbraw/zinc/59/80/53/397598053.db2.gz PJCCZRKVSFOUIU-TZMCWYRMSA-N 1 1 290.411 2.502 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)C12CCC2 ZINC000108324377 397598090 /nfs/dbraw/zinc/59/80/90/397598090.db2.gz AWTPMGAGJUTLCY-CQJMVSDSSA-N 1 1 280.456 2.652 50 0 CFAAMO Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000215151850 397619444 /nfs/dbraw/zinc/61/94/44/397619444.db2.gz WWJXPYFQYNWQJK-CYBMUJFWSA-N 1 1 280.799 2.863 50 0 CFAAMO C[C@@H]([NH2+][C@H](C)c1ccco1)C(=O)NC1CCCCC1 ZINC000035139207 287063318 /nfs/dbraw/zinc/06/33/18/287063318.db2.gz JMDASRLLPPSZRH-VXGBXAGGSA-N 1 1 264.369 2.768 50 0 CFAAMO CC[C@@H]1C[N@@H+](CCSC(C)(C)C)C[C@@]2(CCOC2)O1 ZINC000252489601 287196491 /nfs/dbraw/zinc/19/64/91/287196491.db2.gz JUQMONLPBJRHHO-UKRRQHHQSA-N 1 1 287.469 2.788 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000003003085 169848886 /nfs/dbraw/zinc/84/88/86/169848886.db2.gz DCDAFJIPLAOGCH-OAHLLOKOSA-N 1 1 263.381 2.814 50 0 CFAAMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000004760336 170012760 /nfs/dbraw/zinc/01/27/60/170012760.db2.gz ZHMISQRQHZSXRG-HNNXBMFYSA-N 1 1 275.396 2.909 50 0 CFAAMO CCOc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000004793326 170018225 /nfs/dbraw/zinc/01/82/25/170018225.db2.gz AIGJJWNDTROXPW-UHFFFAOYSA-N 1 1 262.353 2.510 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000004840719 170027534 /nfs/dbraw/zinc/02/75/34/170027534.db2.gz VBSBUCSNUPIRFV-UHFFFAOYSA-N 1 1 267.760 2.509 50 0 CFAAMO COc1cccc(C=O)c1OCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004870079 170034806 /nfs/dbraw/zinc/03/48/06/170034806.db2.gz YWQUOYDUMPEZAE-OKILXGFUSA-N 1 1 291.391 2.864 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000005060252 170062349 /nfs/dbraw/zinc/06/23/49/170062349.db2.gz GYOYWSFAJRQPOR-UHFFFAOYSA-N 1 1 285.750 2.649 50 0 CFAAMO C[N@@H+]([C@H]1CC(=O)N(c2ccccc2)C1=O)C1CCCCC1 ZINC000005719603 170132658 /nfs/dbraw/zinc/13/26/58/170132658.db2.gz FKFWODBWXIEGEP-HNNXBMFYSA-N 1 1 286.375 2.583 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC000005912247 170154307 /nfs/dbraw/zinc/15/43/07/170154307.db2.gz RMVNPEWAEINXLO-QLFBSQMISA-N 1 1 263.381 2.689 50 0 CFAAMO O=C(C[NH+]1CCCCC1)OCCCc1ccccc1 ZINC000006344175 170194367 /nfs/dbraw/zinc/19/43/67/170194367.db2.gz HYUYUJJHNZFFFW-UHFFFAOYSA-N 1 1 261.365 2.648 50 0 CFAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000006556678 170213402 /nfs/dbraw/zinc/21/34/02/170213402.db2.gz VXWCVTFAHVMOOZ-ZBFHGGJFSA-N 1 1 277.408 2.775 50 0 CFAAMO Clc1cc(C[NH2+]Cc2ccco2)cc2c1OCCO2 ZINC000006650852 170222403 /nfs/dbraw/zinc/22/24/03/170222403.db2.gz YOJVYZDOTLIBIG-UHFFFAOYSA-N 1 1 279.723 2.994 50 0 CFAAMO COc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000006731084 170235606 /nfs/dbraw/zinc/23/56/06/170235606.db2.gz IFAVUKIIXHMDDE-LBPRGKRZSA-N 1 1 262.353 2.508 50 0 CFAAMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006742348 170238236 /nfs/dbraw/zinc/23/82/36/170238236.db2.gz BYCANJZNVQQBMF-ZDUSSCGKSA-N 1 1 276.380 2.756 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000007636287 170294436 /nfs/dbraw/zinc/29/44/36/170294436.db2.gz VFTQWCJTJYHRER-SFHVURJKSA-N 1 1 297.398 2.793 50 0 CFAAMO Cc1ccc2nc(C[N@H+](C)Cc3ccsc3)cc(=O)n2c1 ZINC000007927009 170308246 /nfs/dbraw/zinc/30/82/46/170308246.db2.gz QOEAAGFXMFSGCG-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO Cc1ccc2nc(C[N@@H+](C)Cc3ccsc3)cc(=O)n2c1 ZINC000007927009 170308247 /nfs/dbraw/zinc/30/82/47/170308247.db2.gz QOEAAGFXMFSGCG-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO Cc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000009155947 170364994 /nfs/dbraw/zinc/36/49/94/170364994.db2.gz QJHLUIQACYTESA-UHFFFAOYSA-N 1 1 268.360 2.726 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)no1 ZINC000009450689 170376904 /nfs/dbraw/zinc/37/69/04/170376904.db2.gz INHCINWCDZXMCZ-LLVKDONJSA-N 1 1 291.326 2.754 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)no1 ZINC000009450689 170376906 /nfs/dbraw/zinc/37/69/06/170376906.db2.gz INHCINWCDZXMCZ-LLVKDONJSA-N 1 1 291.326 2.754 50 0 CFAAMO C[NH+]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000020220107 171081759 /nfs/dbraw/zinc/08/17/59/171081759.db2.gz IFAZZFVXJSATQJ-UHFFFAOYSA-N 1 1 288.178 2.773 50 0 CFAAMO O[C@@H](C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000020218789 171082501 /nfs/dbraw/zinc/08/25/01/171082501.db2.gz OMKPBKIXBACXLH-IBGZPJMESA-N 1 1 296.414 2.538 50 0 CFAAMO c1c[nH]c(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000020234990 171095088 /nfs/dbraw/zinc/09/50/88/171095088.db2.gz LXQYIIZUSFFAKH-HNNXBMFYSA-N 1 1 276.428 2.544 50 0 CFAAMO CC[C@@H]1CCC[N@@H+]1Cn1cnc2c3ccccc3[nH]c2c1=O ZINC000020438301 171203005 /nfs/dbraw/zinc/20/30/05/171203005.db2.gz IZWZFHSUSMQVQX-GFCCVEGCSA-N 1 1 296.374 2.710 50 0 CFAAMO CC[C@@H]1CCC[N@H+]1Cn1cnc2c3ccccc3[nH]c2c1=O ZINC000020438301 171203007 /nfs/dbraw/zinc/20/30/07/171203007.db2.gz IZWZFHSUSMQVQX-GFCCVEGCSA-N 1 1 296.374 2.710 50 0 CFAAMO CC(C)Oc1cccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020652976 171268874 /nfs/dbraw/zinc/26/88/74/171268874.db2.gz VITBNTOTHBSZCC-HUUCEWRRSA-N 1 1 293.407 2.962 50 0 CFAAMO Cc1ccc(SCCC[NH+]2CCOCC2)cc1 ZINC000020653029 171269061 /nfs/dbraw/zinc/26/90/61/171269061.db2.gz NPTPWUUCDCCKSN-UHFFFAOYSA-N 1 1 251.395 2.809 50 0 CFAAMO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccncc2)on1 ZINC000035511261 172242613 /nfs/dbraw/zinc/24/26/13/172242613.db2.gz FRSNHMLUBXKWBV-AWEZNQCLSA-N 1 1 257.337 2.969 50 0 CFAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2ccncc2)on1 ZINC000035511261 172242614 /nfs/dbraw/zinc/24/26/14/172242614.db2.gz FRSNHMLUBXKWBV-AWEZNQCLSA-N 1 1 257.337 2.969 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000106077623 287271033 /nfs/dbraw/zinc/27/10/33/287271033.db2.gz QFJKRIBSYITRKW-ZYHUDNBSSA-N 1 1 293.238 2.561 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000195560415 287283963 /nfs/dbraw/zinc/28/39/63/287283963.db2.gz VQPBCXLSNVDNAQ-HUUCEWRRSA-N 1 1 267.413 2.694 50 0 CFAAMO COc1ccc(OC)c2c1C[N@H+](Cc1ccccc1)C[C@@H]2O ZINC000040012127 174182499 /nfs/dbraw/zinc/18/24/99/174182499.db2.gz QOKNSLIARYMGLR-HNNXBMFYSA-N 1 1 299.370 2.753 50 0 CFAAMO COc1ccc(OC)c2c1C[N@@H+](Cc1ccccc1)C[C@@H]2O ZINC000040012127 174182500 /nfs/dbraw/zinc/18/25/00/174182500.db2.gz QOKNSLIARYMGLR-HNNXBMFYSA-N 1 1 299.370 2.753 50 0 CFAAMO C[NH2+]C[C@H]1CCCN([C@H](C)c2cccc(OC)c2)C1 ZINC000040592876 174347806 /nfs/dbraw/zinc/34/78/06/174347806.db2.gz RRFBGSKHALYDPT-ZIAGYGMSSA-N 1 1 262.397 2.688 50 0 CFAAMO C[C@@H]1CCC[C@](C[NH2+]Cc2ccncc2)(N(C)C)C1 ZINC000040668181 174367389 /nfs/dbraw/zinc/36/73/89/174367389.db2.gz RZICBPDAFBPELA-ZBFHGGJFSA-N 1 1 261.413 2.682 50 0 CFAAMO CCOc1cc(C[NH2+]CCCN(C)C)ccc1OC(C)C ZINC000040719582 174385199 /nfs/dbraw/zinc/38/51/99/174385199.db2.gz JNOZARLHZFDSLX-UHFFFAOYSA-N 1 1 294.439 2.914 50 0 CFAAMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCCOc1ccc(F)cc1 ZINC000045785143 175383686 /nfs/dbraw/zinc/38/36/86/175383686.db2.gz ZEXGNYPGIWZEGZ-OLZOCXBDSA-N 1 1 267.344 2.704 50 0 CFAAMO CCC[C@H](C)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045943612 175387426 /nfs/dbraw/zinc/38/74/26/175387426.db2.gz CLDAGOJUBBAKRX-NSHDSACASA-N 1 1 260.341 2.752 50 0 CFAAMO C[NH+](C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCC1 ZINC000046078197 175391992 /nfs/dbraw/zinc/39/19/92/175391992.db2.gz UDGSITFXRXPNPX-UHFFFAOYSA-N 1 1 291.786 2.647 50 0 CFAAMO CCC[N@@H+](C[C@H](O)COCc1ccccc1F)CC1CC1 ZINC000046342108 175395604 /nfs/dbraw/zinc/39/56/04/175395604.db2.gz NBKFGAZKOSYAIQ-INIZCTEOSA-N 1 1 295.398 2.825 50 0 CFAAMO CC(C)=CC[N@H+]1CCCC[C@H]1Cn1nc(C)nc1C ZINC000069815265 175855553 /nfs/dbraw/zinc/85/55/53/175855553.db2.gz LRKMVSLEFAPMMG-HNNXBMFYSA-N 1 1 262.401 2.716 50 0 CFAAMO Fc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1F ZINC000071681293 176245352 /nfs/dbraw/zinc/24/53/52/176245352.db2.gz XJPNJXQSIAZYOR-ZDUSSCGKSA-N 1 1 280.362 2.786 50 0 CFAAMO C[C@H](c1ccncc1)[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000071746046 176258059 /nfs/dbraw/zinc/25/80/59/176258059.db2.gz LCTKHEUPCMJBRW-GFCCVEGCSA-N 1 1 270.380 2.886 50 0 CFAAMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000071746046 176258060 /nfs/dbraw/zinc/25/80/60/176258060.db2.gz LCTKHEUPCMJBRW-GFCCVEGCSA-N 1 1 270.380 2.886 50 0 CFAAMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000071797184 176265159 /nfs/dbraw/zinc/26/51/59/176265159.db2.gz FGDUVWRMGWZXTO-OAHLLOKOSA-N 1 1 259.328 2.896 50 0 CFAAMO Cc1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)s1 ZINC000071870420 176283157 /nfs/dbraw/zinc/28/31/57/176283157.db2.gz JLAMTFAVYZQOQM-GJZGRUSLSA-N 1 1 292.448 2.684 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2CC2(O)CCCCC2)n1 ZINC000071877000 176286173 /nfs/dbraw/zinc/28/61/73/176286173.db2.gz XTVJCVGFMGHEIW-MRXNPFEDSA-N 1 1 291.439 2.660 50 0 CFAAMO Cc1[nH+]ccn1CCCC(=O)Nc1ccn(C(C)(C)C)n1 ZINC000071885829 176289644 /nfs/dbraw/zinc/28/96/44/176289644.db2.gz VWCCRSCBTZVGFP-UHFFFAOYSA-N 1 1 289.383 2.562 50 0 CFAAMO CCNC(=O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000072125316 176320717 /nfs/dbraw/zinc/32/07/17/176320717.db2.gz UWLKVLIUPAHXCB-MRXNPFEDSA-N 1 1 274.408 2.610 50 0 CFAAMO c1ccc([C@H]2CCC[N@@H+]2Cc2cccc3nonc32)nc1 ZINC000072146609 176325014 /nfs/dbraw/zinc/32/50/14/176325014.db2.gz FLKCLJOKBYWQNW-OAHLLOKOSA-N 1 1 280.331 2.955 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 ZINC000072351955 176374467 /nfs/dbraw/zinc/37/44/67/176374467.db2.gz HSCGBXMJOJGCPL-HNNXBMFYSA-N 1 1 285.395 2.515 50 0 CFAAMO CC1(O)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000002548787 276171404 /nfs/dbraw/zinc/17/14/04/276171404.db2.gz BCVZHHLJPZIBCC-UHFFFAOYSA-N 1 1 253.345 2.843 50 0 CFAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC=C(C)CC1 ZINC000252480272 276254369 /nfs/dbraw/zinc/25/43/69/276254369.db2.gz BZFYCHGPNIQVOI-KRWDZBQOSA-N 1 1 284.403 2.612 50 0 CFAAMO CC(C)CC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC000095415855 277367199 /nfs/dbraw/zinc/36/71/99/277367199.db2.gz FAJJQVFUSRMVIA-CQSZACIVSA-N 1 1 250.390 2.569 50 0 CFAAMO C[C@@H](C(N)=O)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000229358068 278218109 /nfs/dbraw/zinc/21/81/09/278218109.db2.gz MRDZRNNDCOVKEW-SUMWQHHRSA-N 1 1 280.371 2.508 50 0 CFAAMO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942260 278262213 /nfs/dbraw/zinc/26/22/13/278262213.db2.gz GNLNYDMSBAMWIL-GJZGRUSLSA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942260 278262215 /nfs/dbraw/zinc/26/22/15/278262215.db2.gz GNLNYDMSBAMWIL-GJZGRUSLSA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1N(C)C ZINC000093942260 278262216 /nfs/dbraw/zinc/26/22/16/278262216.db2.gz GNLNYDMSBAMWIL-GJZGRUSLSA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@H](C(=O)N(C)C)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000369961358 279181948 /nfs/dbraw/zinc/18/19/48/279181948.db2.gz KOVUKBFSDPFCMG-LLVKDONJSA-N 1 1 296.361 2.621 50 0 CFAAMO CC[C@H](C1N=NC(=S)N1c1ccc(OC)cc1)[NH+](C)C ZINC000020267828 288172696 /nfs/dbraw/zinc/17/26/96/288172696.db2.gz UTPHCUBHEWXMLE-GFCCVEGCSA-N 1 1 292.408 2.577 50 0 CFAAMO Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000058216833 280273163 /nfs/dbraw/zinc/27/31/63/280273163.db2.gz CMZFWYYMPLSVNI-LBPRGKRZSA-N 1 1 284.359 2.708 50 0 CFAAMO C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@]2(CCCOC2)O1 ZINC000253424808 297083335 /nfs/dbraw/zinc/08/33/35/297083335.db2.gz HOFYJEDVKMCTEX-RISCZKNCSA-N 1 1 282.771 2.509 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)c2ccc(O)cc2C)CCCC1 ZINC000534636966 328334021 /nfs/dbraw/zinc/33/40/21/328334021.db2.gz VNDYOYQAKYKRSR-UHFFFAOYSA-N 1 1 290.407 2.695 50 0 CFAAMO C[C@@H]1C[N@@H+](CCSCc2ccccc2)CC[C@@H]1O ZINC000192797231 324065116 /nfs/dbraw/zinc/06/51/16/324065116.db2.gz HSOQKXXJDBRQPB-HIFRSBDPSA-N 1 1 265.422 2.623 50 0 CFAAMO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccncc1 ZINC000195561975 324109122 /nfs/dbraw/zinc/10/91/22/324109122.db2.gz WYVDQOJTSNRCNQ-UHFFFAOYSA-N 1 1 258.369 2.734 50 0 CFAAMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccncc1 ZINC000195561975 324109123 /nfs/dbraw/zinc/10/91/23/324109123.db2.gz WYVDQOJTSNRCNQ-UHFFFAOYSA-N 1 1 258.369 2.734 50 0 CFAAMO COc1ccc(Cl)cc1Nc1cc(C)[nH+]c(N)n1 ZINC000072437553 327110500 /nfs/dbraw/zinc/11/05/00/327110500.db2.gz IRDDPFLTAOUWCW-UHFFFAOYSA-N 1 1 264.716 2.773 50 0 CFAAMO C=Cc1cccc(CN2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000067982183 519319297 /nfs/dbraw/zinc/31/92/97/519319297.db2.gz KAVJYLYAXPRMAL-DLBZAZTESA-N 1 1 256.393 2.998 50 0 CFAAMO C=Cc1cccc(C[N@@H+]2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000067982183 519319305 /nfs/dbraw/zinc/31/93/05/519319305.db2.gz KAVJYLYAXPRMAL-DLBZAZTESA-N 1 1 256.393 2.998 50 0 CFAAMO C=Cc1cccc(C[N@H+]2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000067982183 519319317 /nfs/dbraw/zinc/31/93/17/519319317.db2.gz KAVJYLYAXPRMAL-DLBZAZTESA-N 1 1 256.393 2.998 50 0 CFAAMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335190468 520559081 /nfs/dbraw/zinc/55/90/81/520559081.db2.gz DSCQDBSJQINNRY-SNVBAGLBSA-N 1 1 257.761 2.916 50 0 CFAAMO CCOC1CC2(C1)CC[N@@H+](Cc1cncs1)C2 ZINC000367699715 521654141 /nfs/dbraw/zinc/65/41/41/521654141.db2.gz IUDVDEFIVSYEJB-UHFFFAOYSA-N 1 1 252.383 2.534 50 0 CFAAMO Cc1cc(OCC[N@H+](C)CC(=O)N(C)C)ccc1C(C)C ZINC000061785096 525369077 /nfs/dbraw/zinc/36/90/77/525369077.db2.gz KGJMMUNVWUTZON-UHFFFAOYSA-N 1 1 292.423 2.517 50 0 CFAAMO Cc1cc(OCC[N@@H+](C)CC(=O)N(C)C)ccc1C(C)C ZINC000061785096 525369084 /nfs/dbraw/zinc/36/90/84/525369084.db2.gz KGJMMUNVWUTZON-UHFFFAOYSA-N 1 1 292.423 2.517 50 0 CFAAMO CC[N@@H+](C)C[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000096441398 527824147 /nfs/dbraw/zinc/82/41/47/527824147.db2.gz JTQXFMJXLNTDMN-GFCCVEGCSA-N 1 1 261.287 2.865 50 0 CFAAMO CC(C)n1cncc1C[N@@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC000097743481 528619357 /nfs/dbraw/zinc/61/93/57/528619357.db2.gz AZCZNLFGLIURJT-CYBMUJFWSA-N 1 1 265.401 2.853 50 0 CFAAMO CCS[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000096451433 529215713 /nfs/dbraw/zinc/21/57/13/529215713.db2.gz RZVCHSSRZLYOAZ-QWHCGFSZSA-N 1 1 272.458 2.507 50 0 CFAAMO CC(=O)c1cc(CN(C)CC[N@@H+](C)C2CCCC2)n(C)c1 ZINC000952966382 614248274 /nfs/dbraw/zinc/24/82/74/614248274.db2.gz SWVWIKDSKDJSII-UHFFFAOYSA-N 1 1 291.439 2.534 50 0 CFAAMO CCCCc1nc(C[NH2+]CCCn2nc(C)cc2C)c[nH]1 ZINC000952972544 614491110 /nfs/dbraw/zinc/49/11/10/614491110.db2.gz VXMMCCQPIFOPOO-UHFFFAOYSA-N 1 1 289.427 2.746 50 0 CFAAMO CCn1nnc(C)c1C[N@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000952992734 615743130 /nfs/dbraw/zinc/74/31/30/615743130.db2.gz CABZJIHUNCCMPS-OAHLLOKOSA-N 1 1 299.422 2.771 50 0 CFAAMO CCn1ccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)n1 ZINC000952971914 616032261 /nfs/dbraw/zinc/03/22/61/616032261.db2.gz LTWULSYSUWCRHC-CQSZACIVSA-N 1 1 295.390 2.940 50 0 CFAAMO CCO[P@](C)(=O)C[NH+](C)C[P@@](C)(=O)OCC ZINC000022016590 617939303 /nfs/dbraw/zinc/93/93/03/617939303.db2.gz ZBEBMYYKVDEPRF-HOTGVXAUSA-N 1 1 271.234 2.722 50 0 CFAAMO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@H]2CO)o1 ZINC000022077696 617962306 /nfs/dbraw/zinc/96/23/06/617962306.db2.gz QFFWDZSLUXPINE-TZMCWYRMSA-N 1 1 251.370 2.928 50 0 CFAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078319 617962537 /nfs/dbraw/zinc/96/25/37/617962537.db2.gz CCKDFFOOFQYJFW-XHDPSFHLSA-N 1 1 266.335 2.633 50 0 CFAAMO CC(C)CCN1CC[N@H+](C2CCCCC2)C[C@H]1CCO ZINC000257371915 618253446 /nfs/dbraw/zinc/25/34/46/618253446.db2.gz HVZIPUYGFMSRMU-QGZVFWFLSA-N 1 1 282.472 2.734 50 0 CFAAMO CC(C)CC[N@@H+]1CCN(C2CCCCC2)C[C@H]1CCO ZINC000257371915 618253448 /nfs/dbraw/zinc/25/34/48/618253448.db2.gz HVZIPUYGFMSRMU-QGZVFWFLSA-N 1 1 282.472 2.734 50 0 CFAAMO CC(C)CC[N@H+]1CCN(C2CCCCC2)C[C@H]1CCO ZINC000257371915 618253451 /nfs/dbraw/zinc/25/34/51/618253451.db2.gz HVZIPUYGFMSRMU-QGZVFWFLSA-N 1 1 282.472 2.734 50 0 CFAAMO CCc1noc([C@H](C)[NH2+][C@H](C)Cc2ccc(C)cn2)n1 ZINC000020209030 618801279 /nfs/dbraw/zinc/80/12/79/618801279.db2.gz QKDKHIIQWPMDNY-NEPJUHHUSA-N 1 1 274.368 2.617 50 0 CFAAMO c1coc(-c2ccccc2C[N@@H+]2CCc3nncn3CC2)c1 ZINC000020540008 618806308 /nfs/dbraw/zinc/80/63/08/618806308.db2.gz NHSJXQAERCFILU-UHFFFAOYSA-N 1 1 294.358 2.596 50 0 CFAAMO [NH3+]C1(c2noc(-c3cc(Br)cs3)n2)CC1 ZINC000905319041 621740851 /nfs/dbraw/zinc/74/08/51/621740851.db2.gz MQHYQHJKIDEYPZ-UHFFFAOYSA-N 1 1 286.154 2.508 50 0 CFAAMO CCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000874433699 624452689 /nfs/dbraw/zinc/45/26/89/624452689.db2.gz OUKZDAVDCBOARC-CYBMUJFWSA-N 1 1 295.452 2.540 50 0 CFAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000049041947 650286561 /nfs/dbraw/zinc/28/65/61/650286561.db2.gz DZPPVFHJWGEGGB-LLVKDONJSA-N 1 1 295.452 2.655 50 0 CFAAMO COc1ccnc([C@@H](C)[NH2+]Cc2scnc2C)c1 ZINC000863983325 637832979 /nfs/dbraw/zinc/83/29/79/637832979.db2.gz FUJLDPKQEABTFL-SECBINFHSA-N 1 1 263.366 2.706 50 0 CFAAMO C[C@H]([NH2+]C1CCN(C)CC1)c1cccc(Br)n1 ZINC000863983591 637833031 /nfs/dbraw/zinc/83/30/31/637833031.db2.gz IOOBLBVOVPCNKD-JTQLQIEISA-N 1 1 298.228 2.589 50 0 CFAAMO C[C@@H]([NH2+]C1CCN(C)CC1)c1cccc(Br)n1 ZINC000863983592 637833270 /nfs/dbraw/zinc/83/32/70/637833270.db2.gz IOOBLBVOVPCNKD-SNVBAGLBSA-N 1 1 298.228 2.589 50 0 CFAAMO C[C@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090965 637871744 /nfs/dbraw/zinc/87/17/44/637871744.db2.gz HMXSKMMREFBLMP-GXTWGEPZSA-N 1 1 275.396 2.821 50 0 CFAAMO Cc1cc(C)n(C[C@@H](C)[N@@H+](C)CCc2scnc2C)n1 ZINC000952983848 650791525 /nfs/dbraw/zinc/79/15/25/650791525.db2.gz YDHFWALSZPWODC-CYBMUJFWSA-N 1 1 292.452 2.828 50 0 CFAAMO COC1(OC)CC2(C[N@@H+](Cc3cc(C)no3)[C@@H]2C(C)C)C1 ZINC000877871605 643613035 /nfs/dbraw/zinc/61/30/35/643613035.db2.gz STJWNJCWBPLSBK-CQSZACIVSA-N 1 1 294.395 2.593 50 0 CFAAMO O=C(C1CCC1)N1CC[N@@H+](C2CC2)C[C@H]1c1ccccc1 ZINC000090688447 650880665 /nfs/dbraw/zinc/88/06/65/650880665.db2.gz PWRSVDLZTVBUOP-KRWDZBQOSA-N 1 1 284.403 2.834 50 0 CFAAMO O=C(C1CCC1)N1CC[N@H+](C2CC2)C[C@H]1c1ccccc1 ZINC000090688447 650880669 /nfs/dbraw/zinc/88/06/69/650880669.db2.gz PWRSVDLZTVBUOP-KRWDZBQOSA-N 1 1 284.403 2.834 50 0 CFAAMO CC(=O)N1CCC([N@@H+]2CCO[C@H](CCCC(C)C)C2)CC1 ZINC000015072183 651184718 /nfs/dbraw/zinc/18/47/18/651184718.db2.gz ZMNIYEYTHZESNI-QGZVFWFLSA-N 1 1 296.455 2.524 50 0 CFAAMO Cc1cc(C[N@H+]2CCCOCC2)c2ccc(F)cc2n1 ZINC000019145991 651287995 /nfs/dbraw/zinc/28/79/95/651287995.db2.gz FVOUCEGPXPWTQJ-UHFFFAOYSA-N 1 1 274.339 2.905 50 0 CFAAMO O=C(c1ccc2occc2c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000020109911 651296717 /nfs/dbraw/zinc/29/67/17/651296717.db2.gz VIZYVSNOYLJQDE-OAHLLOKOSA-N 1 1 284.359 2.743 50 0 CFAAMO Cc1cc(N2CCC[N@H+](C)CC2)nc2cc(F)ccc12 ZINC000023634339 775531312 /nfs/dbraw/zinc/53/13/12/775531312.db2.gz RXCWOQNWRGYFPS-UHFFFAOYSA-N 1 1 273.355 2.824 50 0 CFAAMO CC1(C)CC(NCCc2nccs2)CC(C)(C)[NH2+]1 ZINC000822293571 781896595 /nfs/dbraw/zinc/89/65/95/781896595.db2.gz MMQHWINTXMLRPO-UHFFFAOYSA-N 1 1 267.442 2.584 50 0 CFAAMO CC[C@H](C(=O)NC(C)(C)c1ccc(OC)cc1)[N@@H+](C)CC ZINC000822549786 781903781 /nfs/dbraw/zinc/90/37/81/781903781.db2.gz IATZBYLRBFGJTH-OAHLLOKOSA-N 1 1 292.423 2.777 50 0 CFAAMO Cn1ccnc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000096455359 230376926 /nfs/dbraw/zinc/37/69/26/230376926.db2.gz PUVHCKORLRQTEC-KRWDZBQOSA-N 1 1 299.418 2.682 50 0 CFAAMO Cn1ccnc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000096455359 230376927 /nfs/dbraw/zinc/37/69/27/230376927.db2.gz PUVHCKORLRQTEC-KRWDZBQOSA-N 1 1 299.418 2.682 50 0 CFAAMO CSc1cccc(CN(C)C(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000097819699 230387865 /nfs/dbraw/zinc/38/78/65/230387865.db2.gz TZFAGRNAWRJVTP-OAHLLOKOSA-N 1 1 292.448 2.851 50 0 CFAAMO CCOCC(C)(C)NC(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000095507968 185001046 /nfs/dbraw/zinc/00/10/46/185001046.db2.gz JHPHKLBHPFECCW-OAHLLOKOSA-N 1 1 292.423 2.529 50 0 CFAAMO CCn1c2ccc(C)cc2[nH+]c1NCc1ccnn1C ZINC000095942992 185037630 /nfs/dbraw/zinc/03/76/30/185037630.db2.gz SSFWLYFDEDHUMP-UHFFFAOYSA-N 1 1 269.352 2.710 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000095974635 185050353 /nfs/dbraw/zinc/05/03/53/185050353.db2.gz JUMWRQMGVSCGOQ-NVXWUHKLSA-N 1 1 286.375 2.647 50 0 CFAAMO CC(C)c1[nH+]ccn1CC[S@](=O)c1ccccc1 ZINC000096001653 185062377 /nfs/dbraw/zinc/06/23/77/185062377.db2.gz QBMVFEGBSUKPGL-GOSISDBHSA-N 1 1 262.378 2.814 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(-c2ccnc3c2ccn3C)nn1 ZINC000077320632 282198156 /nfs/dbraw/zinc/19/81/56/282198156.db2.gz FAWJGSIFDAHMQK-UHFFFAOYSA-N 1 1 290.330 2.524 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000071850310 539463075 /nfs/dbraw/zinc/46/30/75/539463075.db2.gz OPVMUFQKFHTRLF-UHFFFAOYSA-N 1 1 282.334 2.523 50 0 CFAAMO Cc1[nH+]ccn1CCCN1C(=O)CCc2ccccc21 ZINC000095516858 136517278 /nfs/dbraw/zinc/51/72/78/136517278.db2.gz UGCISJOABJACNE-UHFFFAOYSA-N 1 1 269.348 2.561 50 0 CFAAMO C[C@]1(O)C[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)C[C@@H]1O ZINC000019879460 346243076 /nfs/dbraw/zinc/24/30/76/346243076.db2.gz VAKBKORICCUVPK-QYZOEREBSA-N 1 1 297.398 2.746 50 0 CFAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078407 346248124 /nfs/dbraw/zinc/24/81/24/346248124.db2.gz HJBQVDKHMZTIHJ-XHDPSFHLSA-N 1 1 266.335 2.633 50 0 CFAAMO c1csc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000039348994 346343672 /nfs/dbraw/zinc/34/36/72/346343672.db2.gz HKCIJFJXKPDDOG-GASCZTMLSA-N 1 1 285.416 2.711 50 0 CFAAMO CCCC(=O)N1CC[N@@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472676 179077060 /nfs/dbraw/zinc/07/70/60/179077060.db2.gz AJPWTWYGUAVPTQ-KRWDZBQOSA-N 1 1 286.419 2.704 50 0 CFAAMO CCCC(=O)N1CC[N@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472676 179077062 /nfs/dbraw/zinc/07/70/62/179077062.db2.gz AJPWTWYGUAVPTQ-KRWDZBQOSA-N 1 1 286.419 2.704 50 0 CFAAMO Cn1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1=O ZINC000051650303 346506451 /nfs/dbraw/zinc/50/64/51/346506451.db2.gz WUSYXOZVKSMASS-INIZCTEOSA-N 1 1 268.360 2.505 50 0 CFAAMO Cn1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1=O ZINC000051650302 346506663 /nfs/dbraw/zinc/50/66/63/346506663.db2.gz WUSYXOZVKSMASS-MRXNPFEDSA-N 1 1 268.360 2.505 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3nc(C)c(C)o3)C2)n[nH]1 ZINC000084111369 539544106 /nfs/dbraw/zinc/54/41/06/539544106.db2.gz MXHXNCKGJMYSAR-CYBMUJFWSA-N 1 1 274.368 2.703 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3nc(C)c(C)o3)C2)n[nH]1 ZINC000084111369 539544110 /nfs/dbraw/zinc/54/41/10/539544110.db2.gz MXHXNCKGJMYSAR-CYBMUJFWSA-N 1 1 274.368 2.703 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3nc(C)c(C)o3)C2)[nH]n1 ZINC000084111369 539544112 /nfs/dbraw/zinc/54/41/12/539544112.db2.gz MXHXNCKGJMYSAR-CYBMUJFWSA-N 1 1 274.368 2.703 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3nc(C)c(C)o3)C2)[nH]n1 ZINC000084111369 539544117 /nfs/dbraw/zinc/54/41/17/539544117.db2.gz MXHXNCKGJMYSAR-CYBMUJFWSA-N 1 1 274.368 2.703 50 0 CFAAMO Cn1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1=O ZINC000051180494 346501206 /nfs/dbraw/zinc/50/12/06/346501206.db2.gz KMXFESGCYXIPJR-MRXNPFEDSA-N 1 1 268.360 2.722 50 0 CFAAMO O=C(C1=CC[N@@H+](Cc2cccc(F)c2)CC1)N1CCCC1 ZINC000064541804 346722410 /nfs/dbraw/zinc/72/24/10/346722410.db2.gz IQVXAFIIOMAHDT-UHFFFAOYSA-N 1 1 288.366 2.580 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000061745521 346681669 /nfs/dbraw/zinc/68/16/69/346681669.db2.gz RGQRAWRYHIBTIL-RBSFLKMASA-N 1 1 266.429 2.755 50 0 CFAAMO c1ccc2c(c1)C[N@@H+](CCc1ccncc1)CCO2 ZINC000076849124 347156982 /nfs/dbraw/zinc/15/69/82/347156982.db2.gz XRSJIALGCZFUBO-UHFFFAOYSA-N 1 1 254.333 2.519 50 0 CFAAMO c1nc(C2CC[NH+](CCCc3ccccc3)CC2)n[nH]1 ZINC000083424498 347451248 /nfs/dbraw/zinc/45/12/48/347451248.db2.gz ICVWRQOJJGKNPH-UHFFFAOYSA-N 1 1 270.380 2.617 50 0 CFAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H]2C1 ZINC000095466080 347698099 /nfs/dbraw/zinc/69/80/99/347698099.db2.gz VNHJRPIXLNHDGH-BXUZGUMPSA-N 1 1 293.798 2.898 50 0 CFAAMO c1ccc(OCc2nc([C@@H]3CCCCC[NH2+]3)no2)cc1 ZINC000096001518 347699700 /nfs/dbraw/zinc/69/97/00/347699700.db2.gz TUZWEFHVVLICDW-ZDUSSCGKSA-N 1 1 273.336 2.853 50 0 CFAAMO Cc1cc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCO2)ccc1F ZINC000095978963 347699765 /nfs/dbraw/zinc/69/97/65/347699765.db2.gz WJUZHVWHEBGVAF-BBRMVZONSA-N 1 1 279.355 2.544 50 0 CFAAMO Cc1n[nH]cc1CNC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000097159406 347707055 /nfs/dbraw/zinc/70/70/55/347707055.db2.gz WICSRGSDVYITKC-UHFFFAOYSA-N 1 1 298.434 2.781 50 0 CFAAMO COC(=O)/C(C)=C\C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000106922649 347733370 /nfs/dbraw/zinc/73/33/70/347733370.db2.gz JWQWHEMSPVGTCR-DDKJEQMHSA-N 1 1 289.375 2.951 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)c2cccc(C)c2)n1C1CC1 ZINC000169787937 348052652 /nfs/dbraw/zinc/05/26/52/348052652.db2.gz VKXZQFVXONXGBF-UHFFFAOYSA-N 1 1 283.375 2.807 50 0 CFAAMO CCC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccsc1 ZINC000225631753 348178243 /nfs/dbraw/zinc/17/82/43/348178243.db2.gz YUAAHKIKPMRRFC-GFCCVEGCSA-N 1 1 292.408 2.501 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2C[C@@H](O)c2ccccc2)c1 ZINC000229487472 348202032 /nfs/dbraw/zinc/20/20/32/348202032.db2.gz GSGHZOICZLKUNR-QZTJIDSGSA-N 1 1 299.418 2.780 50 0 CFAAMO COc1ccc2nc(C[NH2+][C@H]3CCCSC3)[nH]c2c1 ZINC000584892040 348728974 /nfs/dbraw/zinc/72/89/74/348728974.db2.gz WUKLBEZRBBXRQY-JTQLQIEISA-N 1 1 277.393 2.557 50 0 CFAAMO Clc1ccc2nc(CCC[NH2+][C@@H]3CCOC3)[nH]c2c1 ZINC000584900024 348731767 /nfs/dbraw/zinc/73/17/67/348731767.db2.gz TZQAJULVJLHGPA-LLVKDONJSA-N 1 1 279.771 2.527 50 0 CFAAMO Cc1cc(CNc2cc(CCO)cc[nH+]2)ccc1F ZINC000585141258 348737221 /nfs/dbraw/zinc/73/72/21/348737221.db2.gz SFFNCIDEFINGQB-UHFFFAOYSA-N 1 1 260.312 2.676 50 0 CFAAMO Cc1nnc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)[nH]1 ZINC000091494254 180171161 /nfs/dbraw/zinc/17/11/61/180171161.db2.gz FDJHSRDTGIEXHF-MRXNPFEDSA-N 1 1 270.380 2.667 50 0 CFAAMO Cc1nnc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)[nH]1 ZINC000091494254 180171163 /nfs/dbraw/zinc/17/11/63/180171163.db2.gz FDJHSRDTGIEXHF-MRXNPFEDSA-N 1 1 270.380 2.667 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091585539 180199445 /nfs/dbraw/zinc/19/94/45/180199445.db2.gz IYSVLMGATOBNOU-INIZCTEOSA-N 1 1 281.371 2.817 50 0 CFAAMO Fc1cnccc1N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091585564 180199678 /nfs/dbraw/zinc/19/96/78/180199678.db2.gz PVUMVUAFIGTUQF-ZIAGYGMSSA-N 1 1 275.371 2.531 50 0 CFAAMO Cc1ccc([C@H](C(=O)NCc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000091593922 180201893 /nfs/dbraw/zinc/20/18/93/180201893.db2.gz KCNNFEUGXNNICW-QGZVFWFLSA-N 1 1 298.386 2.620 50 0 CFAAMO COCC[C@]1(CO)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000091625019 180209817 /nfs/dbraw/zinc/20/98/17/180209817.db2.gz YIXCLBXWAJBQMV-GOSISDBHSA-N 1 1 291.435 2.730 50 0 CFAAMO Cc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1C ZINC000091895804 180282522 /nfs/dbraw/zinc/28/25/22/180282522.db2.gz WRDRPEHLIORWGN-UHFFFAOYSA-N 1 1 275.392 2.685 50 0 CFAAMO Cc1nc2ccsc2c(NCCCc2[nH]cc[nH+]2)n1 ZINC000092046287 180311071 /nfs/dbraw/zinc/31/10/71/180311071.db2.gz ZWFSXJHHSOTKOJ-UHFFFAOYSA-N 1 1 273.365 2.768 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CC[C@](C)(O)[C@H](C)C2)cc1 ZINC000092106902 180326350 /nfs/dbraw/zinc/32/63/50/180326350.db2.gz YNBZCLZSPMTPRF-ROHVMALMSA-N 1 1 275.392 2.801 50 0 CFAAMO NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000106164680 186104010 /nfs/dbraw/zinc/10/40/10/186104010.db2.gz JWRYWZCCLVWTRM-DLBZAZTESA-N 1 1 280.371 2.703 50 0 CFAAMO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000106669760 186131309 /nfs/dbraw/zinc/13/13/09/186131309.db2.gz MVQPFYDZQQBHMD-FZMZJTMJSA-N 1 1 290.363 2.978 50 0 CFAAMO CC[N@@H+](C[C@@H](O)c1cc(C)ccc1C)C[C@H]1CCOC1 ZINC000107144966 186160823 /nfs/dbraw/zinc/16/08/23/186160823.db2.gz PNELGSQDNINNPI-NVXWUHKLSA-N 1 1 277.408 2.695 50 0 CFAAMO Cn1cncc1CNC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109077213 186242688 /nfs/dbraw/zinc/24/26/88/186242688.db2.gz AYGBJTKJTBRPPA-INIZCTEOSA-N 1 1 290.455 2.554 50 0 CFAAMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000110702830 186314017 /nfs/dbraw/zinc/31/40/17/186314017.db2.gz UPRGKQRNXGHMTE-BPLDGKMQSA-N 1 1 281.421 2.825 50 0 CFAAMO O=c1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)nc2ccccn12 ZINC000685939496 540020600 /nfs/dbraw/zinc/02/06/00/540020600.db2.gz OZEMTDMKEMZKEZ-CABCVRRESA-N 1 1 297.402 2.707 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](C)Cc1ccsc1 ZINC000823557298 781933481 /nfs/dbraw/zinc/93/34/81/781933481.db2.gz KZDGRIGCQAYKNT-GFCCVEGCSA-N 1 1 291.420 2.645 50 0 CFAAMO c1ccc(N2C[C@@H]3C[N@@H+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000585145860 540052144 /nfs/dbraw/zinc/05/21/44/540052144.db2.gz KYGGZWKEYWXJHR-HDICACEKSA-N 1 1 293.414 2.692 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCSc1nnc(C2CC2)s1 ZINC000083877925 540187706 /nfs/dbraw/zinc/18/77/06/540187706.db2.gz HLPQTKKNRSIZDY-JTQLQIEISA-N 1 1 269.439 2.992 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCCCC1 ZINC000007377595 540388610 /nfs/dbraw/zinc/38/86/10/540388610.db2.gz UMXUPQSVXBKPBC-LLVKDONJSA-N 1 1 250.317 2.639 50 0 CFAAMO C[N@@H+](CCC1(O)CCCC1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000823701117 781936542 /nfs/dbraw/zinc/93/65/42/781936542.db2.gz VGSNFIBYUKGYIJ-DLBZAZTESA-N 1 1 294.483 2.878 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)[nH]n1 ZINC000084111138 540681631 /nfs/dbraw/zinc/68/16/31/540681631.db2.gz YQCOPOYYKQTIQW-CQSZACIVSA-N 1 1 277.412 2.593 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](CC3(O)CCCCC3)C2)n[nH]1 ZINC000084111138 540681632 /nfs/dbraw/zinc/68/16/32/540681632.db2.gz YQCOPOYYKQTIQW-CQSZACIVSA-N 1 1 277.412 2.593 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)n[nH]1 ZINC000084111138 540681633 /nfs/dbraw/zinc/68/16/33/540681633.db2.gz YQCOPOYYKQTIQW-CQSZACIVSA-N 1 1 277.412 2.593 50 0 CFAAMO Cc1cn(Cc2cc(=O)oc3cc(C)ccc23)c(C)[nH+]1 ZINC000089665820 540718852 /nfs/dbraw/zinc/71/88/52/540718852.db2.gz AUCAIUGOCKBCKK-UHFFFAOYSA-N 1 1 268.316 2.963 50 0 CFAAMO C[NH+](C)Cc1cc(NC(=O)[C@H]2CCCOC2)ccc1Cl ZINC000252494197 540749155 /nfs/dbraw/zinc/74/91/55/540749155.db2.gz NOAHCLJWILLBNW-NSHDSACASA-N 1 1 296.798 2.767 50 0 CFAAMO CC[N@@H+](Cc1ccc2[nH]ccc2c1)Cc1cncnc1 ZINC000252507286 540750597 /nfs/dbraw/zinc/75/05/97/540750597.db2.gz WFZHPXCAQHNOOV-UHFFFAOYSA-N 1 1 266.348 2.980 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000252507285 540750647 /nfs/dbraw/zinc/75/06/47/540750647.db2.gz WFYOYBGKKVSUOY-STQMWFEESA-N 1 1 284.469 2.509 50 0 CFAAMO Cc1nn(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(=S)n1C ZINC000012908569 540923475 /nfs/dbraw/zinc/92/34/75/540923475.db2.gz XAFSZFRWKGBVGZ-OLZOCXBDSA-N 1 1 280.441 2.872 50 0 CFAAMO Cc1nn(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(=S)n1C ZINC000012908569 540923477 /nfs/dbraw/zinc/92/34/77/540923477.db2.gz XAFSZFRWKGBVGZ-OLZOCXBDSA-N 1 1 280.441 2.872 50 0 CFAAMO C[N@@H+](Cc1ccc(Cl)cc1)CC1(CO)CCC1 ZINC000259141810 540942092 /nfs/dbraw/zinc/94/20/92/540942092.db2.gz ZRNZIHODHVVKQS-UHFFFAOYSA-N 1 1 253.773 2.934 50 0 CFAAMO C[N@@H+](CC[C@@H](O)c1ccccc1)CC1(CO)CCCC1 ZINC000670442156 540996255 /nfs/dbraw/zinc/99/62/55/540996255.db2.gz YISZRXIJFHDIID-MRXNPFEDSA-N 1 1 277.408 2.595 50 0 CFAAMO Cc1cccnc1C[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000670441775 540996304 /nfs/dbraw/zinc/99/63/04/540996304.db2.gz YCNMQDLHFZVHJP-NSHDSACASA-N 1 1 267.336 2.704 50 0 CFAAMO Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CCSC3)nc21 ZINC000670441770 540996434 /nfs/dbraw/zinc/99/64/34/540996434.db2.gz LYEOYUHBHJFJOU-LLVKDONJSA-N 1 1 261.394 2.809 50 0 CFAAMO Cc1cccc2nc(C[N@@H+](C)[C@@H]3CCSC3)[nH]c21 ZINC000670441770 540996438 /nfs/dbraw/zinc/99/64/38/540996438.db2.gz LYEOYUHBHJFJOU-LLVKDONJSA-N 1 1 261.394 2.809 50 0 CFAAMO Cc1cccc2nc(C[N@H+](C)[C@@H]3CCSC3)[nH]c21 ZINC000670441770 540996441 /nfs/dbraw/zinc/99/64/41/540996441.db2.gz LYEOYUHBHJFJOU-LLVKDONJSA-N 1 1 261.394 2.809 50 0 CFAAMO O[C@]1(c2ccccc2)CC[N@@H+](CCOCc2ccccc2)C1 ZINC000670467781 541007404 /nfs/dbraw/zinc/00/74/04/541007404.db2.gz XHJYATIVWVFIMI-LJQANCHMSA-N 1 1 297.398 2.797 50 0 CFAAMO COc1cccc(F)c1CN1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000670468910 541007802 /nfs/dbraw/zinc/00/78/02/541007802.db2.gz MDXQEDNCECYWHF-KBPBESRZSA-N 1 1 292.398 2.750 50 0 CFAAMO C[N@@H+](C/C=C/c1ccc(F)cc1)CC1(CO)CCC1 ZINC000670472073 541010494 /nfs/dbraw/zinc/01/04/94/541010494.db2.gz VFJWRQHEBNQKOQ-DUXPYHPUSA-N 1 1 263.356 2.933 50 0 CFAAMO CC(C)c1cc(CN(C)C[C@H]2CC[N@@H+](C)C2(C)C)no1 ZINC000670472813 541011344 /nfs/dbraw/zinc/01/13/44/541011344.db2.gz JCHHELQLELBPSH-CYBMUJFWSA-N 1 1 279.428 2.960 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000216510141 189705106 /nfs/dbraw/zinc/70/51/06/189705106.db2.gz FPVLMXVJTXYFEX-CYBMUJFWSA-N 1 1 275.352 2.614 50 0 CFAAMO COc1cc(C[N@@H+]2CCc3ccccc3C2)cc(OC)c1O ZINC000000199295 371556107 /nfs/dbraw/zinc/55/61/07/371556107.db2.gz USYRXQRDSJGKJX-UHFFFAOYSA-N 1 1 299.370 2.968 50 0 CFAAMO COc1cc(C[N@H+]2CCc3ccccc3C2)cc(OC)c1O ZINC000000199295 371556113 /nfs/dbraw/zinc/55/61/13/371556113.db2.gz USYRXQRDSJGKJX-UHFFFAOYSA-N 1 1 299.370 2.968 50 0 CFAAMO C[N@@H+](Cn1c2ccccc2oc1=O)C1CCCCC1 ZINC000000034170 371512182 /nfs/dbraw/zinc/51/21/82/371512182.db2.gz NRJCACVGUBPQBW-UHFFFAOYSA-N 1 1 260.337 2.817 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000000214149 371560795 /nfs/dbraw/zinc/56/07/95/371560795.db2.gz AJRXPNFRMJAWHV-SECBINFHSA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000000214149 371560803 /nfs/dbraw/zinc/56/08/03/371560803.db2.gz AJRXPNFRMJAWHV-SECBINFHSA-N 1 1 260.164 2.950 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000000214354 371561557 /nfs/dbraw/zinc/56/15/57/371561557.db2.gz YNWLYCAZWWTDFY-KRWDZBQOSA-N 1 1 288.435 2.810 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000000243697 371566931 /nfs/dbraw/zinc/56/69/31/371566931.db2.gz DJXVUKSGMPSAOZ-INIZCTEOSA-N 1 1 275.392 2.894 50 0 CFAAMO OCC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000000278323 371575918 /nfs/dbraw/zinc/57/59/18/371575918.db2.gz KDROITVJGBMCNC-UHFFFAOYSA-N 1 1 255.361 2.724 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)c2cccc(Cl)c2)C1 ZINC000000528524 371635581 /nfs/dbraw/zinc/63/55/81/371635581.db2.gz GOFCGLXPPQNPNI-LBPRGKRZSA-N 1 1 253.729 2.591 50 0 CFAAMO NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000000757153 371646964 /nfs/dbraw/zinc/64/69/64/371646964.db2.gz QBYCPBAMDIFCLP-UHFFFAOYSA-N 1 1 287.190 2.691 50 0 CFAAMO OCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000000761370 371648365 /nfs/dbraw/zinc/64/83/65/371648365.db2.gz LKHUQNPNUZWXLB-UHFFFAOYSA-N 1 1 277.314 2.959 50 0 CFAAMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000000761370 371648372 /nfs/dbraw/zinc/64/83/72/371648372.db2.gz LKHUQNPNUZWXLB-UHFFFAOYSA-N 1 1 277.314 2.959 50 0 CFAAMO CCCCOc1ccc(C[NH+](C)C)cc1CN(C)C ZINC000002315579 371721833 /nfs/dbraw/zinc/72/18/33/371721833.db2.gz MFQTVVLKGLORPU-UHFFFAOYSA-N 1 1 264.413 2.989 50 0 CFAAMO Nc1nc(N)c2cc(NCc3ccc(F)cc3)ccc2[nH+]1 ZINC000001579058 371683421 /nfs/dbraw/zinc/68/34/21/371683421.db2.gz LLPJTTAFJBKQEQ-UHFFFAOYSA-N 1 1 283.310 2.545 50 0 CFAAMO CCCCNC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004026640 371829385 /nfs/dbraw/zinc/82/93/85/371829385.db2.gz KYZHQGJPBZEGKQ-UONOGXRCSA-N 1 1 268.401 2.777 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003401125 371797163 /nfs/dbraw/zinc/79/71/63/371797163.db2.gz YUQIFIGQVPNNCB-ZDUSSCGKSA-N 1 1 272.392 2.988 50 0 CFAAMO CCC[C@@]1(c2cccc(OC(C)=O)c2)CC[N@@H+](C)C1 ZINC000003640267 371814135 /nfs/dbraw/zinc/81/41/35/371814135.db2.gz JSVPVVXSCRJFAT-MRXNPFEDSA-N 1 1 261.365 2.985 50 0 CFAAMO CCC[N@@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC000003811315 371819210 /nfs/dbraw/zinc/81/92/10/371819210.db2.gz GZVBVBMMNFIXGE-CQSZACIVSA-N 1 1 281.421 2.680 50 0 in-vitro CFAAMO CCC[N@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC000003811315 371819217 /nfs/dbraw/zinc/81/92/17/371819217.db2.gz GZVBVBMMNFIXGE-CQSZACIVSA-N 1 1 281.421 2.680 50 0 in-vitro CFAAMO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000011916592 371937209 /nfs/dbraw/zinc/93/72/09/371937209.db2.gz AGXQSQZEJYDBBE-AWEZNQCLSA-N 1 1 272.348 2.621 50 0 CFAAMO Cn1ccnc1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000011735882 371927875 /nfs/dbraw/zinc/92/78/75/371927875.db2.gz UMAMSTMESQUSCO-SNVBAGLBSA-N 1 1 256.136 2.775 50 0 CFAAMO O=c1oc2ccccc2n1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000012531723 371968357 /nfs/dbraw/zinc/96/83/57/371968357.db2.gz BMUWBPUDDVJXHP-UHFFFAOYSA-N 1 1 299.717 2.944 50 0 CFAAMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000012381811 371957132 /nfs/dbraw/zinc/95/71/32/371957132.db2.gz XMFGCDSMXOCPDW-MRXNPFEDSA-N 1 1 260.425 2.721 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000013148565 372016676 /nfs/dbraw/zinc/01/66/76/372016676.db2.gz KXDGCQBVVILKGW-TZMCWYRMSA-N 1 1 283.799 2.954 50 0 CFAAMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000013305057 372022160 /nfs/dbraw/zinc/02/21/60/372022160.db2.gz VXWCVTFAHVMOOZ-GDBMZVCRSA-N 1 1 277.408 2.775 50 0 CFAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000012993425 372008202 /nfs/dbraw/zinc/00/82/02/372008202.db2.gz XWPRXRQVSRXMKZ-RYUDHWBXSA-N 1 1 266.410 2.657 50 0 CFAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)c1ccccc1 ZINC000016381758 372105246 /nfs/dbraw/zinc/10/52/46/372105246.db2.gz LXHIGEQDBPJVLT-MRXNPFEDSA-N 1 1 299.370 2.623 50 0 CFAAMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccccc1C ZINC000014192412 372062749 /nfs/dbraw/zinc/06/27/49/372062749.db2.gz RYPICICLDSSZHO-UHFFFAOYSA-N 1 1 257.381 2.977 50 0 CFAAMO CC[NH+](CC)Cc1nc(Cc2cccc(F)c2)no1 ZINC000015061801 372078536 /nfs/dbraw/zinc/07/85/36/372078536.db2.gz POLHJOMFIIBYDM-UHFFFAOYSA-N 1 1 263.316 2.641 50 0 CFAAMO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+](C)C)o1 ZINC000015860099 372094784 /nfs/dbraw/zinc/09/47/84/372094784.db2.gz UNDQXBDEFAEOTH-AWEZNQCLSA-N 1 1 290.338 2.760 50 0 CFAAMO CCCCC12CN3CC(C)(C[N@H+](C1)C31CCCC1)C2=O ZINC000019333123 372155778 /nfs/dbraw/zinc/15/57/78/372155778.db2.gz XPKIMDLMYXEGHC-UHFFFAOYSA-N 1 1 276.424 2.654 50 0 CFAAMO CCCCC12CN3CC(C)(C[N@@H+](C1)C31CCCC1)C2=O ZINC000019333123 372155786 /nfs/dbraw/zinc/15/57/86/372155786.db2.gz XPKIMDLMYXEGHC-UHFFFAOYSA-N 1 1 276.424 2.654 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)CC[C@H](O)c1ccccc1 ZINC000019952269 372213958 /nfs/dbraw/zinc/21/39/58/372213958.db2.gz IUHIIDSBLVZJFS-INIZCTEOSA-N 1 1 274.364 2.847 50 0 CFAAMO Cc1cc(C)c(OCCCC[NH+]2CCNCC2)c(C)c1 ZINC000020117941 372233302 /nfs/dbraw/zinc/23/33/02/372233302.db2.gz ZYQKCJAAJSGDQV-UHFFFAOYSA-N 1 1 276.424 2.676 50 0 CFAAMO C[C@@H](CNCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000022032957 372243337 /nfs/dbraw/zinc/24/33/37/372243337.db2.gz NADLSYHUPNECSA-HNNXBMFYSA-N 1 1 254.377 2.955 50 0 CFAAMO Cc1nc[nH]c1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000023281642 372256463 /nfs/dbraw/zinc/25/64/63/372256463.db2.gz JROILDIDMSOECR-UHFFFAOYSA-N 1 1 284.407 2.657 50 0 CFAAMO O=C1N2CC[NH+]=C2CC1(c1ccccc1)c1ccccc1 ZINC000025758783 372306745 /nfs/dbraw/zinc/30/67/45/372306745.db2.gz LEFHJVAOWXTANP-UHFFFAOYSA-N 1 1 276.339 2.617 50 0 CFAAMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000026157488 372313752 /nfs/dbraw/zinc/31/37/52/372313752.db2.gz NCYCIPBARVPSSK-DOMZBBRYSA-N 1 1 254.333 2.564 50 0 CFAAMO Cc1ccnc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000028233615 372360680 /nfs/dbraw/zinc/36/06/80/372360680.db2.gz AJKBENAHTUZKTB-INIZCTEOSA-N 1 1 295.386 2.993 50 0 CFAAMO CC[N@@H+](CC(=O)Nc1cc(C)no1)C1CCCCC1 ZINC000027286508 372337211 /nfs/dbraw/zinc/33/72/11/372337211.db2.gz XULSITPXTQIYNY-UHFFFAOYSA-N 1 1 265.357 2.576 50 0 CFAAMO Cc1noc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029828978 372385797 /nfs/dbraw/zinc/38/57/97/372385797.db2.gz ZZBRVCYLXOZPLC-GFCCVEGCSA-N 1 1 298.346 2.899 50 0 CFAAMO Cc1noc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029828978 372385801 /nfs/dbraw/zinc/38/58/01/372385801.db2.gz ZZBRVCYLXOZPLC-GFCCVEGCSA-N 1 1 298.346 2.899 50 0 CFAAMO COCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000032917446 372476428 /nfs/dbraw/zinc/47/64/28/372476428.db2.gz GRZPMTOWGXQEPE-UHFFFAOYSA-N 1 1 258.159 2.527 50 0 CFAAMO OC1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000032146141 372432771 /nfs/dbraw/zinc/43/27/71/372432771.db2.gz DTNNWPPBCHGPFR-UHFFFAOYSA-N 1 1 290.190 2.829 50 0 CFAAMO O=C1CC[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)N1 ZINC000032517823 372443231 /nfs/dbraw/zinc/44/32/31/372443231.db2.gz VFZOCWYZJVRKQE-SNVBAGLBSA-N 1 1 275.739 2.579 50 0 CFAAMO Cc1[nH+]ccn1-c1ccccc1CNc1ncccn1 ZINC000032547817 372444004 /nfs/dbraw/zinc/44/40/04/372444004.db2.gz OBNCZYCRSGZQIX-UHFFFAOYSA-N 1 1 265.320 2.583 50 0 CFAAMO CCN1C[C@H](C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1=O ZINC000032581007 372446077 /nfs/dbraw/zinc/44/60/77/372446077.db2.gz LYWFJQXOQYQPTH-CABCVRRESA-N 1 1 274.408 2.590 50 0 CFAAMO Cc1cc(C)c(C[NH2+]Cc2nnc3ccccn32)cc1C ZINC000034993378 372524688 /nfs/dbraw/zinc/52/46/88/372524688.db2.gz DRYQQMHMVHPQCK-UHFFFAOYSA-N 1 1 280.375 2.944 50 0 CFAAMO Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cn1 ZINC000037143154 372655008 /nfs/dbraw/zinc/65/50/08/372655008.db2.gz WHUWTQBGSWPFNC-UHFFFAOYSA-N 1 1 297.402 2.642 50 0 CFAAMO COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000042969105 372968457 /nfs/dbraw/zinc/96/84/57/372968457.db2.gz OZBWKDNYLWENKI-ZBFHGGJFSA-N 1 1 277.408 2.721 50 0 CFAAMO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042977794 372971453 /nfs/dbraw/zinc/97/14/53/372971453.db2.gz GNMZTKBHUDCGMK-UHFFFAOYSA-N 1 1 268.788 2.640 50 0 CFAAMO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042977794 372971457 /nfs/dbraw/zinc/97/14/57/372971457.db2.gz GNMZTKBHUDCGMK-UHFFFAOYSA-N 1 1 268.788 2.640 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(CCCc2ccco2)C1 ZINC000244884177 189913931 /nfs/dbraw/zinc/91/39/31/189913931.db2.gz YGUZKAUAADGBPC-AWEZNQCLSA-N 1 1 262.397 2.771 50 0 CFAAMO OCC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000048335150 373163338 /nfs/dbraw/zinc/16/33/38/373163338.db2.gz LJYAAQXRKCXODK-UHFFFAOYSA-N 1 1 272.348 2.546 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000049479578 373303392 /nfs/dbraw/zinc/30/33/92/373303392.db2.gz HLPXFEJYZKIFAL-GFCCVEGCSA-N 1 1 266.410 2.598 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000049595667 373313048 /nfs/dbraw/zinc/31/30/48/373313048.db2.gz IJGCKHSMZPFXIK-LLVKDONJSA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1Br ZINC000049595667 373313052 /nfs/dbraw/zinc/31/30/52/373313052.db2.gz IJGCKHSMZPFXIK-LLVKDONJSA-N 1 1 288.160 2.545 50 0 CFAAMO CC(C)C[N@@H+](Cc1nnc(-c2ccco2)o1)C1CC1 ZINC000051735021 373406302 /nfs/dbraw/zinc/40/63/02/373406302.db2.gz RBDUVUXVEQTRRU-UHFFFAOYSA-N 1 1 261.325 2.950 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000051203944 373388894 /nfs/dbraw/zinc/38/88/94/373388894.db2.gz APSLGOSPINEBCH-GFCCVEGCSA-N 1 1 276.767 2.845 50 0 CFAAMO COc1ccccc1OCC[N@@H+](C)Cc1ccco1 ZINC000051260032 373392156 /nfs/dbraw/zinc/39/21/56/373392156.db2.gz YTJLPMBECQPLIK-UHFFFAOYSA-N 1 1 261.321 2.799 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)c1cc2ccccc2s1 ZINC000052192447 373441950 /nfs/dbraw/zinc/44/19/50/373441950.db2.gz LEMORMFNYNJREX-UHFFFAOYSA-N 1 1 285.372 2.836 50 0 CFAAMO Cc1nnc(C[NH+]2CCC(c3ccccc3)CC2)n1C ZINC000052507512 373444152 /nfs/dbraw/zinc/44/41/52/373444152.db2.gz KIAOXIQVRMUIEA-UHFFFAOYSA-N 1 1 270.380 2.503 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000054226485 373506730 /nfs/dbraw/zinc/50/67/30/373506730.db2.gz WIKKCNHOYZSCNF-ZFWWWQNUSA-N 1 1 284.359 2.845 50 0 CFAAMO O=C(c1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000055058969 373536212 /nfs/dbraw/zinc/53/62/12/373536212.db2.gz ZBHRLPNPRGWPMD-UHFFFAOYSA-N 1 1 294.398 2.687 50 0 CFAAMO C[N@H+](CCc1ccccn1)CC[C@@H](O)c1ccccc1 ZINC000053932477 373488452 /nfs/dbraw/zinc/48/84/52/373488452.db2.gz HLPFTCCMCZCFSJ-QGZVFWFLSA-N 1 1 270.376 2.680 50 0 CFAAMO O=c1[nH]c(C[NH+]2CCCCCCC2)nc2ccccc21 ZINC000057312489 373587710 /nfs/dbraw/zinc/58/77/10/373587710.db2.gz ARBPQGKAYYEEIJ-UHFFFAOYSA-N 1 1 271.364 2.689 50 0 CFAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCCCCC1 ZINC000057418552 373592536 /nfs/dbraw/zinc/59/25/36/373592536.db2.gz WXQAGOMSFFLCCC-GFCCVEGCSA-N 1 1 271.364 2.860 50 0 CFAAMO CC[C@H](CO)[N@@H+](CCc1ccccc1)Cc1ccccn1 ZINC000055071651 373540170 /nfs/dbraw/zinc/54/01/70/373540170.db2.gz DIRBIDHGGXCCAH-GOSISDBHSA-N 1 1 284.403 2.897 50 0 CFAAMO Cc1cccc(C(C)C)c1NC(=O)CC[NH+]1CCOCC1 ZINC000058174799 373628609 /nfs/dbraw/zinc/62/86/09/373628609.db2.gz JWRHQNWUMXVJLV-UHFFFAOYSA-N 1 1 290.407 2.779 50 0 CFAAMO Cc1cc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)c(C)o1 ZINC000058433963 373658142 /nfs/dbraw/zinc/65/81/42/373658142.db2.gz VTXQUFAQWOCLQB-LLVKDONJSA-N 1 1 290.411 2.855 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000057622593 373604499 /nfs/dbraw/zinc/60/44/99/373604499.db2.gz FGSSSGKYTVAXKL-OAHLLOKOSA-N 1 1 259.353 2.967 50 0 CFAAMO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000058775100 373669722 /nfs/dbraw/zinc/66/97/22/373669722.db2.gz MLIHPLGPSJUMRY-UHFFFAOYSA-N 1 1 280.437 2.829 50 0 CFAAMO COc1ccc(OCC[N@@H+](C)CCc2ccncc2)cc1 ZINC000060625335 373702089 /nfs/dbraw/zinc/70/20/89/373702089.db2.gz BXXXUVSINQTFSU-UHFFFAOYSA-N 1 1 286.375 2.644 50 0 CFAAMO C[C@@H](CO)C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000063857633 373816450 /nfs/dbraw/zinc/81/64/50/373816450.db2.gz VXQKGZPEQKTMIM-OAHLLOKOSA-N 1 1 270.376 2.712 50 0 CFAAMO COc1cc(NCc2ccccc2-n2cc[nH+]c2C)ncn1 ZINC000065533991 373884333 /nfs/dbraw/zinc/88/43/33/373884333.db2.gz VCNNMJCCJNEHDF-UHFFFAOYSA-N 1 1 295.346 2.591 50 0 CFAAMO Fc1ccc([C@H]2C[N@H+](CCc3ccncc3)CCO2)cc1 ZINC000065586207 373889050 /nfs/dbraw/zinc/88/90/50/373889050.db2.gz KBJTZPKXXOMBBC-QGZVFWFLSA-N 1 1 286.350 2.837 50 0 CFAAMO Fc1ccc([C@H]2C[N@@H+](CCc3ccncc3)CCO2)cc1 ZINC000065586207 373889057 /nfs/dbraw/zinc/88/90/57/373889057.db2.gz KBJTZPKXXOMBBC-QGZVFWFLSA-N 1 1 286.350 2.837 50 0 CFAAMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000065287732 373852791 /nfs/dbraw/zinc/85/27/91/373852791.db2.gz SKJHQDVSIQBYGM-MRXNPFEDSA-N 1 1 284.407 2.986 50 0 CFAAMO Cc1cccnc1C[C@@H](C)Nc1nc(N(C)C)c(C)c[nH+]1 ZINC000065383127 373861480 /nfs/dbraw/zinc/86/14/80/373861480.db2.gz VCGVPRUYCAYUHF-CYBMUJFWSA-N 1 1 285.395 2.598 50 0 CFAAMO COc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000065398661 373865861 /nfs/dbraw/zinc/86/58/61/373865861.db2.gz JWOGPEAFQLNAAS-UHFFFAOYSA-N 1 1 284.359 2.589 50 0 CFAAMO CNC(=O)C[C@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000065395760 373866119 /nfs/dbraw/zinc/86/61/19/373866119.db2.gz ZBBJEDDVTJGHJV-UELRPHRMSA-N 1 1 260.381 2.546 50 0 CFAAMO C[C@H](CCc1ccccc1)[NH2+]CCSc1cn[nH]n1 ZINC000065398020 373867265 /nfs/dbraw/zinc/86/72/65/373867265.db2.gz GAPVOTSQBOBUDA-GFCCVEGCSA-N 1 1 276.409 2.508 50 0 CFAAMO Cc1c[nH+]c(NCc2cc(C(C)C)no2)nc1N(C)C ZINC000065421745 373868739 /nfs/dbraw/zinc/86/87/39/373868739.db2.gz DWWRJKVWCSJLKZ-UHFFFAOYSA-N 1 1 275.356 2.575 50 0 CFAAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065430688 373870948 /nfs/dbraw/zinc/87/09/48/373870948.db2.gz LYYWKHCCXZUXCH-JTQLQIEISA-N 1 1 288.313 2.662 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065453331 373873041 /nfs/dbraw/zinc/87/30/41/373873041.db2.gz MRHJOPLICFPIJJ-MRXNPFEDSA-N 1 1 286.419 2.910 50 0 CFAAMO C[N@@H+](CCC(N)=O)Cc1ccccc1-c1ccccc1 ZINC000065463421 373875250 /nfs/dbraw/zinc/87/52/50/373875250.db2.gz MFZPZKCIQMJBLM-UHFFFAOYSA-N 1 1 268.360 2.661 50 0 CFAAMO Cc1ccccc1N1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000065468810 373875265 /nfs/dbraw/zinc/87/52/65/373875265.db2.gz CTJVUQNXXFJPAN-UHFFFAOYSA-N 1 1 293.374 2.593 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000066151498 373917216 /nfs/dbraw/zinc/91/72/16/373917216.db2.gz ISWDYTOQZVLOCR-MRXNPFEDSA-N 1 1 271.360 2.558 50 0 CFAAMO Cc1ccc2cc(C[N@@H+](C)Cc3cccnc3)c(=O)[nH]c2c1 ZINC000067723837 373997444 /nfs/dbraw/zinc/99/74/44/373997444.db2.gz ZGHNSIMQVWHGLX-UHFFFAOYSA-N 1 1 293.370 2.864 50 0 CFAAMO C[N@H+]1CCC[C@@H](CNC(=O)CCCc2cccs2)C1 ZINC000067773635 374002572 /nfs/dbraw/zinc/00/25/72/374002572.db2.gz GIODROPYOVDZAT-ZDUSSCGKSA-N 1 1 280.437 2.529 50 0 CFAAMO COCC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C)cc23)CCO1 ZINC000067833394 374007189 /nfs/dbraw/zinc/00/71/89/374007189.db2.gz QBSTYCCRPDMYTL-OAHLLOKOSA-N 1 1 288.391 2.714 50 0 CFAAMO COCC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C)cc23)CCO1 ZINC000067833394 374007196 /nfs/dbraw/zinc/00/71/96/374007196.db2.gz QBSTYCCRPDMYTL-OAHLLOKOSA-N 1 1 288.391 2.714 50 0 CFAAMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000067921723 374015216 /nfs/dbraw/zinc/01/52/16/374015216.db2.gz CJLVKXKJXOZBFJ-LBPRGKRZSA-N 1 1 292.345 2.806 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ncc[nH]2)C1 ZINC000067668331 373989713 /nfs/dbraw/zinc/98/97/13/373989713.db2.gz BANFEIXULWZFHD-HNNXBMFYSA-N 1 1 298.434 2.931 50 0 CFAAMO CC[N@H+](Cc1ccc2cccc(O)c2n1)C[C@@H]1CCCO1 ZINC000067654532 373989847 /nfs/dbraw/zinc/98/98/47/373989847.db2.gz KULYFECDHLWZSC-HNNXBMFYSA-N 1 1 286.375 2.941 50 0 CFAAMO CC(C)C[N@@H+](CC(=O)N[C@H](C)c1ccco1)C1CC1 ZINC000069322036 374053608 /nfs/dbraw/zinc/05/36/08/374053608.db2.gz CRQMEQCQWGRRKN-GFCCVEGCSA-N 1 1 264.369 2.577 50 0 CFAAMO O[C@H](CN1CCC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000069326666 374054242 /nfs/dbraw/zinc/05/42/42/374054242.db2.gz PCVVMXQGOFVSSV-HZPDHXFCSA-N 1 1 294.826 2.544 50 0 CFAAMO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(-c2cccs2)on1 ZINC000069371425 374058278 /nfs/dbraw/zinc/05/82/78/374058278.db2.gz KPTKNGBRTJJKKZ-NSHDSACASA-N 1 1 288.376 2.778 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccs1 ZINC000069652075 374082363 /nfs/dbraw/zinc/08/23/63/374082363.db2.gz XEOLJAKNIMBNBW-OLZOCXBDSA-N 1 1 278.421 2.837 50 0 CFAAMO CCCC[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000069420379 374062039 /nfs/dbraw/zinc/06/20/39/374062039.db2.gz LXTDDGNVWZATPX-UHFFFAOYSA-N 1 1 278.371 2.774 50 0 CFAAMO Cn1c(C[N@H+](C2CC2)C2CCCC2)nnc1C1CC1 ZINC000069658140 374083026 /nfs/dbraw/zinc/08/30/26/374083026.db2.gz HOLVNDPXMANYOH-UHFFFAOYSA-N 1 1 260.385 2.600 50 0 CFAAMO Cn1c(C[N@@H+](C2CC2)C2CCCC2)nnc1C1CC1 ZINC000069658140 374083029 /nfs/dbraw/zinc/08/30/29/374083029.db2.gz HOLVNDPXMANYOH-UHFFFAOYSA-N 1 1 260.385 2.600 50 0 CFAAMO Cc1cc(Nc2ccc(NC3CCOCC3)cc2)nc(N)[nH+]1 ZINC000069528459 374073066 /nfs/dbraw/zinc/07/30/66/374073066.db2.gz FEIKMTTUCMORJX-UHFFFAOYSA-N 1 1 299.378 2.702 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000069967789 374112141 /nfs/dbraw/zinc/11/21/41/374112141.db2.gz SHXLGWTZMIDXBK-ZDUSSCGKSA-N 1 1 296.411 2.518 50 0 CFAAMO Cc1ccc(C(=O)N2CCC[N@H+](CC(C)C)CC2)s1 ZINC000069814940 374100095 /nfs/dbraw/zinc/10/00/95/374100095.db2.gz VQMZPTSGPABKRJ-UHFFFAOYSA-N 1 1 280.437 2.860 50 0 CFAAMO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)ccc1F ZINC000069810858 374100834 /nfs/dbraw/zinc/10/08/34/374100834.db2.gz XHIOEHOJOFSENV-CVEARBPZSA-N 1 1 290.382 2.833 50 0 CFAAMO Cc1ccc(F)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069843116 374102095 /nfs/dbraw/zinc/10/20/95/374102095.db2.gz XQWHOQGWVLLDJR-JKSUJKDBSA-N 1 1 290.382 2.833 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC3CCCC3)C2)n1 ZINC000069842261 374102162 /nfs/dbraw/zinc/10/21/62/374102162.db2.gz ABPWSXFXKYBWIZ-MRXNPFEDSA-N 1 1 276.428 2.797 50 0 CFAAMO c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CCOCO2)cc1 ZINC000069899869 374106824 /nfs/dbraw/zinc/10/68/24/374106824.db2.gz UXZHACMCGCOXEI-IRXDYDNUSA-N 1 1 275.392 2.847 50 0 CFAAMO CC(C)c1[nH+]ccn1Cc1nc(=O)c2sccc2[n-]1 ZINC000070423082 374171359 /nfs/dbraw/zinc/17/13/59/374171359.db2.gz MCADLUHRPTUTOL-UHFFFAOYSA-N 1 1 274.349 2.765 50 0 CFAAMO CCO[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071772255 374224003 /nfs/dbraw/zinc/22/40/03/374224003.db2.gz SDCUQXPVQKVHDQ-HNNXBMFYSA-N 1 1 279.355 2.899 50 0 CFAAMO CCn1nc(C)c(CCn2cc[nH+]c2C2CC2)c1C ZINC000072421037 374251988 /nfs/dbraw/zinc/25/19/88/374251988.db2.gz XBJYFOVYFUMYOO-UHFFFAOYSA-N 1 1 258.369 2.836 50 0 CFAAMO CSc1nc(C)cc(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000072476119 374255860 /nfs/dbraw/zinc/25/58/60/374255860.db2.gz NFLPELAMDZCUEA-UHFFFAOYSA-N 1 1 289.408 2.614 50 0 CFAAMO C[N@H+]1CCN(C(=O)C[C@@H]2C=CCC2)C2(CCCCC2)C1 ZINC000072306715 374244237 /nfs/dbraw/zinc/24/42/37/374244237.db2.gz FMGFIMVYJIIKQO-OAHLLOKOSA-N 1 1 276.424 2.820 50 0 CFAAMO O=c1cccc2n1CCC[N@@H+]2Cc1ccccc1Cl ZINC000072329869 374246006 /nfs/dbraw/zinc/24/60/06/374246006.db2.gz UABRXFNGUFVBCF-UHFFFAOYSA-N 1 1 274.751 2.912 50 0 CFAAMO Cc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000075108158 374458407 /nfs/dbraw/zinc/45/84/07/374458407.db2.gz WYKJSJVDKIXQCZ-AWEZNQCLSA-N 1 1 274.408 2.732 50 0 CFAAMO Cc1nnc(C[N@@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)o1 ZINC000075833937 374507093 /nfs/dbraw/zinc/50/70/93/374507093.db2.gz BEQVDYWCYNLVJQ-ZALBZXLWSA-N 1 1 293.411 2.938 50 0 CFAAMO Cc1nnc(C[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)o1 ZINC000075833937 374507102 /nfs/dbraw/zinc/50/71/02/374507102.db2.gz BEQVDYWCYNLVJQ-ZALBZXLWSA-N 1 1 293.411 2.938 50 0 CFAAMO CC(C)[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCOCC1 ZINC000077323798 374562041 /nfs/dbraw/zinc/56/20/41/374562041.db2.gz GOXLWVDPLJJINO-GOEBONIOSA-N 1 1 296.455 2.571 50 0 CFAAMO CC[N@H+](Cc1nc2c(cccc2F)[nH]1)C[C@@H]1CCOC1 ZINC000079354277 374606102 /nfs/dbraw/zinc/60/61/02/374606102.db2.gz CWMPJKRDRBFFGQ-NSHDSACASA-N 1 1 277.343 2.560 50 0 CFAAMO Cc1cc(=O)c(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000079480466 374616380 /nfs/dbraw/zinc/61/63/80/374616380.db2.gz RIICMDWTTQRFIF-AWEZNQCLSA-N 1 1 285.343 2.643 50 0 CFAAMO CCc1nsc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000088164919 374835617 /nfs/dbraw/zinc/83/56/17/374835617.db2.gz RMYJNGRYPYPHFH-FGWVZKOKSA-N 1 1 266.414 2.528 50 0 CFAAMO Cc1cccn2cc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)nc12 ZINC000089700417 374939369 /nfs/dbraw/zinc/93/93/69/374939369.db2.gz WDPKIVQMEXPVGU-AWEZNQCLSA-N 1 1 295.390 2.745 50 0 CFAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000090003985 374984733 /nfs/dbraw/zinc/98/47/33/374984733.db2.gz DMFDDORSJNNVBX-CQSZACIVSA-N 1 1 289.448 2.979 50 0 CFAAMO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000090201506 375002802 /nfs/dbraw/zinc/00/28/02/375002802.db2.gz SLUFIXKBEOJJLX-NSHDSACASA-N 1 1 297.424 2.632 50 0 CFAAMO CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091390740 375048960 /nfs/dbraw/zinc/04/89/60/375048960.db2.gz DDEIKMSCYLQTIQ-ZWKOTPCHSA-N 1 1 286.419 2.562 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1C ZINC000091632285 375054701 /nfs/dbraw/zinc/05/47/01/375054701.db2.gz OHTOEJUPYIGBJZ-XQQFMLRXSA-N 1 1 295.379 2.528 50 0 CFAAMO c1[nH]nc2c1cccc2C[N@H+]1CCOC2(CCCC2)C1 ZINC000093588991 375269695 /nfs/dbraw/zinc/26/96/95/375269695.db2.gz CKMRFLRGMGDHNJ-UHFFFAOYSA-N 1 1 271.364 2.708 50 0 CFAAMO c1ccc(-c2nc3c([nH]2)C[N@@H+]([C@H]2CCSC2)CC3)cc1 ZINC000095497059 375460865 /nfs/dbraw/zinc/46/08/65/375460865.db2.gz CQCSBGVYGIPZFU-ZDUSSCGKSA-N 1 1 285.416 2.940 50 0 CFAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000095972682 375464367 /nfs/dbraw/zinc/46/43/67/375464367.db2.gz APVUGNCZZPYUEI-CQSZACIVSA-N 1 1 271.364 2.798 50 0 CFAAMO Cc1cnc(NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)nc1 ZINC000095358844 375419557 /nfs/dbraw/zinc/41/95/57/375419557.db2.gz GBHMOJKBNDCFRY-AWEZNQCLSA-N 1 1 286.379 2.702 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NC1Cc2ccccc2C1 ZINC000095363921 375421573 /nfs/dbraw/zinc/42/15/73/375421573.db2.gz DSGXPFPINUAFKE-ZDUSSCGKSA-N 1 1 297.402 2.851 50 0 CFAAMO Cc1noc(C)c1CN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095380965 375427043 /nfs/dbraw/zinc/42/70/43/375427043.db2.gz RZRROJQLWXVBGX-AWEZNQCLSA-N 1 1 293.411 2.514 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(F)cc1 ZINC000095383657 375427285 /nfs/dbraw/zinc/42/72/85/375427285.db2.gz YDKDZVNTIFLHQY-MRXNPFEDSA-N 1 1 292.398 2.749 50 0 CFAAMO Cc1cccc(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000095387112 375428885 /nfs/dbraw/zinc/42/88/85/375428885.db2.gz BDGWBZYZVALCCH-QGZVFWFLSA-N 1 1 288.435 2.918 50 0 CFAAMO O=C(NC1CC1)[C@H]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000095408624 375434790 /nfs/dbraw/zinc/43/47/90/375434790.db2.gz SXHXUVCHTDJEGB-JQWIXIFHSA-N 1 1 293.798 2.984 50 0 CFAAMO COC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000097148076 375531607 /nfs/dbraw/zinc/53/16/07/375531607.db2.gz WRLCGEFUOINNKD-GOEBONIOSA-N 1 1 291.391 2.568 50 0 CFAAMO Cc1ccccc1-n1cnnc1SC[C@H]1CC[N@H+](C)C1 ZINC000097165085 375535560 /nfs/dbraw/zinc/53/55/60/375535560.db2.gz LSZSPPOEFJNPDT-ZDUSSCGKSA-N 1 1 288.420 2.620 50 0 CFAAMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000097236631 375543269 /nfs/dbraw/zinc/54/32/69/375543269.db2.gz CZTAHVCXMJRUNW-GFCCVEGCSA-N 1 1 282.771 2.859 50 0 CFAAMO CC(C)c1[nH+]ccn1CC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000097236186 375543449 /nfs/dbraw/zinc/54/34/49/375543449.db2.gz HUMHCQNFMMSRFY-UHFFFAOYSA-N 1 1 297.358 2.774 50 0 CFAAMO O=C(CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000097045782 375499702 /nfs/dbraw/zinc/49/97/02/375499702.db2.gz WHVVKDCXCLTFGU-RHSMWYFYSA-N 1 1 291.366 2.899 50 0 CFAAMO Cn1cc(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000097102368 375518049 /nfs/dbraw/zinc/51/80/49/375518049.db2.gz JDWCQNMWYIXXFH-SFHVURJKSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1cc(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000097102368 375518051 /nfs/dbraw/zinc/51/80/51/375518051.db2.gz JDWCQNMWYIXXFH-SFHVURJKSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000097377043 375554672 /nfs/dbraw/zinc/55/46/72/375554672.db2.gz BCKODEGBTNUOIX-ZDUSSCGKSA-N 1 1 275.421 2.936 50 0 CFAAMO [NH3+][C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097413392 375557640 /nfs/dbraw/zinc/55/76/40/375557640.db2.gz OGLQAFXYTBODCH-LBPRGKRZSA-N 1 1 288.313 2.898 50 0 CFAAMO CC(C)c1csc(CN2CCC3(C2)CC[NH2+]CC3)n1 ZINC000097474978 375564184 /nfs/dbraw/zinc/56/41/84/375564184.db2.gz XMMOCKRYTAKRHF-UHFFFAOYSA-N 1 1 279.453 2.842 50 0 CFAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000097475735 375564892 /nfs/dbraw/zinc/56/48/92/375564892.db2.gz RRYQYYVUFIGNSW-HNNXBMFYSA-N 1 1 281.396 2.810 50 0 CFAAMO CC[N@@H+](Cc1nccs1)[C@H]1CCOC(C)(C)C1 ZINC000097642629 375575825 /nfs/dbraw/zinc/57/58/25/375575825.db2.gz FMBNKPFSAPLCOD-NSHDSACASA-N 1 1 254.399 2.923 50 0 CFAAMO C1=CC[NH+](Cc2ccc(Sc3ncccn3)o2)C1 ZINC000101168080 375633772 /nfs/dbraw/zinc/63/37/72/375633772.db2.gz NNNMUTUTLJYGDK-UHFFFAOYSA-N 1 1 259.334 2.593 50 0 CFAAMO CC1=C[C@H](C)[C@@H](COC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000101512643 375637060 /nfs/dbraw/zinc/63/70/60/375637060.db2.gz DUHAEGVEICDSOU-SOUVJXGZSA-N 1 1 265.397 2.864 50 0 CFAAMO c1csc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000108326318 375815990 /nfs/dbraw/zinc/81/59/90/375815990.db2.gz DKRIXOQKGBHLAU-RYUDHWBXSA-N 1 1 284.450 2.630 50 0 CFAAMO c1csc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000108326318 375815996 /nfs/dbraw/zinc/81/59/96/375815996.db2.gz DKRIXOQKGBHLAU-RYUDHWBXSA-N 1 1 284.450 2.630 50 0 CFAAMO Clc1ccccc1-c1noc(C[NH+]2CCCC2)n1 ZINC000048342079 412902257 /nfs/dbraw/zinc/90/22/57/412902257.db2.gz GWAIJSXWTIOFGE-UHFFFAOYSA-N 1 1 263.728 2.986 50 0 CFAAMO FC(F)(F)COCC[N@@H+]1CCc2ccccc2C1 ZINC000170629726 379131041 /nfs/dbraw/zinc/13/10/41/379131041.db2.gz MZFUYPJGFGHFJJ-UHFFFAOYSA-N 1 1 259.271 2.624 50 0 CFAAMO FC(F)(F)COCC[N@H+]1CCc2ccccc2C1 ZINC000170629726 379131044 /nfs/dbraw/zinc/13/10/44/379131044.db2.gz MZFUYPJGFGHFJJ-UHFFFAOYSA-N 1 1 259.271 2.624 50 0 CFAAMO CCC(C)(C)NC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000170639842 379132573 /nfs/dbraw/zinc/13/25/73/379132573.db2.gz GMAOSIITPBSKSZ-UHFFFAOYSA-N 1 1 254.418 2.803 50 0 CFAAMO C[NH+](C)C1(C(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000408524279 380939670 /nfs/dbraw/zinc/93/96/70/380939670.db2.gz ZFFQOJGINXBZFS-UHFFFAOYSA-N 1 1 254.280 2.657 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2F)C1 ZINC000049396748 412942112 /nfs/dbraw/zinc/94/21/12/412942112.db2.gz HLQDFDZBWAVWNA-GFCCVEGCSA-N 1 1 279.359 2.678 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000000200676 169572332 /nfs/dbraw/zinc/57/23/32/169572332.db2.gz OZXIEYSSLNEUEL-LBPRGKRZSA-N 1 1 253.367 2.523 50 0 CFAAMO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2ccsc2)C1 ZINC000291299443 381740805 /nfs/dbraw/zinc/74/08/05/381740805.db2.gz QLETXNTTWNWIBU-INIZCTEOSA-N 1 1 273.401 2.884 50 0 CFAAMO CCOC1CC2(C1)CC[N@@H+](Cc1cnc(N(C)C)s1)C2 ZINC000348866740 381744210 /nfs/dbraw/zinc/74/42/10/381744210.db2.gz HBESOKHFABWJCQ-UHFFFAOYSA-N 1 1 295.452 2.600 50 0 CFAAMO CC(C)c1cc(C[N@@H+](C)CCC(=O)NC(C)(C)C)on1 ZINC000299766656 382043510 /nfs/dbraw/zinc/04/35/10/382043510.db2.gz DXJCRQAXEASIFW-UHFFFAOYSA-N 1 1 281.400 2.535 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCN1CC(Oc2ccccc2F)C1 ZINC000299780363 382046421 /nfs/dbraw/zinc/04/64/21/382046421.db2.gz KVRFQIRLZASICI-CQSZACIVSA-N 1 1 292.398 2.763 50 0 CFAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ncccc3C)[C@H]2C1 ZINC000299783662 382046476 /nfs/dbraw/zinc/04/64/76/382046476.db2.gz XIUYGHMLZSPRQN-HYVNUMGLSA-N 1 1 290.407 2.548 50 0 CFAAMO COCC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(F)cc1 ZINC000299799600 382049912 /nfs/dbraw/zinc/04/99/12/382049912.db2.gz SVPLYXBAFCRKBL-GFCCVEGCSA-N 1 1 294.370 2.511 50 0 CFAAMO Cc1cccc(N(C)Cc2c[nH+]c(N(C)C)n2C)c1C ZINC000328595010 382549743 /nfs/dbraw/zinc/54/97/43/382549743.db2.gz INHVNTONONRBCQ-UHFFFAOYSA-N 1 1 272.396 2.739 50 0 CFAAMO C1=C(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CCCC1 ZINC000328597634 382551704 /nfs/dbraw/zinc/55/17/04/382551704.db2.gz IGPYNGFFKXEVHG-OAHLLOKOSA-N 1 1 286.423 2.904 50 0 CFAAMO Cc1cc(NC(=O)C[NH+](C)C)ccc1Oc1ccncc1 ZINC000192592043 382710443 /nfs/dbraw/zinc/71/04/43/382710443.db2.gz UDABJKFKWOQWBV-UHFFFAOYSA-N 1 1 285.347 2.682 50 0 CFAAMO Cc1ccc(CNCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000195443185 382767937 /nfs/dbraw/zinc/76/79/37/382767937.db2.gz ZGXGRDMVFWWGKR-UHFFFAOYSA-N 1 1 296.842 2.849 50 0 CFAAMO Cc1c[nH+]c(C2CN(Cc3ccccn3)C2)n1CC1CC1 ZINC000575553684 382773753 /nfs/dbraw/zinc/77/37/53/382773753.db2.gz DUPCVOQQJHJYQB-UHFFFAOYSA-N 1 1 282.391 2.596 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H]1CN(Cc1cc(-c3ccccc3)no1)C2 ZINC000215239435 382777899 /nfs/dbraw/zinc/77/78/99/382777899.db2.gz UPWYLIVCFFGIFL-HOCLYGCPSA-N 1 1 297.402 2.868 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)nc2)C1 ZINC000215474605 382779023 /nfs/dbraw/zinc/77/90/23/382779023.db2.gz FDXSNHWMJXYXSS-LBPRGKRZSA-N 1 1 289.404 2.673 50 0 CFAAMO COCc1cc(C[N@@H+](C)Cc2c[nH]nc2C)ccc1OC ZINC000216273918 382782486 /nfs/dbraw/zinc/78/24/86/382782486.db2.gz GERQBSZPWDXULF-UHFFFAOYSA-N 1 1 289.379 2.505 50 0 CFAAMO CC(C)c1nc(C[NH+]2CCC(Cn3ccnc3)CC2)co1 ZINC000216516013 382783734 /nfs/dbraw/zinc/78/37/34/382783734.db2.gz PKDIXMHGXRRSJY-UHFFFAOYSA-N 1 1 288.395 2.907 50 0 CFAAMO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000216542445 382784126 /nfs/dbraw/zinc/78/41/26/382784126.db2.gz MCYUPYGTGVOLLU-HNNXBMFYSA-N 1 1 281.359 2.572 50 0 CFAAMO O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000216542445 382784127 /nfs/dbraw/zinc/78/41/27/382784127.db2.gz MCYUPYGTGVOLLU-HNNXBMFYSA-N 1 1 281.359 2.572 50 0 CFAAMO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@](C)(CO)C1 ZINC000225469339 382816751 /nfs/dbraw/zinc/81/67/51/382816751.db2.gz AKKGIASRBFCNHM-HNNXBMFYSA-N 1 1 283.799 2.943 50 0 CFAAMO COc1cc(Cl)ccc1C[N@H+]1CCC[C@](C)(CO)C1 ZINC000225469339 382816752 /nfs/dbraw/zinc/81/67/52/382816752.db2.gz AKKGIASRBFCNHM-HNNXBMFYSA-N 1 1 283.799 2.943 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000225563682 382818631 /nfs/dbraw/zinc/81/86/31/382818631.db2.gz MHWLXAGRVWUKOX-KGLIPLIRSA-N 1 1 255.402 2.944 50 0 CFAAMO O=C(c1ccoc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225687258 382820547 /nfs/dbraw/zinc/82/05/47/382820547.db2.gz DVNCGLZVUOIFFX-KRWDZBQOSA-N 1 1 296.370 2.552 50 0 CFAAMO Cc1ccc(CCCC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000230207368 382857583 /nfs/dbraw/zinc/85/75/83/382857583.db2.gz JYUPEARTTUDPCL-HZPDHXFCSA-N 1 1 288.435 2.869 50 0 CFAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COC(C)C ZINC000230201143 382857588 /nfs/dbraw/zinc/85/75/88/382857588.db2.gz NBHFSBMZWIEKSW-TZMCWYRMSA-N 1 1 283.437 2.843 50 0 CFAAMO CCc1nnc(C[N@@H+]2CCC3(C2)CCCCCC3)[nH]1 ZINC000240517133 382982775 /nfs/dbraw/zinc/98/27/75/382982775.db2.gz NVJXUGSJFCEQRH-UHFFFAOYSA-N 1 1 262.401 2.913 50 0 CFAAMO CCc1nnc(C[N@H+]2CCC3(C2)CCCCCC3)[nH]1 ZINC000240517133 382982777 /nfs/dbraw/zinc/98/27/77/382982777.db2.gz NVJXUGSJFCEQRH-UHFFFAOYSA-N 1 1 262.401 2.913 50 0 CFAAMO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000242048154 382984602 /nfs/dbraw/zinc/98/46/02/382984602.db2.gz VTIIUUBKLZEWLN-HOTGVXAUSA-N 1 1 277.408 2.572 50 0 CFAAMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccncc1 ZINC000242339003 382985336 /nfs/dbraw/zinc/98/53/36/382985336.db2.gz ZECYFNBJTFMRMD-HOTGVXAUSA-N 1 1 259.397 2.530 50 0 CFAAMO CCc1ccc(C[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000242463368 382985821 /nfs/dbraw/zinc/98/58/21/382985821.db2.gz CZHRRKKPZIBEFS-JKIFEVAISA-N 1 1 261.409 2.883 50 0 CFAAMO Cc1cnccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000244690866 382988868 /nfs/dbraw/zinc/98/88/68/382988868.db2.gz IYJZNCSPZYLACB-UHFFFAOYSA-N 1 1 273.424 2.840 50 0 CFAAMO COCC1([N@@H+](C)CCC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000244594104 382989051 /nfs/dbraw/zinc/98/90/51/382989051.db2.gz DGKZTVUWEIDALL-UHFFFAOYSA-N 1 1 290.407 2.743 50 0 CFAAMO COc1cccc([C@H]2CC[N@@H+]2CCn2cc(Cl)cn2)c1 ZINC000244866345 382994295 /nfs/dbraw/zinc/99/42/95/382994295.db2.gz VUIVFQVDAYXJCJ-OAHLLOKOSA-N 1 1 291.782 2.992 50 0 CFAAMO COc1cccc([C@H]2CC[N@H+]2CCn2cc(Cl)cn2)c1 ZINC000244866345 382994299 /nfs/dbraw/zinc/99/42/99/382994299.db2.gz VUIVFQVDAYXJCJ-OAHLLOKOSA-N 1 1 291.782 2.992 50 0 CFAAMO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2nccs2)c1 ZINC000244882897 382994754 /nfs/dbraw/zinc/99/47/54/382994754.db2.gz YBDYMBRGXKIZQA-LBPRGKRZSA-N 1 1 261.394 2.910 50 0 CFAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2nccs2)c1 ZINC000244882897 382994756 /nfs/dbraw/zinc/99/47/56/382994756.db2.gz YBDYMBRGXKIZQA-LBPRGKRZSA-N 1 1 261.394 2.910 50 0 CFAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000247084234 383141666 /nfs/dbraw/zinc/14/16/66/383141666.db2.gz HFNMMTITZWRULZ-CABCVRRESA-N 1 1 277.412 2.743 50 0 CFAAMO C[C@@H]1C[C@H](C)CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246568434 383082908 /nfs/dbraw/zinc/08/29/08/383082908.db2.gz MFWHXWPFJOZKPR-RBSFLKMASA-N 1 1 293.455 2.548 50 0 CFAAMO COc1cc(C[NH2+]Cc2ccc(Cl)s2)on1 ZINC000585117120 383114678 /nfs/dbraw/zinc/11/46/78/383114678.db2.gz RMIHYAKRRHNWTG-UHFFFAOYSA-N 1 1 258.730 2.688 50 0 CFAAMO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000585132336 383116677 /nfs/dbraw/zinc/11/66/77/383116677.db2.gz ULRCFFVEGJVDJE-QWQRMKEZSA-N 1 1 286.419 2.768 50 0 CFAAMO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000585132333 383116702 /nfs/dbraw/zinc/11/67/02/383116702.db2.gz ULRCFFVEGJVDJE-GLJUWKHASA-N 1 1 286.419 2.768 50 0 CFAAMO Fc1cccc(CN2CCC[N@H+]3CCC[C@H]3C2)c1F ZINC000247495157 383178015 /nfs/dbraw/zinc/17/80/15/383178015.db2.gz CUJJXLQVUTXTKU-ZDUSSCGKSA-N 1 1 266.335 2.635 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000247965771 383203223 /nfs/dbraw/zinc/20/32/23/383203223.db2.gz QKMYYTBTTCQNGD-RBSFLKMASA-N 1 1 299.374 2.752 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000248010671 383206093 /nfs/dbraw/zinc/20/60/93/383206093.db2.gz XUUHWBJKVBJCFR-RBSFLKMASA-N 1 1 266.429 2.946 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000248160960 383216014 /nfs/dbraw/zinc/21/60/14/383216014.db2.gz XLXLCEMQXVMLKW-ZIAGYGMSSA-N 1 1 294.345 2.664 50 0 CFAAMO C[C@H](CC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 ZINC000249031036 383317743 /nfs/dbraw/zinc/31/77/43/383317743.db2.gz RDHRJKZXSBQHAD-KFWWJZLASA-N 1 1 297.464 2.934 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000252476970 383409975 /nfs/dbraw/zinc/40/99/75/383409975.db2.gz FUSCLSLEFKWWKU-HOTGVXAUSA-N 1 1 295.471 2.938 50 0 CFAAMO C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000252477096 383410489 /nfs/dbraw/zinc/41/04/89/383410489.db2.gz HZKFRGIQKXTRFS-RDJZCZTQSA-N 1 1 274.408 2.624 50 0 CFAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(C)CC1 ZINC000252480273 383410912 /nfs/dbraw/zinc/41/09/12/383410912.db2.gz BZFYCHGPNIQVOI-QGZVFWFLSA-N 1 1 284.403 2.612 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)nc1 ZINC000252481597 383410927 /nfs/dbraw/zinc/41/09/27/383410927.db2.gz COYFQBKHCVHTAC-CQSZACIVSA-N 1 1 270.380 2.747 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000249698271 383356921 /nfs/dbraw/zinc/35/69/21/383356921.db2.gz VUJNITCHSFCSGP-HUUCEWRRSA-N 1 1 292.448 2.766 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccco1 ZINC000249694646 383356968 /nfs/dbraw/zinc/35/69/68/383356968.db2.gz PKSJFPMRHJWCKP-HZPDHXFCSA-N 1 1 290.407 2.688 50 0 CFAAMO Cc1ccc2[nH]c(C[N@H+](C)CC3(C)COC3)nc2c1C ZINC000252499183 383414254 /nfs/dbraw/zinc/41/42/54/383414254.db2.gz RWTFGSVZCLFYLR-UHFFFAOYSA-N 1 1 273.380 2.648 50 0 CFAAMO Cc1ccc2nc(C[N@@H+](C)CC3(C)COC3)[nH]c2c1C ZINC000252499183 383414263 /nfs/dbraw/zinc/41/42/63/383414263.db2.gz RWTFGSVZCLFYLR-UHFFFAOYSA-N 1 1 273.380 2.648 50 0 CFAAMO Cc1ccc2nc(C[N@H+](C)CC3(C)COC3)[nH]c2c1C ZINC000252499183 383414268 /nfs/dbraw/zinc/41/42/68/383414268.db2.gz RWTFGSVZCLFYLR-UHFFFAOYSA-N 1 1 273.380 2.648 50 0 CFAAMO CCOC(=O)C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253392226 383455142 /nfs/dbraw/zinc/45/51/42/383455142.db2.gz NMEQGSJOIDVXSA-GJZGRUSLSA-N 1 1 295.354 2.541 50 0 CFAAMO CCOC(=O)C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253392226 383455148 /nfs/dbraw/zinc/45/51/48/383455148.db2.gz NMEQGSJOIDVXSA-GJZGRUSLSA-N 1 1 295.354 2.541 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N(C)C1CCCC1 ZINC000253395157 383455198 /nfs/dbraw/zinc/45/51/98/383455198.db2.gz NRYQQJNAMLSUHL-OAHLLOKOSA-N 1 1 290.411 2.650 50 0 CFAAMO c1cn(CCC[N@H+]2CCO[C@H](C3CCCCC3)C2)cn1 ZINC000253427087 383458488 /nfs/dbraw/zinc/45/84/88/383458488.db2.gz DDJHDHAJTHHMTI-INIZCTEOSA-N 1 1 277.412 2.554 50 0 CFAAMO Cc1nnc(CCC[N@H+](C)[C@@H]2CCCC[C@H]2C)o1 ZINC000252586450 383421089 /nfs/dbraw/zinc/42/10/89/383421089.db2.gz QCUFXDALUKBVLR-DGCLKSJQSA-N 1 1 251.374 2.821 50 0 CFAAMO CC[N@@H+](CCc1cnn(C)c1)Cc1ccccc1C ZINC000265583814 383951313 /nfs/dbraw/zinc/95/13/13/383951313.db2.gz JLBMWVVEOOTYAN-UHFFFAOYSA-N 1 1 257.381 2.793 50 0 CFAAMO Cn1cc(CC[N@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC000265623347 383960665 /nfs/dbraw/zinc/96/06/65/383960665.db2.gz RBYNYUATUMOVGP-MRXNPFEDSA-N 1 1 255.365 2.800 50 0 CFAAMO Cc1ccc(NCCCNC(=O)C[C@@H]2C=CCC2)[nH+]c1 ZINC000265637295 383964375 /nfs/dbraw/zinc/96/43/75/383964375.db2.gz UUEDECHQJMDZJJ-CQSZACIVSA-N 1 1 273.380 2.665 50 0 CFAAMO Cc1cccc(NCc2ccc(-n3cncn3)c(C)c2)[nH+]1 ZINC000095427521 184979734 /nfs/dbraw/zinc/97/97/34/184979734.db2.gz PEEQKWLKHKFLET-UHFFFAOYSA-N 1 1 279.347 2.891 50 0 CFAAMO Cc1nnc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000245316824 131085018 /nfs/dbraw/zinc/08/50/18/131085018.db2.gz KRXPEHWZHYLIAU-ZWNOBZJWSA-N 1 1 275.327 2.895 50 0 CFAAMO c1cn(-c2ccc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)cc2)cn1 ZINC000245338712 131085516 /nfs/dbraw/zinc/08/55/16/131085516.db2.gz NZJMBOSCGSHZHF-IAGOWNOFSA-N 1 1 283.375 2.626 50 0 CFAAMO Nc1cccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000005335355 393460867 /nfs/dbraw/zinc/46/08/67/393460867.db2.gz QMUPZBBJTKGJIF-GDBMZVCRSA-N 1 1 288.391 2.690 50 0 CFAAMO CC(C)CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000053392035 393619263 /nfs/dbraw/zinc/61/92/63/393619263.db2.gz QKJUGQMOVOZXMO-ZDUSSCGKSA-N 1 1 254.418 2.659 50 0 CFAAMO C[C@H](CC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000193963008 393669012 /nfs/dbraw/zinc/66/90/12/393669012.db2.gz RDHRJKZXSBQHAD-QLFBSQMISA-N 1 1 297.464 2.934 50 0 CFAAMO CCC[C@]1(COC)CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000194937529 393723950 /nfs/dbraw/zinc/72/39/50/393723950.db2.gz YLOFCJPXQFIVPT-OAHLLOKOSA-N 1 1 279.384 2.728 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cnccn2)C1 ZINC000241588211 393798012 /nfs/dbraw/zinc/79/80/12/393798012.db2.gz PAVPJDFTOOKOFZ-LSDHHAIUSA-N 1 1 274.412 2.567 50 0 CFAAMO Cc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000095460798 393812647 /nfs/dbraw/zinc/81/26/47/393812647.db2.gz XVAZCKWHFWEZGZ-OAHLLOKOSA-N 1 1 275.396 2.799 50 0 CFAAMO O[C@@H](C[N@@H+](CCc1ccncc1)C1CC1)c1ccccc1 ZINC000096410361 393823877 /nfs/dbraw/zinc/82/38/77/393823877.db2.gz LCDHUNOHBULWFZ-SFHVURJKSA-N 1 1 282.387 2.822 50 0 CFAAMO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000096414985 393826076 /nfs/dbraw/zinc/82/60/76/393826076.db2.gz KYLMXVANZPRWHC-HOCLYGCPSA-N 1 1 291.366 2.899 50 0 CFAAMO C[C@H](O)C[N@@H+](CCc1ccncc1)Cc1ccccc1 ZINC000096421164 393828558 /nfs/dbraw/zinc/82/85/58/393828558.db2.gz XBCOWRXLROJRFG-HNNXBMFYSA-N 1 1 270.376 2.507 50 0 CFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC000096432451 393832705 /nfs/dbraw/zinc/83/27/05/393832705.db2.gz JAQHZORBDHAHRD-QWHCGFSZSA-N 1 1 280.437 2.652 50 0 CFAAMO O=C(NCCC(F)(F)F)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452108 393833530 /nfs/dbraw/zinc/83/35/30/393833530.db2.gz UMSOZSNNQIXWDX-LLVKDONJSA-N 1 1 292.345 2.710 50 0 CFAAMO C[N@@H+](Cc1nc(-c2ccoc2)no1)C(C1CC1)C1CC1 ZINC000105608726 393864670 /nfs/dbraw/zinc/86/46/70/393864670.db2.gz NLQIKFUDOFXWOD-UHFFFAOYSA-N 1 1 273.336 2.950 50 0 CFAAMO Cc1nnc([C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000247169783 393894025 /nfs/dbraw/zinc/89/40/25/393894025.db2.gz RBKXOLYSNQHGPO-JKSUJKDBSA-N 1 1 298.390 2.564 50 0 CFAAMO Cc1nnc([C@H]2C[N@H+]([C@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000247169783 393894033 /nfs/dbraw/zinc/89/40/33/393894033.db2.gz RBKXOLYSNQHGPO-JKSUJKDBSA-N 1 1 298.390 2.564 50 0 CFAAMO C[N@@H+](CCOc1cccc(Cl)c1)CCc1cn[nH]c1 ZINC000252486831 393935369 /nfs/dbraw/zinc/93/53/69/393935369.db2.gz HPDVKJKUBJUURJ-UHFFFAOYSA-N 1 1 279.771 2.616 50 0 CFAAMO C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000089340289 135059209 /nfs/dbraw/zinc/05/92/09/135059209.db2.gz HZKFRGIQKXTRFS-DOTOQJQBSA-N 1 1 274.408 2.624 50 0 CFAAMO Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000215150114 397619272 /nfs/dbraw/zinc/61/92/72/397619272.db2.gz TXMUFXVPGQWNCS-HNNXBMFYSA-N 1 1 298.434 2.914 50 0 CFAAMO CSc1nc(N)cc(N[C@@H](C)Cc2ncccc2C)[nH+]1 ZINC000824952205 782000165 /nfs/dbraw/zinc/00/01/65/782000165.db2.gz LYIBPAMKLWQSGW-JTQLQIEISA-N 1 1 289.408 2.527 50 0 CFAAMO c1nc(C[NH+]2CCC3(CCOCC3)CC2)cs1 ZINC000367069038 156275881 /nfs/dbraw/zinc/27/58/81/156275881.db2.gz SKFFUZXVKKDPKC-UHFFFAOYSA-N 1 1 252.383 2.536 50 0 CFAAMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCC1 ZINC000004745237 170010625 /nfs/dbraw/zinc/01/06/25/170010625.db2.gz POWDRGBDVHKSNW-OAHLLOKOSA-N 1 1 290.382 2.660 50 0 CFAAMO C[NH+](C)Cc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000004795658 170018478 /nfs/dbraw/zinc/01/84/78/170018478.db2.gz XBRORBOFNYYHIM-UHFFFAOYSA-N 1 1 289.400 2.722 50 0 CFAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000005731419 170135005 /nfs/dbraw/zinc/13/50/05/170135005.db2.gz OVXHCXQXXLLNRL-MSOLQXFVSA-N 1 1 294.398 2.778 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000006008121 170167679 /nfs/dbraw/zinc/16/76/79/170167679.db2.gz SPIIONDFFFARTK-IJEWVQPXSA-N 1 1 295.398 2.681 50 0 CFAAMO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000007486561 170286614 /nfs/dbraw/zinc/28/66/14/170286614.db2.gz IHWAUHMWVUWKOF-LBPRGKRZSA-N 1 1 292.379 2.517 50 0 CFAAMO COc1ccc(OC)c(NC(=O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000007486561 170286615 /nfs/dbraw/zinc/28/66/15/170286615.db2.gz IHWAUHMWVUWKOF-LBPRGKRZSA-N 1 1 292.379 2.517 50 0 CFAAMO COc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000007486591 170287094 /nfs/dbraw/zinc/28/70/94/170287094.db2.gz OSHBYXRBAYKSCF-LBPRGKRZSA-N 1 1 262.353 2.508 50 0 CFAAMO COc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000007486591 170287096 /nfs/dbraw/zinc/28/70/96/170287096.db2.gz OSHBYXRBAYKSCF-LBPRGKRZSA-N 1 1 262.353 2.508 50 0 CFAAMO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000008126995 170319924 /nfs/dbraw/zinc/31/99/24/170319924.db2.gz OQCMPBRPYLGKRN-MRXNPFEDSA-N 1 1 274.408 2.768 50 0 CFAAMO COc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000008844754 170357289 /nfs/dbraw/zinc/35/72/89/170357289.db2.gz XMINUIDWVAVVHB-HNNXBMFYSA-N 1 1 293.407 2.699 50 0 CFAAMO CC[C@@H](C1N=NC(=S)N1Cc1ccccc1)[NH+](C)C ZINC000020267838 171123928 /nfs/dbraw/zinc/12/39/28/171123928.db2.gz BQLLTQKBSSQCSA-LBPRGKRZSA-N 1 1 276.409 2.628 50 0 CFAAMO CC[C@H](C1N=NC(=S)N1Cc1ccccc1)[NH+](C)C ZINC000020267836 171123958 /nfs/dbraw/zinc/12/39/58/171123958.db2.gz BQLLTQKBSSQCSA-GFCCVEGCSA-N 1 1 276.409 2.628 50 0 CFAAMO CN1CC[NH+](CCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020653522 171269418 /nfs/dbraw/zinc/26/94/18/171269418.db2.gz WDDRFQPBKOXRKC-UHFFFAOYSA-N 1 1 296.414 2.980 50 0 CFAAMO CCCC[N@H+](CCCCO)C[C@@H]1CCCN(C(C)C)C1 ZINC000020864276 171276642 /nfs/dbraw/zinc/27/66/42/171276642.db2.gz QHAUDDBHXNALJV-KRWDZBQOSA-N 1 1 284.488 2.981 50 0 CFAAMO CCCC[N@@H+](CCCCO)C[C@@H]1CCCN(C(C)C)C1 ZINC000020864276 171276643 /nfs/dbraw/zinc/27/66/43/171276643.db2.gz QHAUDDBHXNALJV-KRWDZBQOSA-N 1 1 284.488 2.981 50 0 CFAAMO CCCOc1ccc(Cl)cc1CNCC[NH+](C)C ZINC000020967789 171282607 /nfs/dbraw/zinc/28/26/07/171282607.db2.gz XDZVTMPSYHAJBM-UHFFFAOYSA-N 1 1 270.804 2.780 50 0 CFAAMO CCCOc1ccc(CNCCC[NH2+]C)cc1OCC ZINC000020968258 171282646 /nfs/dbraw/zinc/28/26/46/171282646.db2.gz SECUWTUTEJRUQP-UHFFFAOYSA-N 1 1 280.412 2.573 50 0 CFAAMO Cc1noc2ncnc(NCC[N@H+](C)C3CCCCC3)c12 ZINC000021714716 171319686 /nfs/dbraw/zinc/31/96/86/171319686.db2.gz QWKYXPTTXOTKLG-UHFFFAOYSA-N 1 1 289.383 2.603 50 0 CFAAMO C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000022113759 171353095 /nfs/dbraw/zinc/35/30/95/171353095.db2.gz JCGKNAFPLNQLDQ-GXTWGEPZSA-N 1 1 276.380 2.957 50 0 CFAAMO C[C@H](Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000022455183 171388107 /nfs/dbraw/zinc/38/81/07/171388107.db2.gz ACGFNPWIRRMPMD-GFCCVEGCSA-N 1 1 286.341 2.884 50 0 CFAAMO Cc1cccc(-n2nnnc2C(C)(C)[NH+]2CCCCC2)c1 ZINC000035622480 172304288 /nfs/dbraw/zinc/30/42/88/172304288.db2.gz DRTQZYOYSULZSZ-UHFFFAOYSA-N 1 1 285.395 2.692 50 0 CFAAMO COc1ccc(-c2noc([C@@H]([NH3+])C(C)(C)C)n2)cc1 ZINC000035660407 172337311 /nfs/dbraw/zinc/33/73/11/172337311.db2.gz VZSPNWBEFPHKET-LLVKDONJSA-N 1 1 261.325 2.791 50 0 CFAAMO Cc1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)nc(C)[nH+]1 ZINC000040051210 174185127 /nfs/dbraw/zinc/18/51/27/174185127.db2.gz VFTLBDLDHJBFEQ-GFCCVEGCSA-N 1 1 294.362 2.847 50 0 CFAAMO COc1ccccc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000040145623 174194893 /nfs/dbraw/zinc/19/48/93/174194893.db2.gz HDHYMVQADYZCMZ-ZDUSSCGKSA-N 1 1 291.395 2.691 50 0 CFAAMO CC[N@@H+]1CCc2nc(NC(=O)C[C@@H]3C=CCC3)sc2C1 ZINC000040472933 174281281 /nfs/dbraw/zinc/28/12/81/174281281.db2.gz DZOXFQWTMMHZDM-LLVKDONJSA-N 1 1 291.420 2.816 50 0 CFAAMO CC[N@H+]1CCc2nc(NC(=O)C[C@@H]3C=CCC3)sc2C1 ZINC000040472933 174281283 /nfs/dbraw/zinc/28/12/83/174281283.db2.gz DZOXFQWTMMHZDM-LLVKDONJSA-N 1 1 291.420 2.816 50 0 CFAAMO Cc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000040525315 174313195 /nfs/dbraw/zinc/31/31/95/174313195.db2.gz IFMIUNJLUCPAJR-ZDUSSCGKSA-N 1 1 273.380 2.601 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@@H]2C=CCC2)cn1 ZINC000040554386 174330432 /nfs/dbraw/zinc/33/04/32/174330432.db2.gz PWDWMEANLBOLQM-CYBMUJFWSA-N 1 1 282.347 2.871 50 0 CFAAMO Cc1cc([C@@H]2CCCN2c2cc(C)[nH+]c(C)n2)no1 ZINC000044725052 175237250 /nfs/dbraw/zinc/23/72/50/175237250.db2.gz JBNSFXRZFSITSP-ZDUSSCGKSA-N 1 1 258.325 2.731 50 0 CFAAMO Cc1ccc(C[N@@H+](CCC(=O)NC2CC2)C2CC2)cc1 ZINC000045783886 175383577 /nfs/dbraw/zinc/38/35/77/175383577.db2.gz ZKHQEHNCWQKODH-UHFFFAOYSA-N 1 1 272.392 2.628 50 0 CFAAMO C[N@H+](CC(=O)NCC1CC1)Cc1csc2ccccc12 ZINC000046089502 175392752 /nfs/dbraw/zinc/39/27/52/175392752.db2.gz ZJKHIMOXCHGDDM-UHFFFAOYSA-N 1 1 288.416 2.859 50 0 CFAAMO C[N@@H+](CC(=O)NCC1CC1)Cc1csc2ccccc12 ZINC000046089502 175392753 /nfs/dbraw/zinc/39/27/53/175392753.db2.gz ZJKHIMOXCHGDDM-UHFFFAOYSA-N 1 1 288.416 2.859 50 0 CFAAMO C[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000055080724 175568270 /nfs/dbraw/zinc/56/82/70/175568270.db2.gz UQMBBVJONOMWES-HWKANZROSA-N 1 1 299.201 2.781 50 0 CFAAMO CCC(CC)CC(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000071761071 176261391 /nfs/dbraw/zinc/26/13/91/176261391.db2.gz QSLCGVUICZLQOV-CYBMUJFWSA-N 1 1 266.429 2.898 50 0 CFAAMO CCC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000071793739 176263809 /nfs/dbraw/zinc/26/38/09/176263809.db2.gz DFBQDJFGQQQDFT-UHFFFAOYSA-N 1 1 266.772 2.508 50 0 CFAAMO Cn1cc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)cn1 ZINC000071797316 176264975 /nfs/dbraw/zinc/26/49/75/176264975.db2.gz SJUJTWYQLHBOAE-CQSZACIVSA-N 1 1 282.347 2.898 50 0 CFAAMO Cn1cc([C@H]2CCC[N@H+]2Cc2nc3ccccc3o2)cn1 ZINC000071797316 176264976 /nfs/dbraw/zinc/26/49/76/176264976.db2.gz SJUJTWYQLHBOAE-CQSZACIVSA-N 1 1 282.347 2.898 50 0 CFAAMO Cc1n[nH]cc1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000071819539 176270554 /nfs/dbraw/zinc/27/05/54/176270554.db2.gz IWDGNMXXIRQRAI-UHFFFAOYSA-N 1 1 284.407 2.604 50 0 CFAAMO NC(=O)[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000071824491 176271489 /nfs/dbraw/zinc/27/14/89/176271489.db2.gz QDLVYZIFXWWINH-HOTGVXAUSA-N 1 1 284.334 2.629 50 0 CFAAMO C[N@H+](Cc1nnc(C2CC2)o1)C1Cc2ccccc2C1 ZINC000071825441 176271667 /nfs/dbraw/zinc/27/16/67/176271667.db2.gz GOZHIEYREJJURI-UHFFFAOYSA-N 1 1 269.348 2.546 50 0 CFAAMO C[N@@H+](Cc1nnc(C2CC2)o1)C1Cc2ccccc2C1 ZINC000071825441 176271668 /nfs/dbraw/zinc/27/16/68/176271668.db2.gz GOZHIEYREJJURI-UHFFFAOYSA-N 1 1 269.348 2.546 50 0 CFAAMO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)N1CCCCCC1 ZINC000071897190 176293139 /nfs/dbraw/zinc/29/31/39/176293139.db2.gz QCUKFYLQMJXQON-AWEZNQCLSA-N 1 1 290.407 2.788 50 0 CFAAMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000071897190 176293141 /nfs/dbraw/zinc/29/31/41/176293141.db2.gz QCUKFYLQMJXQON-AWEZNQCLSA-N 1 1 290.407 2.788 50 0 CFAAMO CCC(C)(CC)NC(=O)CCCn1cc[nH+]c1C ZINC000071904033 176295054 /nfs/dbraw/zinc/29/50/54/176295054.db2.gz XQWFPZYBRBRJEF-UHFFFAOYSA-N 1 1 251.374 2.667 50 0 CFAAMO NC(=O)[C@H]([NH2+]CCOC1CCCCCC1)c1ccccc1 ZINC000071911236 176297421 /nfs/dbraw/zinc/29/74/21/176297421.db2.gz KIYWUGXCZOGCFL-MRXNPFEDSA-N 1 1 290.407 2.542 50 0 CFAAMO CC[C@H](C)C(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000071911416 176298034 /nfs/dbraw/zinc/29/80/34/176298034.db2.gz SGSTZAXJLKAIIC-GXTWGEPZSA-N 1 1 275.396 2.839 50 0 CFAAMO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2cccnc2)oc1C ZINC000071915615 176299564 /nfs/dbraw/zinc/29/95/64/176299564.db2.gz QHFYQRXEKNWZNZ-NSHDSACASA-N 1 1 288.347 2.963 50 0 CFAAMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)oc1C ZINC000071915615 176299566 /nfs/dbraw/zinc/29/95/66/176299566.db2.gz QHFYQRXEKNWZNZ-NSHDSACASA-N 1 1 288.347 2.963 50 0 CFAAMO O=C1NC[C@]2(CCC[N@@H+](C/C=C/c3ccccc3)CC2)O1 ZINC000072156696 176328877 /nfs/dbraw/zinc/32/88/77/176328877.db2.gz QKSISHXWYAVMTL-IOMDMTNGSA-N 1 1 286.375 2.664 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C)C2)C1 ZINC000072274366 176355796 /nfs/dbraw/zinc/35/57/96/176355796.db2.gz SYJUHBGPAAYFTM-HUUCEWRRSA-N 1 1 281.444 2.548 50 0 CFAAMO CC[C@H](CO)[NH+]1CCN([C@H](CC)c2ccccc2)CC1 ZINC000072304955 176365784 /nfs/dbraw/zinc/36/57/84/176365784.db2.gz UMWPNUHHAFMJTM-IAGOWNOFSA-N 1 1 276.424 2.526 50 0 CFAAMO CC[C@@H](CO)[NH+]1CCN([C@@H](CC)c2ccccc2)CC1 ZINC000072304952 176365979 /nfs/dbraw/zinc/36/59/79/176365979.db2.gz UMWPNUHHAFMJTM-IRXDYDNUSA-N 1 1 276.424 2.526 50 0 CFAAMO CCCCN(C/C=C/c1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC000077458285 177271029 /nfs/dbraw/zinc/27/10/29/177271029.db2.gz KETPQHSSICBLNK-RUJXFNLJSA-N 1 1 288.435 2.526 50 0 CFAAMO CC(C)OCCN1CCC[N@@H+](Cc2cccs2)CC1 ZINC000048060249 420501199 /nfs/dbraw/zinc/50/11/99/420501199.db2.gz DCMHGRPQGYNXCT-UHFFFAOYSA-N 1 1 282.453 2.681 50 0 CFAAMO CC(C)OCC[N@@H+]1CCCN(Cc2cccs2)CC1 ZINC000048060249 420501202 /nfs/dbraw/zinc/50/12/02/420501202.db2.gz DCMHGRPQGYNXCT-UHFFFAOYSA-N 1 1 282.453 2.681 50 0 CFAAMO CC(C)OCC[N@H+]1CCCN(Cc2cccs2)CC1 ZINC000048060249 420501204 /nfs/dbraw/zinc/50/12/04/420501204.db2.gz DCMHGRPQGYNXCT-UHFFFAOYSA-N 1 1 282.453 2.681 50 0 CFAAMO CCC[C@H](O)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000036102879 260153924 /nfs/dbraw/zinc/15/39/24/260153924.db2.gz OYTYZLSRPQUSMO-HNNXBMFYSA-N 1 1 263.381 2.821 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000058390803 274205220 /nfs/dbraw/zinc/20/52/20/274205220.db2.gz SWXQSJBSIVRICS-SUMWQHHRSA-N 1 1 286.419 2.911 50 0 CFAAMO C[C@@H]1C[NH+](CCOCCSc2ccccc2)C[C@@H](C)O1 ZINC000020639240 274349310 /nfs/dbraw/zinc/34/93/10/274349310.db2.gz PUAYDDVQOHDRIZ-HUUCEWRRSA-N 1 1 295.448 2.905 50 0 CFAAMO c1cc2ncnc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2s1 ZINC000106824166 275066251 /nfs/dbraw/zinc/06/62/51/275066251.db2.gz YZXNKGLPNWHMAO-PWSUYJOCSA-N 1 1 274.393 2.730 50 0 CFAAMO Brc1ccccc1[C@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894821 275375459 /nfs/dbraw/zinc/37/54/59/275375459.db2.gz OAKZIGUQGQZGLK-CYBMUJFWSA-N 1 1 281.197 2.558 50 0 CFAAMO CC[N@H+](Cc1ccccn1)[C@@H]1CCc2ccccc2NC1=O ZINC000192068891 276142670 /nfs/dbraw/zinc/14/26/70/276142670.db2.gz XUZPABWQQYWUEL-QGZVFWFLSA-N 1 1 295.386 2.857 50 0 CFAAMO CC[N@@H+](Cc1ccccn1)[C@@H]1CCc2ccccc2NC1=O ZINC000192068891 276142671 /nfs/dbraw/zinc/14/26/71/276142671.db2.gz XUZPABWQQYWUEL-QGZVFWFLSA-N 1 1 295.386 2.857 50 0 CFAAMO CC[NH+]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000016603388 276188733 /nfs/dbraw/zinc/18/87/33/276188733.db2.gz MPSXHUCWQVICKL-UHFFFAOYSA-N 1 1 290.451 2.757 50 0 CFAAMO CN1CC[C@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101424698 277162364 /nfs/dbraw/zinc/16/23/64/277162364.db2.gz IXNHRSPFKLGGAC-ZYHUDNBSSA-N 1 1 258.287 2.657 50 0 CFAAMO CNC1=C[N+](=O)C(c2ccccc2)c2cc(Cl)ccc2N1 ZINC000019632917 277262869 /nfs/dbraw/zinc/26/28/69/277262869.db2.gz ANTSCNMPPGJYLG-UHFFFAOYSA-N 1 1 299.761 2.951 50 0 fda CFAAMO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)CC1(C)C ZINC000000097856 278221519 /nfs/dbraw/zinc/22/15/19/278221519.db2.gz PKHXKOWXJNZTIG-MRXNPFEDSA-N 1 1 261.365 2.807 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000071836813 279241890 /nfs/dbraw/zinc/24/18/90/279241890.db2.gz ZJXQGAXXZOVGMP-BMFZPTHFSA-N 1 1 278.440 2.898 50 0 CFAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)ccc1Cl ZINC000092077014 280344708 /nfs/dbraw/zinc/34/47/08/280344708.db2.gz GDBAYCLVLWMUII-GXTWGEPZSA-N 1 1 292.810 2.815 50 0 CFAAMO O=C1[C@H]([NH2+]Cc2ccco2)CCCN1c1ccccc1 ZINC000114510828 280599055 /nfs/dbraw/zinc/59/90/55/280599055.db2.gz LUVBWXKHRADHLV-OAHLLOKOSA-N 1 1 270.332 2.565 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)[C@@H](C)C2 ZINC000183858843 281094343 /nfs/dbraw/zinc/09/43/43/281094343.db2.gz UNFPNOWCARNBEW-UGSOOPFHSA-N 1 1 296.418 2.946 50 0 CFAAMO Cc1ccccc1[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000071792451 281393262 /nfs/dbraw/zinc/39/32/62/281393262.db2.gz WMIYRBTWSDFWHO-AWEZNQCLSA-N 1 1 255.365 2.718 50 0 CFAAMO CCc1[nH]c([C@@H]2CC(=O)Nc3cc(O)c(C)cc32)c(C)[nH+]1 ZINC000065492665 281496898 /nfs/dbraw/zinc/49/68/98/281496898.db2.gz KGNPFBRGZPJGKT-LLVKDONJSA-N 1 1 285.347 2.769 50 0 CFAAMO C[C@H](C(=O)N(C)CCC(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000110698275 289251248 /nfs/dbraw/zinc/25/12/48/289251248.db2.gz HBDFAKOPWKXXOL-OUAUKWLOSA-N 1 1 280.334 2.659 50 0 CFAAMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065564735 289336691 /nfs/dbraw/zinc/33/66/91/289336691.db2.gz ICTIAHMQDNNUBO-ZJUUUORDSA-N 1 1 280.334 2.564 50 0 CFAAMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065564735 289336692 /nfs/dbraw/zinc/33/66/92/289336692.db2.gz ICTIAHMQDNNUBO-ZJUUUORDSA-N 1 1 280.334 2.564 50 0 CFAAMO CCC[N@H+]1CC[C@@H](CNc2nnc(C)c3ccccc32)C1 ZINC000534592661 328318749 /nfs/dbraw/zinc/31/87/49/328318749.db2.gz UCTHJVXFFYKJQK-AWEZNQCLSA-N 1 1 284.407 2.504 50 0 CFAAMO C[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000193237276 324070000 /nfs/dbraw/zinc/07/00/00/324070000.db2.gz GACGVXJJNMGGLV-MRXNPFEDSA-N 1 1 275.392 2.665 50 0 CFAAMO CCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2C)CC1 ZINC000195553414 324108427 /nfs/dbraw/zinc/10/84/27/324108427.db2.gz XODPLUMKUFRPGU-UHFFFAOYSA-N 1 1 278.371 2.578 50 0 CFAAMO CCC1(CC)C[N@@H+]([C@@H](C)c2nnnn2C2CC2)CCS1 ZINC000361748409 521690766 /nfs/dbraw/zinc/69/07/66/521690766.db2.gz AZPDYUCQJKIFJX-NSHDSACASA-N 1 1 295.456 2.677 50 0 CFAAMO CCC1(CC)C[N@H+]([C@@H](C)c2nnnn2C2CC2)CCS1 ZINC000361748409 521690769 /nfs/dbraw/zinc/69/07/69/521690769.db2.gz AZPDYUCQJKIFJX-NSHDSACASA-N 1 1 295.456 2.677 50 0 CFAAMO COc1ccc([C@@H](C)[NH2+]Cc2[nH]ncc2C)cc1F ZINC000340044264 525156935 /nfs/dbraw/zinc/15/69/35/525156935.db2.gz WUCBCWIIIFIUPU-SNVBAGLBSA-N 1 1 263.316 2.717 50 0 CFAAMO COc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2C)cc1F ZINC000340044264 525156938 /nfs/dbraw/zinc/15/69/38/525156938.db2.gz WUCBCWIIIFIUPU-SNVBAGLBSA-N 1 1 263.316 2.717 50 0 CFAAMO c1cn2c([nH+]1)C[C@@H](c1nc(C3CCCC3)no1)CC2 ZINC000193166530 526539567 /nfs/dbraw/zinc/53/95/67/526539567.db2.gz YGYTXEYOVFREAQ-NSHDSACASA-N 1 1 258.325 2.654 50 0 CFAAMO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000096501992 528129365 /nfs/dbraw/zinc/12/93/65/528129365.db2.gz NAOHLSLOFDOBLS-CJNGLKHVSA-N 1 1 263.381 2.564 50 0 CFAAMO CC(C)c1ccc([C@@H](C)[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000096501992 528129369 /nfs/dbraw/zinc/12/93/69/528129369.db2.gz NAOHLSLOFDOBLS-CJNGLKHVSA-N 1 1 263.381 2.564 50 0 CFAAMO COc1ccc(N2CC[N@H+](CC3CCCC3)CC2=O)cc1 ZINC000082097661 536695922 /nfs/dbraw/zinc/69/59/22/536695922.db2.gz SQTUACQLNPMUET-UHFFFAOYSA-N 1 1 288.391 2.534 50 0 CFAAMO COc1ccc(N2CC[N@@H+](CC3CCCC3)CC2=O)cc1 ZINC000082097661 536695927 /nfs/dbraw/zinc/69/59/27/536695927.db2.gz SQTUACQLNPMUET-UHFFFAOYSA-N 1 1 288.391 2.534 50 0 CFAAMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1cnccc1Cl)CC2 ZINC000670452508 570400461 /nfs/dbraw/zinc/40/04/61/570400461.db2.gz YNXRZCFSEONFFO-ZFWWWQNUSA-N 1 1 280.799 2.862 50 0 CFAAMO CCCC[C@@H]([NH2+]Cc1nccn1C)c1cccnc1 ZINC000952965649 614478629 /nfs/dbraw/zinc/47/86/29/614478629.db2.gz SPEMWYGVEWYMDH-CQSZACIVSA-N 1 1 258.369 2.836 50 0 CFAAMO CCc1cc(N2CC3(CC[N@@H+]3Cc3ccccc3)C2)ncn1 ZINC000952964106 615651681 /nfs/dbraw/zinc/65/16/81/615651681.db2.gz PCOCHDOURCXMAP-UHFFFAOYSA-N 1 1 294.402 2.504 50 0 CFAAMO CCc1cc(N2CC3(CC[N@H+]3Cc3ccccc3)C2)ncn1 ZINC000952964106 615651682 /nfs/dbraw/zinc/65/16/82/615651682.db2.gz PCOCHDOURCXMAP-UHFFFAOYSA-N 1 1 294.402 2.504 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000049400099 617603287 /nfs/dbraw/zinc/60/32/87/617603287.db2.gz DTAYOBWVZVKGIX-UHFFFAOYSA-N 1 1 283.803 2.685 50 0 CFAAMO Cc1nc[nH]c1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023325 617939936 /nfs/dbraw/zinc/93/99/36/617939936.db2.gz FQXVIHXBLKDMOZ-OAHLLOKOSA-N 1 1 256.353 2.840 50 0 CFAAMO Cc1nc[nH]c1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023325 617939938 /nfs/dbraw/zinc/93/99/38/617939938.db2.gz FQXVIHXBLKDMOZ-OAHLLOKOSA-N 1 1 256.353 2.840 50 0 CFAAMO Cc1ccc(C)c(N2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000023282864 618368228 /nfs/dbraw/zinc/36/82/28/618368228.db2.gz CMGQOEMGDYKWBL-UHFFFAOYSA-N 1 1 287.451 2.520 50 0 CFAAMO CC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2C)cs1 ZINC000019789587 618793073 /nfs/dbraw/zinc/79/30/73/618793073.db2.gz ADVHVSBIUUCWIU-ZDUSSCGKSA-N 1 1 294.420 2.507 50 0 CFAAMO CCc1noc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(C)cn2)n1 ZINC000020209019 618801243 /nfs/dbraw/zinc/80/12/43/618801243.db2.gz QKDKHIIQWPMDNY-NWDGAFQWSA-N 1 1 274.368 2.617 50 0 CFAAMO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000004021716 618886501 /nfs/dbraw/zinc/88/65/01/618886501.db2.gz HOQCKIUZQZMDSN-KBPBESRZSA-N 1 1 252.402 2.566 50 0 CFAAMO O=C1O[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2N1C1CCCC1 ZINC000055371116 622944312 /nfs/dbraw/zinc/94/43/12/622944312.db2.gz ZCIUZEKUUOXDGO-JKSUJKDBSA-N 1 1 286.375 2.634 50 0 CFAAMO O=C1O[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2N1C1CCCC1 ZINC000055371116 622944316 /nfs/dbraw/zinc/94/43/16/622944316.db2.gz ZCIUZEKUUOXDGO-JKSUJKDBSA-N 1 1 286.375 2.634 50 0 CFAAMO C/C=C(\C)C[N@@H+]1CCC(=O)N(Cc2ccccc2C)CC1 ZINC000011967264 626223773 /nfs/dbraw/zinc/22/37/73/626223773.db2.gz IKIJKAQCMKGCNS-SYZQJQIISA-N 1 1 286.419 2.996 50 0 CFAAMO CSCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011844463 626240997 /nfs/dbraw/zinc/24/09/97/626240997.db2.gz IFINZUWZEGHWHL-CQSZACIVSA-N 1 1 284.469 2.510 50 0 CFAAMO Cc1c2cc(C)ccc2oc1C[N@@H+]1C[C@@H](O)[C@H](F)C1 ZINC000952984459 650791629 /nfs/dbraw/zinc/79/16/29/650791629.db2.gz WAAUVWKKSNANNJ-CHWSQXEVSA-N 1 1 263.312 2.564 50 0 CFAAMO Cc1c2cc(C)ccc2oc1C[N@H+]1C[C@@H](O)[C@H](F)C1 ZINC000952984459 650791635 /nfs/dbraw/zinc/79/16/35/650791635.db2.gz WAAUVWKKSNANNJ-CHWSQXEVSA-N 1 1 263.312 2.564 50 0 CFAAMO Cn1nccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342142 650938416 /nfs/dbraw/zinc/93/84/16/650938416.db2.gz GSNSKEVCQCDFHQ-UHFFFAOYSA-N 1 1 299.418 2.849 50 0 CFAAMO CCCOc1ccccc1C[N@H+]1CC[C@H](COC)C1 ZINC000216029463 645987450 /nfs/dbraw/zinc/98/74/50/645987450.db2.gz AUBPPGSEGNCQEL-AWEZNQCLSA-N 1 1 263.381 2.944 50 0 CFAAMO COc1ccccc1/C=C\C[N@@H+]1CCCC2(C1)OCCO2 ZINC000221828061 647221809 /nfs/dbraw/zinc/22/18/09/647221809.db2.gz RIXOHTXCLXQIDQ-DAXSKMNVSA-N 1 1 289.375 2.547 50 0 CFAAMO COc1ccccc1/C=C\C[N@H+]1CCCC2(C1)OCCO2 ZINC000221828061 647221811 /nfs/dbraw/zinc/22/18/11/647221811.db2.gz RIXOHTXCLXQIDQ-DAXSKMNVSA-N 1 1 289.375 2.547 50 0 CFAAMO CCc1cc(C)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000134991337 647890063 /nfs/dbraw/zinc/89/00/63/647890063.db2.gz RZYHAUZJYWCPIY-ZDUSSCGKSA-N 1 1 278.396 2.755 50 0 CFAAMO CCN1CC[C@@H]([N@@H+](CC)Cc2ccccc2)CCC1=O ZINC000014988437 651184643 /nfs/dbraw/zinc/18/46/43/651184643.db2.gz ACJWSPTXFJWKSZ-INIZCTEOSA-N 1 1 274.408 2.910 50 0 CFAAMO C[C@H](CCc1c[nH]c2ccccc12)[N@@H+]1CCC(=O)N(C)CC1 ZINC000015003081 651184677 /nfs/dbraw/zinc/18/46/77/651184677.db2.gz ZYEJALDSCQPJDU-CQSZACIVSA-N 1 1 299.418 2.653 50 0 CFAAMO CCCC[NH+](CCCCO)CC[C@H]1CCCC[N@H+]1C ZINC000019809918 651294486 /nfs/dbraw/zinc/29/44/86/651294486.db2.gz LCIVSDZDSMVYTE-MRXNPFEDSA-N 1 1 270.461 2.735 50 0 CFAAMO CCCC[N@H+](CCCCO)CC[C@H]1CCCCN1C ZINC000019809918 651294488 /nfs/dbraw/zinc/29/44/88/651294488.db2.gz LCIVSDZDSMVYTE-MRXNPFEDSA-N 1 1 270.461 2.735 50 0 CFAAMO CCCC[N@@H+](CCCCO)CC[C@H]1CCCCN1C ZINC000019809918 651294490 /nfs/dbraw/zinc/29/44/90/651294490.db2.gz LCIVSDZDSMVYTE-MRXNPFEDSA-N 1 1 270.461 2.735 50 0 CFAAMO CCC(CC)C[N@H+]1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000019839709 651294809 /nfs/dbraw/zinc/29/48/09/651294809.db2.gz KIGMJIYOBWCDRE-KRWDZBQOSA-N 1 1 282.472 2.734 50 0 CFAAMO CCC(CC)CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000019839709 651294811 /nfs/dbraw/zinc/29/48/11/651294811.db2.gz KIGMJIYOBWCDRE-KRWDZBQOSA-N 1 1 282.472 2.734 50 0 CFAAMO CCC(CC)CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000019839709 651294813 /nfs/dbraw/zinc/29/48/13/651294813.db2.gz KIGMJIYOBWCDRE-KRWDZBQOSA-N 1 1 282.472 2.734 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCC(=O)N(C)Cc2cccs2)C1 ZINC000020453997 651298922 /nfs/dbraw/zinc/29/89/22/651298922.db2.gz MXSMJLHEALYMKE-ZDUSSCGKSA-N 1 1 280.437 2.829 50 0 CFAAMO Cc1ccc(-c2cc(C[N@@H+]3CCc4n[nH]cc4C3)[nH]n2)s1 ZINC000020911663 651301749 /nfs/dbraw/zinc/30/17/49/651301749.db2.gz HXXLDVLUNGFWJD-UHFFFAOYSA-N 1 1 299.403 2.728 50 0 CFAAMO Cc1ccc(-c2cc(C[N@H+]3CCc4n[nH]cc4C3)[nH]n2)s1 ZINC000020911663 651301753 /nfs/dbraw/zinc/30/17/53/651301753.db2.gz HXXLDVLUNGFWJD-UHFFFAOYSA-N 1 1 299.403 2.728 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)C2CCCC2)n1C1CCC1 ZINC000581815472 775898804 /nfs/dbraw/zinc/89/88/04/775898804.db2.gz JWCNXRIVQPNXPV-UHFFFAOYSA-N 1 1 275.396 2.765 50 0 CFAAMO Cc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCOC3)c(C)o2)o1 ZINC000012386264 780586051 /nfs/dbraw/zinc/58/60/51/780586051.db2.gz QLNDGZVDKHGSRU-GFCCVEGCSA-N 1 1 276.336 2.772 50 0 CFAAMO Cc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCOC3)c(C)o2)o1 ZINC000012386264 780586057 /nfs/dbraw/zinc/58/60/57/780586057.db2.gz QLNDGZVDKHGSRU-GFCCVEGCSA-N 1 1 276.336 2.772 50 0 CFAAMO CCS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000096445763 230374580 /nfs/dbraw/zinc/37/45/80/230374580.db2.gz CQWJGGKLELRFRO-IUODEOHRSA-N 1 1 299.411 2.643 50 0 CFAAMO CCS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000096445763 230374581 /nfs/dbraw/zinc/37/45/81/230374581.db2.gz CQWJGGKLELRFRO-IUODEOHRSA-N 1 1 299.411 2.643 50 0 CFAAMO Cc1ccccc1[C@@H](C(=O)NCCSC(C)C)[NH+](C)C ZINC000095519203 185002243 /nfs/dbraw/zinc/00/22/43/185002243.db2.gz HXXKFUBGGFPLMC-HNNXBMFYSA-N 1 1 294.464 2.856 50 0 CFAAMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccoc1C ZINC000095943903 185037259 /nfs/dbraw/zinc/03/72/59/185037259.db2.gz HKEPPBFXTHXEFR-CYBMUJFWSA-N 1 1 251.326 2.506 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccoc1C ZINC000095943903 185037260 /nfs/dbraw/zinc/03/72/60/185037260.db2.gz HKEPPBFXTHXEFR-CYBMUJFWSA-N 1 1 251.326 2.506 50 0 CFAAMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000095954953 185041957 /nfs/dbraw/zinc/04/19/57/185041957.db2.gz VCFQIMABXAFCDN-HNNXBMFYSA-N 1 1 276.355 2.583 50 0 CFAAMO CN(C(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000095954953 185041958 /nfs/dbraw/zinc/04/19/58/185041958.db2.gz VCFQIMABXAFCDN-HNNXBMFYSA-N 1 1 276.355 2.583 50 0 CFAAMO C[C@H](O)C[N@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000095961382 185044016 /nfs/dbraw/zinc/04/40/16/185044016.db2.gz SYPHYCDXRPQKAB-JTQLQIEISA-N 1 1 280.368 2.762 50 0 CFAAMO C[C@H](O)C[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000095961382 185044018 /nfs/dbraw/zinc/04/40/18/185044018.db2.gz SYPHYCDXRPQKAB-JTQLQIEISA-N 1 1 280.368 2.762 50 0 CFAAMO COCC[C@H]([NH2+]C1CCN(C(C)C)CC1)C(C)C ZINC000095969329 185047549 /nfs/dbraw/zinc/04/75/49/185047549.db2.gz UPMMTFKTLXJFJF-HNNXBMFYSA-N 1 1 256.434 2.510 50 0 CFAAMO CC[NH+](CC)C[C@H](C)NCc1ccc2c(c1)nc(C)n2C ZINC000823074732 781919012 /nfs/dbraw/zinc/91/90/12/781919012.db2.gz IPZDYAOFNSHGNK-ZDUSSCGKSA-N 1 1 288.439 2.702 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000095982578 185054291 /nfs/dbraw/zinc/05/42/91/185054291.db2.gz COQNRXLDRBOVKO-WKOYGUFESA-N 1 1 272.392 2.690 50 0 CFAAMO CC(C)c1nn(C)cc1C[N@@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000095987310 185056030 /nfs/dbraw/zinc/05/60/30/185056030.db2.gz YUGWOWQRQMPQTR-WMZOPIPTSA-N 1 1 299.418 2.634 50 0 CFAAMO COc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000095995869 185060098 /nfs/dbraw/zinc/06/00/98/185060098.db2.gz XKXAMJQQLGEQRL-MRXNPFEDSA-N 1 1 279.380 2.561 50 0 CFAAMO COc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000095995869 185060099 /nfs/dbraw/zinc/06/00/99/185060099.db2.gz XKXAMJQQLGEQRL-MRXNPFEDSA-N 1 1 279.380 2.561 50 0 CFAAMO CCn1cnnc1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000097033292 185156012 /nfs/dbraw/zinc/15/60/12/185156012.db2.gz ZFRMXIGXWSZNRE-AWEZNQCLSA-N 1 1 274.343 2.604 50 0 CFAAMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@@](C)(CO)C2)cc1 ZINC000097033942 185156565 /nfs/dbraw/zinc/15/65/65/185156565.db2.gz UOCHPJGVVNYLQU-WMLDXEAASA-N 1 1 277.408 2.893 50 0 CFAAMO Cc1ccccc1C[NH+]1CCN(Cc2cncs2)CC1 ZINC000097032550 185156574 /nfs/dbraw/zinc/15/65/74/185156574.db2.gz YKPJLESEIGOGHH-UHFFFAOYSA-N 1 1 287.432 2.769 50 0 CFAAMO O=c1cc(C[N@H+]2C[C@H]3CCCCC[C@@H]32)nc2sccn21 ZINC000075109045 347055804 /nfs/dbraw/zinc/05/58/04/347055804.db2.gz WANMWISPJBPVNA-YPMHNXCESA-N 1 1 289.404 2.521 50 0 CFAAMO CCCOc1ccc(C[NH+](C)C)cc1CN(C)C ZINC000015746312 346236849 /nfs/dbraw/zinc/23/68/49/346236849.db2.gz HEWVYQOFPCPYCG-UHFFFAOYSA-N 1 1 250.386 2.599 50 0 CFAAMO CC[NH+]1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000019637649 346242458 /nfs/dbraw/zinc/24/24/58/346242458.db2.gz JFYUXPZOHQKXGW-HNNXBMFYSA-N 1 1 276.424 2.654 50 0 CFAAMO Cc1ccccc1O[C@@H](C)CC[C@H](C)[N@@H+](C)CCO ZINC000022064892 346247608 /nfs/dbraw/zinc/24/76/08/346247608.db2.gz CCWAVEMRPJAESV-GJZGRUSLSA-N 1 1 265.397 2.855 50 0 CFAAMO CS[C@H]1CCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000076147678 347125224 /nfs/dbraw/zinc/12/52/24/347125224.db2.gz AVULZBVBSGDUSY-KGLIPLIRSA-N 1 1 250.411 2.840 50 0 CFAAMO Cc1cnc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000078947937 347280954 /nfs/dbraw/zinc/28/09/54/347280954.db2.gz BFPYAWIHXQWPTL-ROUUACIJSA-N 1 1 297.402 2.873 50 0 CFAAMO COC(=O)C1([N@H+](C)Cc2cccc(F)c2)CCCC1 ZINC000083864139 347454598 /nfs/dbraw/zinc/45/45/98/347454598.db2.gz YYUOHBJUYABXLX-UHFFFAOYSA-N 1 1 265.328 2.743 50 0 CFAAMO COC(=O)C1([N@@H+](C)Cc2cccc(F)c2)CCCC1 ZINC000083864139 347454602 /nfs/dbraw/zinc/45/46/02/347454602.db2.gz YYUOHBJUYABXLX-UHFFFAOYSA-N 1 1 265.328 2.743 50 0 CFAAMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000097235477 347707765 /nfs/dbraw/zinc/70/77/65/347707765.db2.gz UGPIGCIOZUWLTP-CQSZACIVSA-N 1 1 291.391 2.803 50 0 CFAAMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1cccs1 ZINC000170087658 348053326 /nfs/dbraw/zinc/05/33/26/348053326.db2.gz YNBWQYZNPYOSMS-BZPMIXESSA-N 1 1 253.411 2.772 50 0 CFAAMO Cc1nc(N(C)C)sc1C[N@H+](C)Cc1ccncc1 ZINC000170594879 348054913 /nfs/dbraw/zinc/05/49/13/348054913.db2.gz ZIXCQEJKVLPZFI-UHFFFAOYSA-N 1 1 276.409 2.545 50 0 CFAAMO Cc1nc(N(C)C)sc1C[N@@H+](C)Cc1ccncc1 ZINC000170594879 348054915 /nfs/dbraw/zinc/05/49/15/348054915.db2.gz ZIXCQEJKVLPZFI-UHFFFAOYSA-N 1 1 276.409 2.545 50 0 CFAAMO COc1ccc([C@H](C)C[N@@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000195550300 348146134 /nfs/dbraw/zinc/14/61/34/348146134.db2.gz IZCODVSQWNHFED-ZUOKHONESA-N 1 1 295.448 2.642 50 0 CFAAMO COc1ccc([C@H](C)C[N@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000195550300 348146136 /nfs/dbraw/zinc/14/61/36/348146136.db2.gz IZCODVSQWNHFED-ZUOKHONESA-N 1 1 295.448 2.642 50 0 CFAAMO COC(C[N@H+]1Cc2ccccc2SC[C@@H]1C)OC ZINC000225453392 348177535 /nfs/dbraw/zinc/17/75/35/348177535.db2.gz VFWULGGXMHRALW-NSHDSACASA-N 1 1 267.394 2.602 50 0 CFAAMO Clc1ccccc1OCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245281183 348251563 /nfs/dbraw/zinc/25/15/63/348251563.db2.gz ABTYTCCTLAHUKK-KBPBESRZSA-N 1 1 294.826 2.935 50 0 CFAAMO Clc1ccccc1OCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245281183 348251567 /nfs/dbraw/zinc/25/15/67/348251567.db2.gz ABTYTCCTLAHUKK-KBPBESRZSA-N 1 1 294.826 2.935 50 0 CFAAMO c1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)co1 ZINC000584884168 348726548 /nfs/dbraw/zinc/72/65/48/348726548.db2.gz RYCLLAQQLYIZNG-AWEZNQCLSA-N 1 1 282.347 2.702 50 0 CFAAMO Cc1cc(CN[C@H](C)C[NH+]2CCCCC2)cnc1C ZINC000584888303 348728377 /nfs/dbraw/zinc/72/83/77/348728377.db2.gz USTSLTXPUBRTOW-CQSZACIVSA-N 1 1 261.413 2.662 50 0 CFAAMO C[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1cnccn1 ZINC000090912086 180063142 /nfs/dbraw/zinc/06/31/42/180063142.db2.gz SIXMXGCMTDBTET-LBPRGKRZSA-N 1 1 284.363 2.654 50 0 CFAAMO COCCC[C@]1(CO)CCC[N@@H+](CCc2ccccc2)C1 ZINC000091255582 180114715 /nfs/dbraw/zinc/11/47/15/180114715.db2.gz IWJNSUGYSXTJAH-GOSISDBHSA-N 1 1 291.435 2.730 50 0 CFAAMO NC(=O)c1cccc(C[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000091468679 180164732 /nfs/dbraw/zinc/16/47/32/180164732.db2.gz JNNLFCVGPWPRNJ-CQSZACIVSA-N 1 1 272.392 2.593 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCNc1ncnc2cccc(F)c21 ZINC000091616807 180208462 /nfs/dbraw/zinc/20/84/62/180208462.db2.gz LTVCPQFLCRTUAV-LLVKDONJSA-N 1 1 274.343 2.665 50 0 CFAAMO OCc1cccc(C[C@H]2CC[N@@H+](Cc3cccnc3)C2)c1 ZINC000091665764 180222525 /nfs/dbraw/zinc/22/25/25/180222525.db2.gz LOPIGOYPJRIOKD-MRXNPFEDSA-N 1 1 282.387 2.639 50 0 CFAAMO CCC[C@@]1(CO)CCC[N@H+](Cc2cscn2)C1 ZINC000091756805 180247838 /nfs/dbraw/zinc/24/78/38/180247838.db2.gz YMTFUPQIHBBMDA-CYBMUJFWSA-N 1 1 254.399 2.518 50 0 CFAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cscn2)C1 ZINC000091756805 180247839 /nfs/dbraw/zinc/24/78/39/180247839.db2.gz YMTFUPQIHBBMDA-CYBMUJFWSA-N 1 1 254.399 2.518 50 0 CFAAMO CC(C)=CC[C@]1(CO)CCC[N@@H+](CC2CCOCC2)C1 ZINC000091934483 180288975 /nfs/dbraw/zinc/28/89/75/180288975.db2.gz KCZAVUNIKCHBGW-QGZVFWFLSA-N 1 1 281.440 2.844 50 0 CFAAMO CCc1nnc(NCc2ccccc2-n2cc[nH+]c2C)o1 ZINC000092097173 180323510 /nfs/dbraw/zinc/32/35/10/180323510.db2.gz HURFMQGNVAGARM-UHFFFAOYSA-N 1 1 283.335 2.738 50 0 CFAAMO CC(C)=CCC[N@H+]1CCN(Cc2ccccc2)C[C@@H](O)C1 ZINC000108273800 186209975 /nfs/dbraw/zinc/20/99/75/186209975.db2.gz OVJHNMGTJVVPJH-SFHVURJKSA-N 1 1 288.435 2.521 50 0 CFAAMO CC(C)=CCCN1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000108273800 186209979 /nfs/dbraw/zinc/20/99/79/186209979.db2.gz OVJHNMGTJVVPJH-SFHVURJKSA-N 1 1 288.435 2.521 50 0 CFAAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000110642518 186308375 /nfs/dbraw/zinc/30/83/75/186308375.db2.gz XKCGMGUBELMIQY-NWDGAFQWSA-N 1 1 297.424 2.528 50 0 CFAAMO COc1ccccc1C[C@H](C)[N@H+](C)Cc1nnc(C)s1 ZINC000271413280 191123638 /nfs/dbraw/zinc/12/36/38/191123638.db2.gz KMYUAOKYVBNYIX-NSHDSACASA-N 1 1 291.420 2.918 50 0 CFAAMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1nnc(C)s1 ZINC000271413280 191123640 /nfs/dbraw/zinc/12/36/40/191123640.db2.gz KMYUAOKYVBNYIX-NSHDSACASA-N 1 1 291.420 2.918 50 0 CFAAMO Cc1nc(C)c(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000628339061 354552028 /nfs/dbraw/zinc/55/20/28/354552028.db2.gz DIXMXTIYHSVHKT-CQSZACIVSA-N 1 1 277.412 2.788 50 0 CFAAMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)c1cnccn1)CC2 ZINC000239653707 540042176 /nfs/dbraw/zinc/04/21/76/540042176.db2.gz BKVLCADQPZRCMQ-ZDUSSCGKSA-N 1 1 295.386 2.841 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCc2ccccc21 ZINC000823557119 781934057 /nfs/dbraw/zinc/93/40/57/781934057.db2.gz CNNIUCMYPNLWAR-OAHLLOKOSA-N 1 1 283.375 2.639 50 0 CFAAMO Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000248124866 540258842 /nfs/dbraw/zinc/25/88/42/540258842.db2.gz ZUAHEXVYJBMJTO-FJIDUMEYSA-N 1 1 298.430 2.842 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1F)[NH+]1CCCCC1 ZINC000007377591 540388969 /nfs/dbraw/zinc/38/89/69/540388969.db2.gz UMXUPQSVXBKPBC-NSHDSACASA-N 1 1 250.317 2.639 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)[nH]n1 ZINC000084111140 540681387 /nfs/dbraw/zinc/68/13/87/540681387.db2.gz YQCOPOYYKQTIQW-AWEZNQCLSA-N 1 1 277.412 2.593 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](CC3(O)CCCCC3)C2)n[nH]1 ZINC000084111140 540681392 /nfs/dbraw/zinc/68/13/92/540681392.db2.gz YQCOPOYYKQTIQW-AWEZNQCLSA-N 1 1 277.412 2.593 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)n[nH]1 ZINC000084111140 540681396 /nfs/dbraw/zinc/68/13/96/540681396.db2.gz YQCOPOYYKQTIQW-AWEZNQCLSA-N 1 1 277.412 2.593 50 0 CFAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cncn1C ZINC000177044183 189023781 /nfs/dbraw/zinc/02/37/81/189023781.db2.gz YSWYUFQZHFGOLZ-OAHLLOKOSA-N 1 1 271.364 2.766 50 0 CFAAMO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000095458189 540724896 /nfs/dbraw/zinc/72/48/96/540724896.db2.gz IEHKRAHSSHKJHF-RYUDHWBXSA-N 1 1 260.341 2.647 50 0 CFAAMO Cc1c2cccc(F)c2oc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089568309 540718881 /nfs/dbraw/zinc/71/88/81/540718881.db2.gz IIKWGHCNSYWHIW-SNVBAGLBSA-N 1 1 290.338 2.656 50 0 CFAAMO Cc1c2cccc(F)c2oc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089568309 540718884 /nfs/dbraw/zinc/71/88/84/540718884.db2.gz IIKWGHCNSYWHIW-SNVBAGLBSA-N 1 1 290.338 2.656 50 0 CFAAMO C[N@H+](Cc1ccco1)C[C@H](O)c1ccc2cc[nH]c2c1 ZINC000013366776 540939451 /nfs/dbraw/zinc/93/94/51/540939451.db2.gz QGAKFFDQLLINBD-INIZCTEOSA-N 1 1 270.332 2.926 50 0 CFAAMO CCCCc1nc(CN(C)C[C@H]2CC[N@@H+](CC)C2)c[nH]1 ZINC000670438675 540995382 /nfs/dbraw/zinc/99/53/82/540995382.db2.gz FWNTZYPFXJHVTH-CQSZACIVSA-N 1 1 278.444 2.526 50 0 CFAAMO Clc1ccc([C@H]2CCC[N@@H+](CCn3cnnc3)C2)cc1 ZINC000670440840 540995768 /nfs/dbraw/zinc/99/57/68/540995768.db2.gz HUNIENPASMRLKW-AWEZNQCLSA-N 1 1 290.798 2.811 50 0 CFAAMO c1ccc(O[C@@H]2CC[N@H+](C3CSCCSC3)C2)cc1 ZINC000670448385 540997726 /nfs/dbraw/zinc/99/77/26/540997726.db2.gz MCXKKIUBOWKSOQ-OAHLLOKOSA-N 1 1 295.473 2.988 50 0 CFAAMO CN1C(=O)[C@@H]2CCC[C@H]1C[N@H+](C/C=C/c1ccccc1)C2 ZINC000670456392 541001662 /nfs/dbraw/zinc/00/16/62/541001662.db2.gz IJCLOZIJZJQPMC-BRBWODKKSA-N 1 1 284.403 2.643 50 0 CFAAMO CC(C)C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000670463539 541005397 /nfs/dbraw/zinc/00/53/97/541005397.db2.gz LDNVFNFNBRSERR-OAHLLOKOSA-N 1 1 273.380 2.810 50 0 CFAAMO CC(C)C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000670463539 541005400 /nfs/dbraw/zinc/00/54/00/541005400.db2.gz LDNVFNFNBRSERR-OAHLLOKOSA-N 1 1 273.380 2.810 50 0 CFAAMO CC[C@@H](C)Cc1nc(CN2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000670465099 541005867 /nfs/dbraw/zinc/00/58/67/541005867.db2.gz JMSSKMDTFRYAAY-CQSZACIVSA-N 1 1 299.422 2.847 50 0 CFAAMO CC(C)Oc1ccccc1OCC[N@@H+](C)C[C@H]1CCOC1 ZINC000670465639 541006309 /nfs/dbraw/zinc/00/63/09/541006309.db2.gz GDEFRVRVXDDVFD-OAHLLOKOSA-N 1 1 293.407 2.821 50 0 CFAAMO Cn1ccnc1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000670470885 541009725 /nfs/dbraw/zinc/00/97/25/541009725.db2.gz LCHTYHDDLCTSQZ-INIZCTEOSA-N 1 1 269.392 2.842 50 0 CFAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2ccc(CC(C)C)s2)C1 ZINC000670472800 541011299 /nfs/dbraw/zinc/01/12/99/541011299.db2.gz KPHDTTONCJWXSC-CYBMUJFWSA-N 1 1 294.464 2.905 50 0 CFAAMO Cc1[nH]nc2c1C[N@@H+](C[C@@H](C)c1ccccc1)CC2 ZINC000670473132 541011324 /nfs/dbraw/zinc/01/13/24/541011324.db2.gz ZSOFTGYADQOLFN-GFCCVEGCSA-N 1 1 255.365 2.880 50 0 CFAAMO Cc1n[nH]c2c1C[N@H+](C[C@@H](C)c1ccccc1)CC2 ZINC000670473132 541011325 /nfs/dbraw/zinc/01/13/25/541011325.db2.gz ZSOFTGYADQOLFN-GFCCVEGCSA-N 1 1 255.365 2.880 50 0 CFAAMO Cc1n[nH]c2c1C[N@@H+](C[C@@H](C)c1ccccc1)CC2 ZINC000670473132 541011326 /nfs/dbraw/zinc/01/13/26/541011326.db2.gz ZSOFTGYADQOLFN-GFCCVEGCSA-N 1 1 255.365 2.880 50 0 CFAAMO C[C@@](O)(CNc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000301881147 201245593 /nfs/dbraw/zinc/24/55/93/201245593.db2.gz LYCZNWFGYUKSOO-CQSZACIVSA-N 1 1 273.361 2.944 50 0 CFAAMO CSc1ccc(CN(C)c2cc[nH+]c(N(C)C)n2)cc1 ZINC000077485813 541357450 /nfs/dbraw/zinc/35/74/50/541357450.db2.gz LFPRKSJKSVIELB-UHFFFAOYSA-N 1 1 288.420 2.901 50 0 CFAAMO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1ccsc1)C1CC1 ZINC000275707799 193109961 /nfs/dbraw/zinc/10/99/61/193109961.db2.gz NPVOWMHCYCAFQM-OAHLLOKOSA-N 1 1 278.421 2.723 50 0 CFAAMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000331812967 204191164 /nfs/dbraw/zinc/19/11/64/204191164.db2.gz LPFMMVDEJLTEOQ-STQMWFEESA-N 1 1 289.383 2.535 50 0 CFAAMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000331812967 204191166 /nfs/dbraw/zinc/19/11/66/204191166.db2.gz LPFMMVDEJLTEOQ-STQMWFEESA-N 1 1 289.383 2.535 50 0 CFAAMO CC[N@H+]1CCC[C@H](NC(=O)c2scc3c2CCCC3)C1 ZINC000000104179 371531227 /nfs/dbraw/zinc/53/12/27/371531227.db2.gz RHIXRBZSWUWWFN-ZDUSSCGKSA-N 1 1 292.448 2.841 50 0 CFAAMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000000176607 371549762 /nfs/dbraw/zinc/54/97/62/371549762.db2.gz IIJYNMNZMFTBEF-CYBMUJFWSA-N 1 1 276.380 2.756 50 0 CFAAMO OC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000000209267 371559432 /nfs/dbraw/zinc/55/94/32/371559432.db2.gz MVBGCIHWOWIGHX-CYBMUJFWSA-N 1 1 284.197 2.796 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000000209267 371559438 /nfs/dbraw/zinc/55/94/38/371559438.db2.gz MVBGCIHWOWIGHX-CYBMUJFWSA-N 1 1 284.197 2.796 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000000214652 371560373 /nfs/dbraw/zinc/56/03/73/371560373.db2.gz XMXWETGJKZQOQK-JTQLQIEISA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000000214652 371560382 /nfs/dbraw/zinc/56/03/82/371560382.db2.gz XMXWETGJKZQOQK-JTQLQIEISA-N 1 1 288.160 2.545 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000000214356 371561392 /nfs/dbraw/zinc/56/13/92/371561392.db2.gz YNWLYCAZWWTDFY-QGZVFWFLSA-N 1 1 288.435 2.810 50 0 CFAAMO C[NH+]1CCC(NCc2ccccc2C(F)(F)F)CC1 ZINC000000214216 371561427 /nfs/dbraw/zinc/56/14/27/371561427.db2.gz RMFVSFFLSPJYGK-UHFFFAOYSA-N 1 1 272.314 2.889 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000236653 371563900 /nfs/dbraw/zinc/56/39/00/371563900.db2.gz MJPGKZMPXLQIKM-LBPRGKRZSA-N 1 1 259.271 2.662 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000236653 371563904 /nfs/dbraw/zinc/56/39/04/371563904.db2.gz MJPGKZMPXLQIKM-LBPRGKRZSA-N 1 1 259.271 2.662 50 0 CFAAMO CCOC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000000239176 371564810 /nfs/dbraw/zinc/56/48/10/371564810.db2.gz KGTXKPGNEMBPGB-UHFFFAOYSA-N 1 1 283.318 2.740 50 0 CFAAMO CN1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000000279568 371576686 /nfs/dbraw/zinc/57/66/86/371576686.db2.gz XLUPAIBNARAKKD-UHFFFAOYSA-N 1 1 293.842 2.556 50 0 CFAAMO c1ccc2[nH+]c(NCc3ccc4c(c3)OCO4)[nH]c2c1 ZINC000000305238 371582544 /nfs/dbraw/zinc/58/25/44/371582544.db2.gz QXKFXLLCKVUQPZ-UHFFFAOYSA-N 1 1 267.288 2.904 50 0 CFAAMO O=C(C[NH+]1CCCC1)Nc1c2c(cc3c1CCC3)CCC2 ZINC000000347598 371591049 /nfs/dbraw/zinc/59/10/49/371591049.db2.gz ROUBYMJQFAHQPZ-UHFFFAOYSA-N 1 1 284.403 2.698 50 0 CFAAMO CC(C)(C)C(=O)CN1c2ccccc2N2CCC[NH+]=C12 ZINC000001255427 371665225 /nfs/dbraw/zinc/66/52/25/371665225.db2.gz CQVPOLONZNPXLT-UHFFFAOYSA-N 1 1 271.364 2.688 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000002451816 371727834 /nfs/dbraw/zinc/72/78/34/371727834.db2.gz LVNFKWOEAAOEKJ-HZPDHXFCSA-N 1 1 277.408 2.918 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1OC ZINC000003237451 371783707 /nfs/dbraw/zinc/78/37/07/371783707.db2.gz BLQWAJWTBXEGIZ-CYBMUJFWSA-N 1 1 276.380 2.898 50 0 CFAAMO Nc1ccc2[nH]c(C=Cc3cccc(N)c3)[nH+]c2c1 ZINC000003833595 371817764 /nfs/dbraw/zinc/81/77/64/371817764.db2.gz HZWLXRMTHYWEJL-QPJJXVBHSA-N 1 1 250.305 2.898 50 0 CFAAMO Cc1c(C)n(-c2cccc(C)c2)c2nc[nH+]c(N)c12 ZINC000003888802 371821982 /nfs/dbraw/zinc/82/19/82/371821982.db2.gz PDGMDLPWPGHAPU-UHFFFAOYSA-N 1 1 252.321 2.928 50 0 CFAAMO COc1ccccc1C(=O)O[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000003901936 371823958 /nfs/dbraw/zinc/82/39/58/371823958.db2.gz KTZCSPSWFXRDPE-LALPHHSUSA-N 1 1 277.364 2.581 50 0 CFAAMO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000004305008 371849494 /nfs/dbraw/zinc/84/94/94/371849494.db2.gz VDGUYYDRKTUPQS-BBRMVZONSA-N 1 1 277.408 2.775 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)c2cccc(Br)c2)C1 ZINC000004550379 371864549 /nfs/dbraw/zinc/86/45/49/371864549.db2.gz XIHJEHHSUCQSNW-LBPRGKRZSA-N 1 1 298.180 2.700 50 0 CFAAMO Cc1ccccc1NC(=O)OC[C@H]1CCC[N@H+](C)C1 ZINC000004566644 371864674 /nfs/dbraw/zinc/86/46/74/371864674.db2.gz MKOBWIXMVSJNJZ-ZDUSSCGKSA-N 1 1 262.353 2.885 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000004612297 371867319 /nfs/dbraw/zinc/86/73/19/371867319.db2.gz CYROGSYQLSPWNR-VGZDNEPHSA-N 1 1 273.376 2.975 50 0 CFAAMO CSCC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012387228 371959358 /nfs/dbraw/zinc/95/93/58/371959358.db2.gz IVDMQOPPHOTIDM-ZDUSSCGKSA-N 1 1 284.469 2.653 50 0 CFAAMO COc1cccc(C(=O)O[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000012436820 371965070 /nfs/dbraw/zinc/96/50/70/371965070.db2.gz GZVRRJMREYBBIV-SLEUVZQESA-N 1 1 277.364 2.581 50 0 CFAAMO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000012590144 371977757 /nfs/dbraw/zinc/97/77/57/371977757.db2.gz FMOJTMPMAZTHLQ-CQSZACIVSA-N 1 1 290.338 2.746 50 0 CFAAMO Cc1oc(-c2ccc(F)cc2)nc1C[N@H+]1CCC[C@@H](O)C1 ZINC000012590144 371977759 /nfs/dbraw/zinc/97/77/59/371977759.db2.gz FMOJTMPMAZTHLQ-CQSZACIVSA-N 1 1 290.338 2.746 50 0 CFAAMO Cc1cc(OCCCF)c(C)cc1C[NH+]1CCOCC1 ZINC000012953929 372003006 /nfs/dbraw/zinc/00/30/06/372003006.db2.gz XBVJMXMPUHTQHS-UHFFFAOYSA-N 1 1 281.371 2.874 50 0 CFAAMO Cc1cc(C)cc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012363270 371954993 /nfs/dbraw/zinc/95/49/93/371954993.db2.gz ZZYBUZMZIBEEOQ-GASCZTMLSA-N 1 1 290.407 2.741 50 0 CFAAMO Cc1occc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016604117 372113486 /nfs/dbraw/zinc/11/34/86/372113486.db2.gz VXYIJLXGCWGMOF-UHFFFAOYSA-N 1 1 298.386 2.589 50 0 CFAAMO C[C@H](C(=O)NCc1ccco1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000016699582 372118184 /nfs/dbraw/zinc/11/81/84/372118184.db2.gz BRUACDORBRZLDY-UONOGXRCSA-N 1 1 286.375 2.977 50 0 CFAAMO CC(=O)c1cc(C[NH2+]Cc2cccnc2N(C)C)cs1 ZINC000015070096 372078331 /nfs/dbraw/zinc/07/83/31/372078331.db2.gz IMZNDLGUVUSPGF-UHFFFAOYSA-N 1 1 289.404 2.702 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000015075050 372079057 /nfs/dbraw/zinc/07/90/57/372079057.db2.gz KFFPFPIDNYFXQS-AWEZNQCLSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000015075050 372079063 /nfs/dbraw/zinc/07/90/63/372079063.db2.gz KFFPFPIDNYFXQS-AWEZNQCLSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000015075050 372079067 /nfs/dbraw/zinc/07/90/67/372079067.db2.gz KFFPFPIDNYFXQS-AWEZNQCLSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000015075050 372079072 /nfs/dbraw/zinc/07/90/72/372079072.db2.gz KFFPFPIDNYFXQS-AWEZNQCLSA-N 1 1 274.343 2.625 50 0 CFAAMO O[C@@H]1/C(=C/c2cc3ccccc3o2)[NH+]2CCC1CC2 ZINC000015017090 372079164 /nfs/dbraw/zinc/07/91/64/372079164.db2.gz OEZRTOHMPGWJNS-DNXIFWLFSA-N 1 1 255.317 2.860 50 0 CFAAMO Cc1ccc([C@H](CNC(=O)c2cccs2)[NH+](C)C)o1 ZINC000015860113 372094388 /nfs/dbraw/zinc/09/43/88/372094388.db2.gz WXIWDFLIQPJALI-NSHDSACASA-N 1 1 278.377 2.682 50 0 CFAAMO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000016342736 372104463 /nfs/dbraw/zinc/10/44/63/372104463.db2.gz NQECGJBXCHRGIP-OAHLLOKOSA-N 1 1 260.381 2.520 50 0 CFAAMO C[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000019537704 372173577 /nfs/dbraw/zinc/17/35/77/372173577.db2.gz IZRMMAFVFMFKSJ-UHFFFAOYSA-N 1 1 294.398 2.593 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000019536464 372173709 /nfs/dbraw/zinc/17/37/09/372173709.db2.gz DJEZEGQIKVSFRB-LBPRGKRZSA-N 1 1 267.394 2.832 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019537049 372173810 /nfs/dbraw/zinc/17/38/10/372173810.db2.gz ULKSOVUNGLZHNE-NSHDSACASA-N 1 1 253.367 2.523 50 0 CFAAMO CCCCOc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000019632998 372177595 /nfs/dbraw/zinc/17/75/95/372177595.db2.gz VMWBJAHBXSRIBZ-UHFFFAOYSA-N 1 1 262.397 2.613 50 0 CFAAMO CC(C)[NH+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000019638244 372177986 /nfs/dbraw/zinc/17/79/86/372177986.db2.gz OABRGFCTTVKIEM-UHFFFAOYSA-N 1 1 284.407 2.603 50 0 CFAAMO COc1cc2c(cc1O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]2O ZINC000017027520 372126401 /nfs/dbraw/zinc/12/64/01/372126401.db2.gz QVZIJKZJCCSTJP-WBVHZDCISA-N 1 1 299.370 2.663 50 0 CFAAMO OCC[C@@H]1C[N@@H+](CC2CCCCC2)CCN1C1CCCC1 ZINC000020419342 372237233 /nfs/dbraw/zinc/23/72/33/372237233.db2.gz CHTBCENFLGVKFC-GOSISDBHSA-N 1 1 294.483 2.878 50 0 CFAAMO OCC[C@@H]1CN(CC2CCCCC2)CC[N@@H+]1C1CCCC1 ZINC000020419342 372237239 /nfs/dbraw/zinc/23/72/39/372237239.db2.gz CHTBCENFLGVKFC-GOSISDBHSA-N 1 1 294.483 2.878 50 0 CFAAMO OCC[C@@H]1CN(CC2CCCCC2)CC[N@H+]1C1CCCC1 ZINC000020419342 372237243 /nfs/dbraw/zinc/23/72/43/372237243.db2.gz CHTBCENFLGVKFC-GOSISDBHSA-N 1 1 294.483 2.878 50 0 CFAAMO CC[NH+](CC)CCNCCOc1ccccc1Cl ZINC000019737642 372183906 /nfs/dbraw/zinc/18/39/06/372183906.db2.gz FSALKFHCQOHCOZ-UHFFFAOYSA-N 1 1 270.804 2.650 50 0 CFAAMO CNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019794364 372187925 /nfs/dbraw/zinc/18/79/25/372187925.db2.gz URSVQYHWEKTJGL-UHFFFAOYSA-N 1 1 280.371 2.605 50 0 CFAAMO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000019850518 372200779 /nfs/dbraw/zinc/20/07/79/372200779.db2.gz HRRFJZULVYGVNJ-ZDUSSCGKSA-N 1 1 262.353 2.568 50 0 CFAAMO CCC(CC)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000019902287 372203305 /nfs/dbraw/zinc/20/33/05/372203305.db2.gz RYKCWCHNWJWFHP-UHFFFAOYSA-N 1 1 296.455 2.574 50 0 CFAAMO CCOc1cc(CNC[C@H]2CCC[N@@H+]2CC)ccc1OC ZINC000022936442 372249045 /nfs/dbraw/zinc/24/90/45/372249045.db2.gz YRRXZVMYHNUNAC-OAHLLOKOSA-N 1 1 292.423 2.668 50 0 CFAAMO CCOc1cc(CNC[C@H]2CCC[N@H+]2CC)ccc1OC ZINC000022936442 372249050 /nfs/dbraw/zinc/24/90/50/372249050.db2.gz YRRXZVMYHNUNAC-OAHLLOKOSA-N 1 1 292.423 2.668 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+](C)C2CC2)c(Br)c1 ZINC000023172723 372253727 /nfs/dbraw/zinc/25/37/27/372253727.db2.gz XLACKXLNRMRYIQ-UHFFFAOYSA-N 1 1 297.196 2.790 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C)C2CC2)c(Br)c1 ZINC000023172723 372253735 /nfs/dbraw/zinc/25/37/35/372253735.db2.gz XLACKXLNRMRYIQ-UHFFFAOYSA-N 1 1 297.196 2.790 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1cc2ccccc2n1C ZINC000023476997 372261089 /nfs/dbraw/zinc/26/10/89/372261089.db2.gz ZZKBQLPSJLJFEL-HNNXBMFYSA-N 1 1 271.408 2.752 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1cc2ccccc2n1C ZINC000023476997 372261093 /nfs/dbraw/zinc/26/10/93/372261093.db2.gz ZZKBQLPSJLJFEL-HNNXBMFYSA-N 1 1 271.408 2.752 50 0 CFAAMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000023623521 372263106 /nfs/dbraw/zinc/26/31/06/372263106.db2.gz FSQPZQITBAXHQI-CHWSQXEVSA-N 1 1 276.380 2.754 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccco1)[C@H]1CCc2ccccc21 ZINC000024985117 372285224 /nfs/dbraw/zinc/28/52/24/372285224.db2.gz QJMFLQCPQCWTGO-INIZCTEOSA-N 1 1 284.359 2.515 50 0 CFAAMO C[C@@H](C[NH+]1CCOCC1)Oc1ccc2ccccc2c1 ZINC000025757545 372306151 /nfs/dbraw/zinc/30/61/51/372306151.db2.gz FUXADDUUYNYVON-AWEZNQCLSA-N 1 1 271.360 2.939 50 0 CFAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000025949802 372309820 /nfs/dbraw/zinc/30/98/20/372309820.db2.gz XGIPVSCGMKIUIU-QGZVFWFLSA-N 1 1 295.386 2.727 50 0 CFAAMO C[C@H](CNC(=O)C[C@@H]1C=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025941184 372311107 /nfs/dbraw/zinc/31/11/07/372311107.db2.gz DBAXTLJCTUOZDF-HZPDHXFCSA-N 1 1 298.430 2.906 50 0 CFAAMO CCOCc1ccccc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026996574 372332526 /nfs/dbraw/zinc/33/25/26/372332526.db2.gz SFRMXIJKOIXKLS-KRWDZBQOSA-N 1 1 298.386 2.539 50 0 CFAAMO c1ccc2c(c1)ncnc2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000029588936 372382766 /nfs/dbraw/zinc/38/27/66/372382766.db2.gz DQCNXVRSFPCBAE-GFCCVEGCSA-N 1 1 268.364 2.526 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)C2CCCCCC2)on1 ZINC000032901386 372473190 /nfs/dbraw/zinc/47/31/90/372473190.db2.gz QLJNUNPZSIGNCY-UHFFFAOYSA-N 1 1 265.357 2.576 50 0 CFAAMO CC(C)Oc1ccc(C[NH2+]CCCN(C)C)cc1 ZINC000032105924 372427277 /nfs/dbraw/zinc/42/72/77/372427277.db2.gz XAHPRQLXBFRXQZ-UHFFFAOYSA-N 1 1 250.386 2.515 50 0 CFAAMO CC(C)N1CCC([N@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032503404 372441240 /nfs/dbraw/zinc/44/12/40/372441240.db2.gz KSUFFOUHGNQUQD-INIZCTEOSA-N 1 1 268.445 2.750 50 0 CFAAMO CC(C)N1CCC([N@@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032503404 372441244 /nfs/dbraw/zinc/44/12/44/372441244.db2.gz KSUFFOUHGNQUQD-INIZCTEOSA-N 1 1 268.445 2.750 50 0 CFAAMO CC(C)N1CCC([N@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032503402 372441404 /nfs/dbraw/zinc/44/14/04/372441404.db2.gz KSUFFOUHGNQUQD-MRXNPFEDSA-N 1 1 268.445 2.750 50 0 CFAAMO CC(C)N1CCC([N@@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032503402 372441408 /nfs/dbraw/zinc/44/14/08/372441408.db2.gz KSUFFOUHGNQUQD-MRXNPFEDSA-N 1 1 268.445 2.750 50 0 CFAAMO NC(=O)CC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000032514433 372443290 /nfs/dbraw/zinc/44/32/90/372443290.db2.gz MYZSGKMUPABOTE-UHFFFAOYSA-N 1 1 282.387 2.607 50 0 CFAAMO CCN1CCC[C@@H](C[N@H+](C)C2CCSCC2)C1 ZINC000032593227 372447152 /nfs/dbraw/zinc/44/71/52/372447152.db2.gz NTYIEYPUKUXUHT-ZDUSSCGKSA-N 1 1 256.459 2.546 50 0 CFAAMO CCN1CCC[C@@H](C[N@@H+](C)C2CCSCC2)C1 ZINC000032593227 372447156 /nfs/dbraw/zinc/44/71/56/372447156.db2.gz NTYIEYPUKUXUHT-ZDUSSCGKSA-N 1 1 256.459 2.546 50 0 CFAAMO C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000032814815 372464664 /nfs/dbraw/zinc/46/46/64/372464664.db2.gz FDAOZRBKQSCWPO-UHFFFAOYSA-N 1 1 272.270 2.738 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000032814815 372464672 /nfs/dbraw/zinc/46/46/72/372464672.db2.gz FDAOZRBKQSCWPO-UHFFFAOYSA-N 1 1 272.270 2.738 50 0 CFAAMO C[N@@H+](CCOC(=O)/C=C\c1ccco1)Cc1ccccc1 ZINC000033432151 372494887 /nfs/dbraw/zinc/49/48/87/372494887.db2.gz JUAZECOXJLFJHX-KTKRTIGZSA-N 1 1 285.343 2.968 50 0 CFAAMO CCC[N@H+](Cc1ccc(C)o1)C[C@H](O)COC(C)(C)C ZINC000036097896 372557440 /nfs/dbraw/zinc/55/74/40/372557440.db2.gz CGRWRZXDDBJZEC-AWEZNQCLSA-N 1 1 283.412 2.976 50 0 CFAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC1CC1 ZINC000036393911 372578785 /nfs/dbraw/zinc/57/87/85/372578785.db2.gz WOMFNEHYNUBXBC-NSHDSACASA-N 1 1 272.348 2.704 50 0 CFAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC1CC1 ZINC000036393911 372578789 /nfs/dbraw/zinc/57/87/89/372578789.db2.gz WOMFNEHYNUBXBC-NSHDSACASA-N 1 1 272.348 2.704 50 0 CFAAMO C[C@H](C(=O)NCc1cccs1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036431083 372580992 /nfs/dbraw/zinc/58/09/92/372580992.db2.gz IGQOGXZLYQEXHB-FRRDWIJNSA-N 1 1 280.437 2.731 50 0 CFAAMO CC(C)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000036753894 372588209 /nfs/dbraw/zinc/58/82/09/372588209.db2.gz LIOGYFOFHFUIEW-UHFFFAOYSA-N 1 1 271.364 2.544 50 0 CFAAMO CC[N@@H+]1CC[C@@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000041651856 372856871 /nfs/dbraw/zinc/85/68/71/372856871.db2.gz MMHVGNHORNINFX-AWEZNQCLSA-N 1 1 284.407 2.508 50 0 CFAAMO CC[N@H+]1CC[C@@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000041651856 372856879 /nfs/dbraw/zinc/85/68/79/372856879.db2.gz MMHVGNHORNINFX-AWEZNQCLSA-N 1 1 284.407 2.508 50 0 CFAAMO COCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000047190805 373081672 /nfs/dbraw/zinc/08/16/72/373081672.db2.gz XFBGPBLPUDBOSV-CYBMUJFWSA-N 1 1 276.380 2.646 50 0 CFAAMO CC(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000048920177 373231304 /nfs/dbraw/zinc/23/13/04/373231304.db2.gz KJUMQUAIEXQQOC-DZGCQCFKSA-N 1 1 260.381 2.594 50 0 CFAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(N)=O)C1CC1 ZINC000049237349 373278533 /nfs/dbraw/zinc/27/85/33/373278533.db2.gz JQCPEWQJKSDGDO-SECBINFHSA-N 1 1 286.297 2.716 50 0 CFAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(N)=O)C1CC1 ZINC000049237349 373278539 /nfs/dbraw/zinc/27/85/39/373278539.db2.gz JQCPEWQJKSDGDO-SECBINFHSA-N 1 1 286.297 2.716 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Cl)cc1Cl ZINC000049460988 373299265 /nfs/dbraw/zinc/29/92/65/373299265.db2.gz ZMQDYRAGLNPZRQ-UHFFFAOYSA-N 1 1 298.173 2.928 50 0 CFAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCc1ccccc1 ZINC000051404524 373394239 /nfs/dbraw/zinc/39/42/39/373394239.db2.gz WENQOTYRIXSCAK-GOSISDBHSA-N 1 1 299.414 2.909 50 0 CFAAMO CCOC(=O)CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000053399543 373477339 /nfs/dbraw/zinc/47/73/39/373477339.db2.gz XGPDPJDWDBKLNG-NSHDSACASA-N 1 1 253.367 2.838 50 0 CFAAMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000052074514 373434216 /nfs/dbraw/zinc/43/42/16/373434216.db2.gz NKXANMOSDVCCMR-LBPRGKRZSA-N 1 1 274.339 2.717 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000054976516 373532254 /nfs/dbraw/zinc/53/22/54/373532254.db2.gz GDGJJJMFINQFHI-XJKCOSOUSA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000054976516 373532260 /nfs/dbraw/zinc/53/22/60/373532260.db2.gz GDGJJJMFINQFHI-XJKCOSOUSA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000054976516 373532265 /nfs/dbraw/zinc/53/22/65/373532265.db2.gz GDGJJJMFINQFHI-XJKCOSOUSA-N 1 1 262.397 2.514 50 0 CFAAMO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cc(C)nn1C ZINC000055369154 373549747 /nfs/dbraw/zinc/54/97/47/373549747.db2.gz NXGPMBDENGBXFW-AWEZNQCLSA-N 1 1 293.436 2.563 50 0 CFAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1cc(C)nn1C ZINC000055369154 373549753 /nfs/dbraw/zinc/54/97/53/373549753.db2.gz NXGPMBDENGBXFW-AWEZNQCLSA-N 1 1 293.436 2.563 50 0 CFAAMO CCOCC[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000058528031 373660297 /nfs/dbraw/zinc/66/02/97/373660297.db2.gz CZACLBLEJZEQJT-UHFFFAOYSA-N 1 1 269.410 2.885 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)s1 ZINC000060567877 373699416 /nfs/dbraw/zinc/69/94/16/373699416.db2.gz VGTJFXIKZYBXKU-VHSXEESVSA-N 1 1 284.812 2.758 50 0 CFAAMO Cc1nc(C[NH+]2CCCCCCC2)n(-c2ccccn2)n1 ZINC000065489529 373878066 /nfs/dbraw/zinc/87/80/66/373878066.db2.gz UFVXGUVGKROERD-UHFFFAOYSA-N 1 1 285.395 2.737 50 0 CFAAMO FC(F)Oc1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000065541941 373884180 /nfs/dbraw/zinc/88/41/80/373884180.db2.gz XPWQYSMVJADMTH-CQSZACIVSA-N 1 1 296.361 2.958 50 0 CFAAMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccccc1-c1ccco1 ZINC000065533896 373884592 /nfs/dbraw/zinc/88/45/92/373884592.db2.gz WGFHZZHBJQCYGU-CYBMUJFWSA-N 1 1 286.375 2.855 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2cccc(C)c2)n1 ZINC000065288344 373854669 /nfs/dbraw/zinc/85/46/69/373854669.db2.gz YDZBXTWNXAXSLO-UHFFFAOYSA-N 1 1 268.320 2.852 50 0 CFAAMO Cc1oc(C(C)C)nc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000065293516 373854973 /nfs/dbraw/zinc/85/49/73/373854973.db2.gz LNRAPAMHZWPHND-LBPRGKRZSA-N 1 1 293.411 2.568 50 0 CFAAMO C[C@@H](Cc1ccccn1)[N@@H+](C)C1CCSCC1 ZINC000065370585 373858618 /nfs/dbraw/zinc/85/86/18/373858618.db2.gz IDLDVYLXHRCTIN-LBPRGKRZSA-N 1 1 250.411 2.840 50 0 CFAAMO CCN(Cc1ccc(C(C)=O)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000065375409 373860453 /nfs/dbraw/zinc/86/04/53/373860453.db2.gz QTEHUXFSJCASEI-INIZCTEOSA-N 1 1 274.408 2.663 50 0 CFAAMO C[C@@H](CCc1ccccc1)[NH2+]CCSc1cn[nH]n1 ZINC000065398019 373866110 /nfs/dbraw/zinc/86/61/10/373866110.db2.gz GAPVOTSQBOBUDA-LBPRGKRZSA-N 1 1 276.409 2.508 50 0 CFAAMO Cc1ccoc1C(=O)NCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000067697033 373994978 /nfs/dbraw/zinc/99/49/78/373994978.db2.gz UNRSXLKILRRVAI-MRXNPFEDSA-N 1 1 298.386 2.807 50 0 CFAAMO CC(C)Cc1cc(C[NH2+]C2CSCCSC2)no1 ZINC000067739684 373997108 /nfs/dbraw/zinc/99/71/08/373997108.db2.gz ZDFYXOAFIAUMJR-UHFFFAOYSA-N 1 1 286.466 2.811 50 0 CFAAMO C[C@@H](CN1CCCCCC1)[NH2+]Cc1ccc2nonc2c1 ZINC000067773689 374002623 /nfs/dbraw/zinc/00/26/23/374002623.db2.gz PYVZLAHUVKMDDK-ZDUSSCGKSA-N 1 1 288.395 2.577 50 0 CFAAMO Cc1nc(C(C)C)sc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000067804341 374004540 /nfs/dbraw/zinc/00/45/40/374004540.db2.gz RHLKNFBLBQJGDU-GFCCVEGCSA-N 1 1 295.452 2.647 50 0 CFAAMO Cc1ccccc1CSCC[NH2+][C@@H]1CCCNC1 ZINC000067817391 374004864 /nfs/dbraw/zinc/00/48/64/374004864.db2.gz LZLYOICKMKAPCO-OAHLLOKOSA-N 1 1 264.438 2.570 50 0 CFAAMO Cc1noc(-c2ccccc2O[C@@]23CC[N@@H+](C2)CCC3)n1 ZINC000067869044 374011301 /nfs/dbraw/zinc/01/13/01/374011301.db2.gz MRLOKIZSAUXNFT-INIZCTEOSA-N 1 1 285.347 2.662 50 0 CFAAMO Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)o2)cc1 ZINC000067885185 374013974 /nfs/dbraw/zinc/01/39/74/374013974.db2.gz MUMZJRDBUNKYCR-AWEZNQCLSA-N 1 1 298.386 2.937 50 0 CFAAMO FC(F)(F)CC[N@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000067649861 373988037 /nfs/dbraw/zinc/98/80/37/373988037.db2.gz KYFZXHCXGSZBBK-NSHDSACASA-N 1 1 261.291 2.548 50 0 CFAAMO CC[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000067689307 373991403 /nfs/dbraw/zinc/99/14/03/373991403.db2.gz YGFVJXQCIGJDNJ-INIZCTEOSA-N 1 1 272.392 2.558 50 0 CFAAMO C[C@@H](c1nccn1CCC[NH+]1CCOCC1)c1ccccc1 ZINC000067675771 373991545 /nfs/dbraw/zinc/99/15/45/373991545.db2.gz COQUHJNKCXDLGY-MRXNPFEDSA-N 1 1 299.418 2.757 50 0 CFAAMO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1 ZINC000068692914 374036240 /nfs/dbraw/zinc/03/62/40/374036240.db2.gz HNMXPIBGDPNBHL-KRWDZBQOSA-N 1 1 260.425 2.939 50 0 CFAAMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1 ZINC000068692914 374036253 /nfs/dbraw/zinc/03/62/53/374036253.db2.gz HNMXPIBGDPNBHL-KRWDZBQOSA-N 1 1 260.425 2.939 50 0 CFAAMO Cc1ncc(C[N@@H+](C)C[C@@H](O)c2ccccc2F)s1 ZINC000069347641 374055968 /nfs/dbraw/zinc/05/59/68/374055968.db2.gz XXNGFJIJPBXPLD-CQSZACIVSA-N 1 1 280.368 2.756 50 0 CFAAMO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000069413705 374059395 /nfs/dbraw/zinc/05/93/95/374059395.db2.gz TZCXVTAFEBBOPB-CHWSQXEVSA-N 1 1 297.362 2.672 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)c1ccccc1F ZINC000069558254 374073170 /nfs/dbraw/zinc/07/31/70/374073170.db2.gz KVYPFDJVFYUQRY-WBMJQRKESA-N 1 1 274.339 2.737 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000069558254 374073173 /nfs/dbraw/zinc/07/31/73/374073173.db2.gz KVYPFDJVFYUQRY-WBMJQRKESA-N 1 1 274.339 2.737 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC2CCCC2)n1 ZINC000069582779 374076928 /nfs/dbraw/zinc/07/69/28/374076928.db2.gz MBEBWBSZRFLVLJ-HNNXBMFYSA-N 1 1 262.401 2.550 50 0 CFAAMO CC(C)[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H](C)O ZINC000069900611 374109297 /nfs/dbraw/zinc/10/92/97/374109297.db2.gz AIVICZMIZQDHHR-GFCCVEGCSA-N 1 1 298.814 2.760 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000069900195 374109742 /nfs/dbraw/zinc/10/97/42/374109742.db2.gz HRVGXGANKXJONU-GFCCVEGCSA-N 1 1 292.770 2.650 50 0 CFAAMO Cc1cnn(CC[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000070005034 374114959 /nfs/dbraw/zinc/11/49/59/374114959.db2.gz UWOAGTOBEJWRJQ-ZDUSSCGKSA-N 1 1 297.362 2.592 50 0 CFAAMO Cc1occc1C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000069770573 374095040 /nfs/dbraw/zinc/09/50/40/374095040.db2.gz JAEAPDBLBPCGLP-ZDUSSCGKSA-N 1 1 273.336 2.570 50 0 CFAAMO c1ncn(C[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000069843713 374105221 /nfs/dbraw/zinc/10/52/21/374105221.db2.gz XDKPFPAGVWREFR-QGZVFWFLSA-N 1 1 284.407 2.623 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000069899376 374106634 /nfs/dbraw/zinc/10/66/34/374106634.db2.gz DTVAILRFEDWXBT-KBPBESRZSA-N 1 1 295.814 2.757 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNCc2c[nH]nc2C(C)(C)C)C1 ZINC000071837282 374227865 /nfs/dbraw/zinc/22/78/65/374227865.db2.gz ZVJRQTRVZLVVTM-ZDUSSCGKSA-N 1 1 278.444 2.527 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072421962 374251972 /nfs/dbraw/zinc/25/19/72/374251972.db2.gz PTPVRRHTRRVSKZ-QGZVFWFLSA-N 1 1 291.435 2.858 50 0 CFAAMO CO[C@@H]1CC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072475017 374256441 /nfs/dbraw/zinc/25/64/41/374256441.db2.gz KJBGHHWBVSQIOW-MRXNPFEDSA-N 1 1 277.408 2.611 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cnc(C)cn2)n1 ZINC000072253292 374238427 /nfs/dbraw/zinc/23/84/27/374238427.db2.gz YIUSGYYVCJDQDY-KRWDZBQOSA-N 1 1 299.422 2.653 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)c3ccncc3)C2)no1 ZINC000072277655 374240178 /nfs/dbraw/zinc/24/01/78/374240178.db2.gz BTCSETGEUFDXNL-FZMZJTMJSA-N 1 1 272.352 2.714 50 0 CFAAMO C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1F ZINC000072293065 374242272 /nfs/dbraw/zinc/24/22/72/374242272.db2.gz ORZFPQNPWTWCRE-VIFPVBQESA-N 1 1 270.735 2.902 50 0 CFAAMO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1F ZINC000072293065 374242274 /nfs/dbraw/zinc/24/22/74/374242274.db2.gz ORZFPQNPWTWCRE-VIFPVBQESA-N 1 1 270.735 2.902 50 0 CFAAMO CC[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000074798404 374437646 /nfs/dbraw/zinc/43/76/46/374437646.db2.gz AFNFSUOLXPKCRW-HOCLYGCPSA-N 1 1 295.448 2.547 50 0 CFAAMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000075839260 374506776 /nfs/dbraw/zinc/50/67/76/374506776.db2.gz KXZOWQMUCKZNNR-WQVCFCJDSA-N 1 1 288.391 2.594 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000075839260 374506783 /nfs/dbraw/zinc/50/67/83/374506783.db2.gz KXZOWQMUCKZNNR-WQVCFCJDSA-N 1 1 288.391 2.594 50 0 CFAAMO C[N@@H+](Cc1ccncc1)[C@H](CCO)c1ccccc1 ZINC000075900104 374511500 /nfs/dbraw/zinc/51/15/00/374511500.db2.gz ZKBISAVJZIRUTJ-MRXNPFEDSA-N 1 1 256.349 2.637 50 0 CFAAMO CC(C)[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CCOCC1 ZINC000077323794 374562642 /nfs/dbraw/zinc/56/26/42/374562642.db2.gz GOXLWVDPLJJINO-HOCLYGCPSA-N 1 1 296.455 2.571 50 0 CFAAMO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000078950270 374576782 /nfs/dbraw/zinc/57/67/82/374576782.db2.gz MCELIRJKBGHNNR-IAGOWNOFSA-N 1 1 288.435 2.710 50 0 CFAAMO Cc1[nH+]cn(C[C@H](O)c2ccccc2Cl)c1C ZINC000079090671 374592586 /nfs/dbraw/zinc/59/25/86/374592586.db2.gz ZPESYOVIKRDVJQ-ZDUSSCGKSA-N 1 1 250.729 2.887 50 0 CFAAMO COC[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000079091023 374592706 /nfs/dbraw/zinc/59/27/06/374592706.db2.gz GSWXPAOPCAYBRN-GFCCVEGCSA-N 1 1 266.385 2.831 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000079091023 374592714 /nfs/dbraw/zinc/59/27/14/374592714.db2.gz GSWXPAOPCAYBRN-GFCCVEGCSA-N 1 1 266.385 2.831 50 0 CFAAMO Cc1cc(=O)c(O)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000079480469 374616738 /nfs/dbraw/zinc/61/67/38/374616738.db2.gz RIICMDWTTQRFIF-CQSZACIVSA-N 1 1 285.343 2.643 50 0 CFAAMO C[C@@H]1C[C@H](NCc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338426 374651325 /nfs/dbraw/zinc/65/13/25/374651325.db2.gz YNSJKKNVCACIEU-GDBMZVCRSA-N 1 1 284.407 2.552 50 0 CFAAMO O[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2ccccc21 ZINC000082107177 374726382 /nfs/dbraw/zinc/72/63/82/374726382.db2.gz DILDPEKZBZRDJV-INIZCTEOSA-N 1 1 295.342 2.719 50 0 CFAAMO O[C@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2ccccc21 ZINC000082107177 374726392 /nfs/dbraw/zinc/72/63/92/374726392.db2.gz DILDPEKZBZRDJV-INIZCTEOSA-N 1 1 295.342 2.719 50 0 CFAAMO Cn1ccnc1[C@H]1CCC[N@@H+](CCC(F)(F)C(F)F)C1 ZINC000082126036 374728873 /nfs/dbraw/zinc/72/88/73/374728873.db2.gz HOKGVTQSOWWBDJ-JTQLQIEISA-N 1 1 293.308 2.890 50 0 CFAAMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000082324719 374735786 /nfs/dbraw/zinc/73/57/86/374735786.db2.gz JEVYANKVQIJBND-LBPRGKRZSA-N 1 1 252.745 2.681 50 0 CFAAMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000082324719 374735792 /nfs/dbraw/zinc/73/57/92/374735792.db2.gz JEVYANKVQIJBND-LBPRGKRZSA-N 1 1 252.745 2.681 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000084199786 374768504 /nfs/dbraw/zinc/76/85/04/374768504.db2.gz UVYCPHYYJKMEAN-SNVBAGLBSA-N 1 1 296.333 2.880 50 0 CFAAMO c1ccc(CCC[N@@H+]2CCn3c(nnc3C3CC3)C2)cc1 ZINC000084528552 374781636 /nfs/dbraw/zinc/78/16/36/374781636.db2.gz UHNKDORWENGXEF-UHFFFAOYSA-N 1 1 282.391 2.604 50 0 CFAAMO c1ccc(CCC[N@H+]2CCn3c(nnc3C3CC3)C2)cc1 ZINC000084528552 374781645 /nfs/dbraw/zinc/78/16/45/374781645.db2.gz UHNKDORWENGXEF-UHFFFAOYSA-N 1 1 282.391 2.604 50 0 CFAAMO CCCC[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000084744490 374789412 /nfs/dbraw/zinc/78/94/12/374789412.db2.gz MLRBBZKRTHMLLM-UHFFFAOYSA-N 1 1 293.407 2.913 50 0 CFAAMO OCC[N@@H+](C/C=C/c1ccccc1)Cc1cccnc1 ZINC000089821399 374958222 /nfs/dbraw/zinc/95/82/22/374958222.db2.gz HQBKXSPSPBXOMU-WEVVVXLNSA-N 1 1 268.360 2.589 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000089873174 374962731 /nfs/dbraw/zinc/96/27/31/374962731.db2.gz YVIWKCGIDZXAPY-CQSZACIVSA-N 1 1 280.371 2.806 50 0 CFAAMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000092705547 375139463 /nfs/dbraw/zinc/13/94/63/375139463.db2.gz MHNLRJXBXCEBJJ-HNNXBMFYSA-N 1 1 278.371 2.625 50 0 CFAAMO CCSC[C@H](C)[N@@H+](C)Cc1nc(C)ccc1O ZINC000093739306 375305041 /nfs/dbraw/zinc/30/50/41/375305041.db2.gz GULJPBFXLMPJTE-NSHDSACASA-N 1 1 254.399 2.669 50 0 CFAAMO CCn1cc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)cn1 ZINC000093593096 375271817 /nfs/dbraw/zinc/27/18/17/375271817.db2.gz ACEDYKOKFQBWDK-HNNXBMFYSA-N 1 1 285.391 2.901 50 0 CFAAMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1N(C)C ZINC000093941957 375332402 /nfs/dbraw/zinc/33/24/02/375332402.db2.gz MHWIXIOPYFPLMO-DYVFJYSZSA-N 1 1 297.402 2.630 50 0 CFAAMO Cc1ccccc1[C@@H](C(=O)N1CCC(F)(F)CC1)[NH+](C)C ZINC000095372124 375422848 /nfs/dbraw/zinc/42/28/48/375422848.db2.gz YMGTUWHURRLRLU-AWEZNQCLSA-N 1 1 296.361 2.855 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCn1c(=O)ccc2ccccc21 ZINC000095378635 375424753 /nfs/dbraw/zinc/42/47/53/375424753.db2.gz JJJVAGXTCZXELK-HNNXBMFYSA-N 1 1 270.376 2.876 50 0 CFAAMO Cc1nc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)sc1C ZINC000095384188 375426705 /nfs/dbraw/zinc/42/67/05/375426705.db2.gz AXYHRWYJWTYNOC-ZDUSSCGKSA-N 1 1 295.452 2.641 50 0 CFAAMO C[C@H](CCSc1ccccc1)[N@H+]1CC[C@H](CO)C1 ZINC000095430714 375445609 /nfs/dbraw/zinc/44/56/09/375445609.db2.gz QOOUGLHYKBEGKC-KGLIPLIRSA-N 1 1 265.422 2.872 50 0 CFAAMO CSCC[C@@H](C)[N@@H+](C)Cc1cn2c(n1)nc(C)cc2C ZINC000095432014 375446863 /nfs/dbraw/zinc/44/68/63/375446863.db2.gz UXISVVSMIPJWBI-GFCCVEGCSA-N 1 1 292.452 2.920 50 0 CFAAMO CSCc1noc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000096166642 375473720 /nfs/dbraw/zinc/47/37/20/375473720.db2.gz PIYHOJFCCLJFKU-SNVBAGLBSA-N 1 1 255.387 2.520 50 0 CFAAMO Cc1n[nH]cc1C[NH2+]Cc1cccnc1OC1CCCC1 ZINC000097159336 375532969 /nfs/dbraw/zinc/53/29/69/375532969.db2.gz KCMVAPOVERAEOL-UHFFFAOYSA-N 1 1 286.379 2.724 50 0 CFAAMO COc1cc(CN(C)C[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000097228996 375542010 /nfs/dbraw/zinc/54/20/10/375542010.db2.gz FRBWSYJJPFDJAU-CQSZACIVSA-N 1 1 294.464 2.849 50 0 CFAAMO Cn1ccnc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000096452017 375487453 /nfs/dbraw/zinc/48/74/53/375487453.db2.gz KHDXPELNIACMRY-INIZCTEOSA-N 1 1 284.407 2.521 50 0 CFAAMO Cn1ccnc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000096452017 375487455 /nfs/dbraw/zinc/48/74/55/375487455.db2.gz KHDXPELNIACMRY-INIZCTEOSA-N 1 1 284.407 2.521 50 0 CFAAMO c1ccc(C2CCC([NH2+]N3CCOCC3)CC2)cc1 ZINC000097053538 375506052 /nfs/dbraw/zinc/50/60/52/375506052.db2.gz ICLHZZGZTNGMAV-UHFFFAOYSA-N 1 1 260.381 2.550 50 0 CFAAMO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000097056738 375506175 /nfs/dbraw/zinc/50/61/75/375506175.db2.gz CPKHVTCONKBGEF-GFCCVEGCSA-N 1 1 280.387 2.951 50 0 CFAAMO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000097056738 375506181 /nfs/dbraw/zinc/50/61/81/375506181.db2.gz CPKHVTCONKBGEF-GFCCVEGCSA-N 1 1 280.387 2.951 50 0 CFAAMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095367 375515183 /nfs/dbraw/zinc/51/51/83/375515183.db2.gz PPWORVYBTCTFMN-CHWSQXEVSA-N 1 1 258.365 2.761 50 0 CFAAMO COc1cccc([C@@H]2CN(c3cccc(C)[nH+]3)CCO2)c1 ZINC000097096639 375516674 /nfs/dbraw/zinc/51/66/74/375516674.db2.gz JUAMGMOCUYDROE-INIZCTEOSA-N 1 1 284.359 2.977 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1cccc(F)c1 ZINC000097107605 375519794 /nfs/dbraw/zinc/51/97/94/375519794.db2.gz ZPVQWWFWPSTENF-QIAWRQBBSA-N 1 1 290.382 2.830 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1ccc(-n2cccn2)cc1 ZINC000097109633 375522154 /nfs/dbraw/zinc/52/21/54/375522154.db2.gz RQJNVVCDFANBLC-UHFFFAOYSA-N 1 1 292.386 2.942 50 0 CFAAMO Cc1cnc([C@@H](C)NCC[NH+]2CCCCC2)s1 ZINC000097112403 375522584 /nfs/dbraw/zinc/52/25/84/375522584.db2.gz XXUOOEAQEJIYSP-GFCCVEGCSA-N 1 1 253.415 2.588 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccccn1 ZINC000097113798 375524389 /nfs/dbraw/zinc/52/43/89/375524389.db2.gz VORFHAQBXUJSRV-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccccn1 ZINC000097113798 375524392 /nfs/dbraw/zinc/52/43/92/375524392.db2.gz VORFHAQBXUJSRV-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000097139202 375527859 /nfs/dbraw/zinc/52/78/59/375527859.db2.gz TUVVMUPIHSCSPM-CYBMUJFWSA-N 1 1 275.421 2.936 50 0 CFAAMO CCSc1ncc(C[N@@H+](C)C2CCSCC2)cn1 ZINC000097475617 375565133 /nfs/dbraw/zinc/56/51/33/375565133.db2.gz SWXDHLDGSGYMKX-UHFFFAOYSA-N 1 1 283.466 2.916 50 0 CFAAMO OCC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000097495125 375566818 /nfs/dbraw/zinc/56/68/18/375566818.db2.gz XBDUBTFBMYRHGE-NSHDSACASA-N 1 1 257.736 2.826 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097546602 375568168 /nfs/dbraw/zinc/56/81/68/375568168.db2.gz REKWXBCQOTZUTI-CQSZACIVSA-N 1 1 298.789 2.970 50 0 CFAAMO C[N@H+](CCc1ccncc1)Cc1nc(-c2ccccc2)no1 ZINC000097717350 375580785 /nfs/dbraw/zinc/58/07/85/375580785.db2.gz UATOVUIFUUPNGF-UHFFFAOYSA-N 1 1 294.358 2.806 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1nc(-c2ccccc2)no1 ZINC000097717350 375580790 /nfs/dbraw/zinc/58/07/90/375580790.db2.gz UATOVUIFUUPNGF-UHFFFAOYSA-N 1 1 294.358 2.806 50 0 CFAAMO OCC[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000097730252 375582666 /nfs/dbraw/zinc/58/26/66/375582666.db2.gz RIHMXPXUADLEKO-HNNXBMFYSA-N 1 1 256.349 2.582 50 0 CFAAMO CCOC(C[N@@H+](C)Cc1ccc(F)cc1)OCC ZINC000098174926 375608986 /nfs/dbraw/zinc/60/89/86/375608986.db2.gz BEKKFJKUWCSZSO-UHFFFAOYSA-N 1 1 255.333 2.657 50 0 CFAAMO Cc1ccccc1-c1noc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)n1 ZINC000102641338 375686107 /nfs/dbraw/zinc/68/61/07/375686107.db2.gz WUCOCCPENHEVCW-WDNDVIMCSA-N 1 1 299.374 2.533 50 0 CFAAMO Cc1ccccc1-c1noc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)n1 ZINC000102641338 375686113 /nfs/dbraw/zinc/68/61/13/375686113.db2.gz WUCOCCPENHEVCW-WDNDVIMCSA-N 1 1 299.374 2.533 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000105934194 375794958 /nfs/dbraw/zinc/79/49/58/375794958.db2.gz RGQRAWRYHIBTIL-SOUVJXGZSA-N 1 1 266.429 2.755 50 0 CFAAMO CC(C)c1nnc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)o1 ZINC000132553349 377851356 /nfs/dbraw/zinc/85/13/56/377851356.db2.gz IYSGZUGTTSUCFJ-SNVBAGLBSA-N 1 1 267.373 2.629 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000136132777 378182376 /nfs/dbraw/zinc/18/23/76/378182376.db2.gz HJZHMKBHCYHNOF-LBPRGKRZSA-N 1 1 253.773 2.853 50 0 CFAAMO COC[C@@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000153618857 378500837 /nfs/dbraw/zinc/50/08/37/378500837.db2.gz QHUUURZGOLIYTC-GFCCVEGCSA-N 1 1 279.384 2.586 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000153618857 378500843 /nfs/dbraw/zinc/50/08/43/378500843.db2.gz QHUUURZGOLIYTC-GFCCVEGCSA-N 1 1 279.384 2.586 50 0 CFAAMO CC[C@H](NCC[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000157405791 378654151 /nfs/dbraw/zinc/65/41/51/378654151.db2.gz BSZAFSYOHRMJPC-INIZCTEOSA-N 1 1 278.444 2.725 50 0 CFAAMO CC[C@H]([NH2+]CCN(C)C1CCCCC1)c1cnn(C)c1 ZINC000157405791 378654155 /nfs/dbraw/zinc/65/41/55/378654155.db2.gz BSZAFSYOHRMJPC-INIZCTEOSA-N 1 1 278.444 2.725 50 0 CFAAMO CCn1c2ccc(C)cc2[nH+]c1NCc1cncn1C ZINC000159027428 378682023 /nfs/dbraw/zinc/68/20/23/378682023.db2.gz CUPSCAMJCKZNDC-UHFFFAOYSA-N 1 1 269.352 2.710 50 0 CFAAMO COC(=O)[C@H](c1ccccc1C)[N@H+](C)CC1CCOCC1 ZINC000163251464 378962532 /nfs/dbraw/zinc/96/25/32/378962532.db2.gz SPWXAVBXTNBYOH-INIZCTEOSA-N 1 1 291.391 2.568 50 0 CFAAMO COC(=O)[C@H](c1ccccc1C)[N@@H+](C)CC1CCOCC1 ZINC000163251464 378962539 /nfs/dbraw/zinc/96/25/39/378962539.db2.gz SPWXAVBXTNBYOH-INIZCTEOSA-N 1 1 291.391 2.568 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)CCCO1 ZINC000170766491 379151538 /nfs/dbraw/zinc/15/15/38/379151538.db2.gz GGLRKRBMFIWAMW-LLVKDONJSA-N 1 1 271.307 2.899 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)CCCO1 ZINC000170766491 379151543 /nfs/dbraw/zinc/15/15/43/379151543.db2.gz GGLRKRBMFIWAMW-LLVKDONJSA-N 1 1 271.307 2.899 50 0 CFAAMO COC(=O)CCC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175142242 380005547 /nfs/dbraw/zinc/00/55/47/380005547.db2.gz IYCPLUHDUOSDNQ-CQSZACIVSA-N 1 1 264.369 2.505 50 0 CFAAMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nccn1C ZINC000180414263 380655407 /nfs/dbraw/zinc/65/54/07/380655407.db2.gz BEUONARJECTSRQ-ZDUSSCGKSA-N 1 1 295.390 2.671 50 0 CFAAMO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000357089638 382004873 /nfs/dbraw/zinc/00/48/73/382004873.db2.gz SRNUZAFYWRUTCL-STQMWFEESA-N 1 1 252.402 2.508 50 0 CFAAMO Cc1ccc(CN2CC[N@H+](Cc3ccco3)CCC2=O)cc1 ZINC000299757910 382042408 /nfs/dbraw/zinc/04/24/08/382042408.db2.gz IICFDDFGDTXJNR-UHFFFAOYSA-N 1 1 298.386 2.823 50 0 CFAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccco3)CCC2=O)cc1 ZINC000299757910 382042416 /nfs/dbraw/zinc/04/24/16/382042416.db2.gz IICFDDFGDTXJNR-UHFFFAOYSA-N 1 1 298.386 2.823 50 0 CFAAMO CC(C)[N@H+]1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299768796 382043769 /nfs/dbraw/zinc/04/37/69/382043769.db2.gz KOFWCMTVMFXCRH-GOSISDBHSA-N 1 1 298.386 2.766 50 0 CFAAMO CC[C@H](NC(=O)CCn1cc[nH+]c1C)c1cc(C)ccn1 ZINC000299797454 382050039 /nfs/dbraw/zinc/05/00/39/382050039.db2.gz ARURXXCDXABQFL-AWEZNQCLSA-N 1 1 286.379 2.553 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)s1 ZINC000188402429 382407989 /nfs/dbraw/zinc/40/79/89/382407989.db2.gz XGTFTGDVLAOFBS-ZDUSSCGKSA-N 1 1 261.394 2.918 50 0 CFAAMO Cc1ccsc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188409379 382409808 /nfs/dbraw/zinc/40/98/08/382409808.db2.gz AOLIHXBLYQZVGF-CYBMUJFWSA-N 1 1 261.394 2.918 50 0 CFAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC=CC1 ZINC000193797996 382725952 /nfs/dbraw/zinc/72/59/52/382725952.db2.gz KNKKONAIGWZHEL-MRXNPFEDSA-N 1 1 284.403 2.591 50 0 CFAAMO COc1ccnc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000195559724 382769655 /nfs/dbraw/zinc/76/96/55/382769655.db2.gz SSUXUIVDOYZOHH-LBPRGKRZSA-N 1 1 299.374 2.899 50 0 CFAAMO OC[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccco1 ZINC000195546047 382769826 /nfs/dbraw/zinc/76/98/26/382769826.db2.gz PKZZMWUEXSTBLZ-GFCCVEGCSA-N 1 1 269.703 2.895 50 0 CFAAMO C[N@H+]1CC[C@H]2CN(Cc3c(F)ccc(Cl)c3F)C[C@H]21 ZINC000215073439 382777456 /nfs/dbraw/zinc/77/74/56/382777456.db2.gz OTCCBFIWAARFML-TVQRCGJNSA-N 1 1 286.753 2.754 50 0 CFAAMO C[N@@H+](CC(c1ccccc1)c1ccccc1)[C@H]1COC[C@@H]1O ZINC000215153291 382777886 /nfs/dbraw/zinc/77/78/86/382777886.db2.gz DPEFWCZJEJDSEF-OALUTQOASA-N 1 1 297.398 2.510 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cc(-c3ccccc3)no1)C2 ZINC000215693216 382780146 /nfs/dbraw/zinc/78/01/46/382780146.db2.gz JPNUEBDLWXGHIX-GOEBONIOSA-N 1 1 297.402 2.868 50 0 CFAAMO Cn1cc(CC[N@@H+](C)Cc2cccc(Cl)c2)cn1 ZINC000215674917 382780444 /nfs/dbraw/zinc/78/04/44/382780444.db2.gz JKVFAOXEEKLOGN-UHFFFAOYSA-N 1 1 263.772 2.748 50 0 CFAAMO Cc1cc(C)n(CC[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000215866158 382780724 /nfs/dbraw/zinc/78/07/24/382780724.db2.gz VJKFEAJKOUPEBT-UHFFFAOYSA-N 1 1 289.427 2.653 50 0 CFAAMO Cc1cc(C)n(CC[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000215866158 382780727 /nfs/dbraw/zinc/78/07/27/382780727.db2.gz VJKFEAJKOUPEBT-UHFFFAOYSA-N 1 1 289.427 2.653 50 0 CFAAMO C[C@]1(C(N)=O)CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000216179885 382781885 /nfs/dbraw/zinc/78/18/85/382781885.db2.gz JNFQBCNPRBZVSE-INIZCTEOSA-N 1 1 288.416 2.989 50 0 CFAAMO C[N@H+](Cc1ccc2cc(O)ccc2c1)Cc1cnccn1 ZINC000216185598 382782008 /nfs/dbraw/zinc/78/20/08/382782008.db2.gz MXNXVKZROKBTGR-UHFFFAOYSA-N 1 1 279.343 2.967 50 0 CFAAMO C[N@@H+](Cc1ccc2cc(O)ccc2c1)Cc1cnccn1 ZINC000216185598 382782010 /nfs/dbraw/zinc/78/20/10/382782010.db2.gz MXNXVKZROKBTGR-UHFFFAOYSA-N 1 1 279.343 2.967 50 0 CFAAMO COc1cc(F)c(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c(F)c1 ZINC000216166796 382782042 /nfs/dbraw/zinc/78/20/42/382782042.db2.gz PJPIIBOCQZTLLU-LLVKDONJSA-N 1 1 299.361 2.956 50 0 CFAAMO COc1cc(F)c(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)c(F)c1 ZINC000216166796 382782044 /nfs/dbraw/zinc/78/20/44/382782044.db2.gz PJPIIBOCQZTLLU-LLVKDONJSA-N 1 1 299.361 2.956 50 0 CFAAMO COc1cc(C[N@@H+](C)CCCn2cccn2)ccc1F ZINC000216247685 382782513 /nfs/dbraw/zinc/78/25/13/382782513.db2.gz YQICSSAXOLQKAL-UHFFFAOYSA-N 1 1 277.343 2.553 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000216490686 382783488 /nfs/dbraw/zinc/78/34/88/382783488.db2.gz DMQIRXINCQEWNH-AWEZNQCLSA-N 1 1 299.374 2.781 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000216490686 382783490 /nfs/dbraw/zinc/78/34/90/382783490.db2.gz DMQIRXINCQEWNH-AWEZNQCLSA-N 1 1 299.374 2.781 50 0 CFAAMO COc1ccc(F)c(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000216528085 382784020 /nfs/dbraw/zinc/78/40/20/382784020.db2.gz NRNSFENJVMJVIA-AWEZNQCLSA-N 1 1 267.344 2.835 50 0 CFAAMO COc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000216528085 382784022 /nfs/dbraw/zinc/78/40/22/382784022.db2.gz NRNSFENJVMJVIA-AWEZNQCLSA-N 1 1 267.344 2.835 50 0 CFAAMO CSc1ccc(C(=O)N(C)C[C@]2(C)CC[N@@H+](C)C2)cc1 ZINC000218813042 382790972 /nfs/dbraw/zinc/79/09/72/382790972.db2.gz VPRCTMUGZSNBHB-MRXNPFEDSA-N 1 1 292.448 2.822 50 0 CFAAMO CCO[C@H](C)C[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000220301117 382795954 /nfs/dbraw/zinc/79/59/54/382795954.db2.gz DPEFLRSZANNBAW-LLVKDONJSA-N 1 1 263.341 2.527 50 0 CFAAMO C[C@@H]1CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC000221673842 382798604 /nfs/dbraw/zinc/79/86/04/382798604.db2.gz DQHSJIVPVKQOSD-OLZOCXBDSA-N 1 1 270.417 2.879 50 0 CFAAMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)CCOC(C)C ZINC000221933886 382800390 /nfs/dbraw/zinc/80/03/90/382800390.db2.gz VZECPGIGXOOZLN-CABCVRRESA-N 1 1 257.418 2.817 50 0 CFAAMO Cc1csc2c1ncnc2N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000225456236 382816308 /nfs/dbraw/zinc/81/63/08/382816308.db2.gz QQCPETAXBOJKML-VXGBXAGGSA-N 1 1 288.420 2.673 50 0 CFAAMO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H](O)C2)o1 ZINC000225533238 382817729 /nfs/dbraw/zinc/81/77/29/382817729.db2.gz ICXQADLZAYYOHR-GFCCVEGCSA-N 1 1 275.323 2.961 50 0 CFAAMO O[C@H](C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000229238941 382851081 /nfs/dbraw/zinc/85/10/81/382851081.db2.gz CQBXLOKIOYENSS-ARFHVFGLSA-N 1 1 297.345 2.642 50 0 CFAAMO O[C@H](C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000229238941 382851083 /nfs/dbraw/zinc/85/10/83/382851083.db2.gz CQBXLOKIOYENSS-ARFHVFGLSA-N 1 1 297.345 2.642 50 0 CFAAMO Cc1cccc(C2(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000229394943 382851528 /nfs/dbraw/zinc/85/15/28/382851528.db2.gz YBMDOAUFRURFGB-SJORKVTESA-N 1 1 298.430 2.770 50 0 CFAAMO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720410 382853063 /nfs/dbraw/zinc/85/30/63/382853063.db2.gz RJOTVPACHXASPL-NVXWUHKLSA-N 1 1 286.419 2.877 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000229751575 382853493 /nfs/dbraw/zinc/85/34/93/382853493.db2.gz KVYPFDJVFYUQRY-MLGOLLRUSA-N 1 1 274.339 2.737 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000229751575 382853495 /nfs/dbraw/zinc/85/34/95/382853495.db2.gz KVYPFDJVFYUQRY-MLGOLLRUSA-N 1 1 274.339 2.737 50 0 CFAAMO COCc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000230126794 382855888 /nfs/dbraw/zinc/85/58/88/382855888.db2.gz BYCWYPMBQKYTDI-CVEARBPZSA-N 1 1 293.432 2.539 50 0 CFAAMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CC1CC1)CC2 ZINC000230140016 382855909 /nfs/dbraw/zinc/85/59/09/382855909.db2.gz AKUJRRWQNRCOKQ-BMFZPTHFSA-N 1 1 293.455 2.832 50 0 CFAAMO Cc1ccc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000240825132 382982539 /nfs/dbraw/zinc/98/25/39/382982539.db2.gz QNCYXCKLHKLZIM-QGZVFWFLSA-N 1 1 287.451 2.601 50 0 CFAAMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCn2ccnc2)c1 ZINC000241316690 382983692 /nfs/dbraw/zinc/98/36/92/382983692.db2.gz LUBNCXLQDUSJGG-PBHICJAKSA-N 1 1 285.391 2.975 50 0 CFAAMO C[N@H+](Cc1cncn1C1CC1)Cc1ccc2nsnc2c1 ZINC000244651997 382989635 /nfs/dbraw/zinc/98/96/35/382989635.db2.gz GXXVQSJYFUIBII-UHFFFAOYSA-N 1 1 299.403 2.855 50 0 CFAAMO C[N@@H+](Cc1cncn1C1CC1)Cc1ccc2nsnc2c1 ZINC000244651997 382989639 /nfs/dbraw/zinc/98/96/39/382989639.db2.gz GXXVQSJYFUIBII-UHFFFAOYSA-N 1 1 299.403 2.855 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc2nsnc2c1 ZINC000244574739 382989681 /nfs/dbraw/zinc/98/96/81/382989681.db2.gz CQNAXTQFYDQEJC-ZDUSSCGKSA-N 1 1 290.436 2.607 50 0 CFAAMO COc1ccc2c(c1)[C@H](C)[N@H+](CCn1nccc1C)CC2 ZINC000244673867 382989880 /nfs/dbraw/zinc/98/98/80/382989880.db2.gz HXAYEJLKDOATQH-AWEZNQCLSA-N 1 1 285.391 2.819 50 0 CFAAMO CCOc1ccc([C@@H](C)[N@@H+](C)CCN2CCCC2=O)cc1 ZINC000244678945 382989944 /nfs/dbraw/zinc/98/99/44/382989944.db2.gz IMVXEYWGGMEICE-CQSZACIVSA-N 1 1 290.407 2.701 50 0 CFAAMO COc1ccccc1OCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000244691848 382991132 /nfs/dbraw/zinc/99/11/32/382991132.db2.gz JKAJZAKJRFQJLP-AWEZNQCLSA-N 1 1 279.380 2.575 50 0 CFAAMO CC(C)c1nnsc1C[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000244873174 382994419 /nfs/dbraw/zinc/99/44/19/382994419.db2.gz WLFOMWXUXISCIW-NSHDSACASA-N 1 1 291.424 2.515 50 0 CFAAMO CC(C)c1nnsc1C[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000244873174 382994421 /nfs/dbraw/zinc/99/44/21/382994421.db2.gz WLFOMWXUXISCIW-NSHDSACASA-N 1 1 291.424 2.515 50 0 CFAAMO C[C@H]1C[C@H](NCc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118625 383114768 /nfs/dbraw/zinc/11/47/68/383114768.db2.gz WCFJVJDFJXUAKJ-DZGCQCFKSA-N 1 1 271.408 2.751 50 0 CFAAMO C[C@H]1C[C@H](NCc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118625 383114772 /nfs/dbraw/zinc/11/47/72/383114772.db2.gz WCFJVJDFJXUAKJ-DZGCQCFKSA-N 1 1 271.408 2.751 50 0 CFAAMO C[C@H](CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)n1cccc1 ZINC000248101017 383210757 /nfs/dbraw/zinc/21/07/57/383210757.db2.gz DWKVCBYVJXQVEZ-OAGGEKHMSA-N 1 1 289.423 2.524 50 0 CFAAMO C[N@@H+]1CCN(Cc2cscn2)[C@@H](c2ccccc2)C1 ZINC000248411445 383237911 /nfs/dbraw/zinc/23/79/11/383237911.db2.gz ZFKZYMPLURVIDK-OAHLLOKOSA-N 1 1 273.405 2.632 50 0 CFAAMO C[N@H+]1CCN(Cc2cscn2)[C@@H](c2ccccc2)C1 ZINC000248411445 383237914 /nfs/dbraw/zinc/23/79/14/383237914.db2.gz ZFKZYMPLURVIDK-OAHLLOKOSA-N 1 1 273.405 2.632 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000248450377 383245009 /nfs/dbraw/zinc/24/50/09/383245009.db2.gz FOYAKIPCQDYRNE-MCIONIFRSA-N 1 1 262.401 2.778 50 0 CFAAMO c1cc([C@@H]2CCC[N@H+](CCn3cnc4ccccc43)C2)n[nH]1 ZINC000252505375 383415530 /nfs/dbraw/zinc/41/55/30/383415530.db2.gz VQOAZHBTSIFAKT-CQSZACIVSA-N 1 1 295.390 2.639 50 0 CFAAMO c1cc([C@@H]2CCC[N@@H+](CCn3cnc4ccccc43)C2)[nH]n1 ZINC000252505375 383415534 /nfs/dbraw/zinc/41/55/34/383415534.db2.gz VQOAZHBTSIFAKT-CQSZACIVSA-N 1 1 295.390 2.639 50 0 CFAAMO c1cc([C@@H]2CCC[N@H+](CCn3cnc4ccccc43)C2)[nH]n1 ZINC000252505375 383415540 /nfs/dbraw/zinc/41/55/40/383415540.db2.gz VQOAZHBTSIFAKT-CQSZACIVSA-N 1 1 295.390 2.639 50 0 CFAAMO CC1(C)CN(c2cc[nH+]c(N)n2)C[C@@H]1c1ccccc1 ZINC000426433662 383399888 /nfs/dbraw/zinc/39/98/88/383399888.db2.gz OEJVYGGIBVIGKN-CYBMUJFWSA-N 1 1 268.364 2.519 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1cc2cc(F)ccc2o1 ZINC000426550664 383405204 /nfs/dbraw/zinc/40/52/04/383405204.db2.gz RFXITIOTPPQMAT-ZDUSSCGKSA-N 1 1 290.338 2.786 50 0 CFAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCCCOC1CCCCC1 ZINC000426635497 383407553 /nfs/dbraw/zinc/40/75/53/383407553.db2.gz PSXQWSGIEVEQEK-ZDUSSCGKSA-N 1 1 293.411 2.608 50 0 CFAAMO C[N@H+]1CCC[C@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000252479593 383411643 /nfs/dbraw/zinc/41/16/43/383411643.db2.gz BIFBNVQUPKGZFM-INIZCTEOSA-N 1 1 293.842 2.556 50 0 CFAAMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCSC(C)(C)C)[C@H]2C1 ZINC000252489474 383412661 /nfs/dbraw/zinc/41/26/61/383412661.db2.gz JRTAWNCELQBPRA-HZSPNIEDSA-N 1 1 287.469 2.786 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCCC1 ZINC000249695530 383356860 /nfs/dbraw/zinc/35/68/60/383356860.db2.gz QWYOTPGLUBJPNG-LSDHHAIUSA-N 1 1 264.413 2.652 50 0 CFAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC[C@H]1CCCCO1 ZINC000253370079 383452164 /nfs/dbraw/zinc/45/21/64/383452164.db2.gz LSXAPBLFLRGLLG-FZKCQIBNSA-N 1 1 295.423 2.752 50 0 CFAAMO CCn1nccc1CC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000253419802 383457531 /nfs/dbraw/zinc/45/75/31/383457531.db2.gz CXAOHTOHMZDYMS-CABCVRRESA-N 1 1 279.453 2.806 50 0 CFAAMO OC[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccnc1 ZINC000253428618 383458568 /nfs/dbraw/zinc/45/85/68/383458568.db2.gz KAVGQLVWJMSYEY-SFHVURJKSA-N 1 1 282.387 2.651 50 0 CFAAMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000253471642 383461230 /nfs/dbraw/zinc/46/12/30/383461230.db2.gz WQEACRKNPKAUDS-HRCADAONSA-N 1 1 272.392 2.679 50 0 CFAAMO CCC[N@@H+](Cc1[nH]cc(C)c(=O)c1C)[C@@H]1CCCC[C@H]1O ZINC000253536566 383461884 /nfs/dbraw/zinc/46/18/84/383461884.db2.gz VZIJQCDZECNMKI-HZPDHXFCSA-N 1 1 292.423 2.920 50 0 CFAAMO C[C@H](C[S@](C)=O)[N@@H+](C)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252549038 383419834 /nfs/dbraw/zinc/41/98/34/383419834.db2.gz QQBHOFARDQATET-UYLUIQCMSA-N 1 1 285.375 2.806 50 0 CFAAMO CC(=O)N1CCC[C@@H]1CCc1[nH+]cc(C)n1C(C)C ZINC000257195905 383492820 /nfs/dbraw/zinc/49/28/20/383492820.db2.gz XBSLZRSPHAVWJO-CQSZACIVSA-N 1 1 263.385 2.716 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2CC)C1 ZINC000280789289 385154417 /nfs/dbraw/zinc/15/44/17/385154417.db2.gz OQIVLRRMGUKFLF-MGPQQGTHSA-N 1 1 290.411 2.591 50 0 CFAAMO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(C(C)C)nc2C)n[nH]1 ZINC000281284606 195181443 /nfs/dbraw/zinc/18/14/43/195181443.db2.gz IFCBADSEOCRDBY-LLVKDONJSA-N 1 1 275.400 2.525 50 0 CFAAMO OCCC[C@@H]1CCC[N@H+]1CCOC1CCCCCC1 ZINC000096420047 256761138 /nfs/dbraw/zinc/76/11/38/256761138.db2.gz PRGTYJZEZAIRDW-HNNXBMFYSA-N 1 1 269.429 2.963 50 0 CFAAMO Cc1cccc(OC[C@H](O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000051404532 256876844 /nfs/dbraw/zinc/87/68/44/256876844.db2.gz CVZJNEOLZPGNGH-GOSISDBHSA-N 1 1 299.414 2.909 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(CCCc2cccnc2)C1 ZINC000243885598 131083286 /nfs/dbraw/zinc/08/32/86/131083286.db2.gz AATLNKPWDJNZCC-HNNXBMFYSA-N 1 1 273.424 2.573 50 0 CFAAMO CCS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000245289559 131084506 /nfs/dbraw/zinc/08/45/06/131084506.db2.gz CQWJGGKLELRFRO-DOMZBBRYSA-N 1 1 299.411 2.643 50 0 CFAAMO CCS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000245289559 131084507 /nfs/dbraw/zinc/08/45/07/131084507.db2.gz CQWJGGKLELRFRO-DOMZBBRYSA-N 1 1 299.411 2.643 50 0 CFAAMO CCC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012574225 393475727 /nfs/dbraw/zinc/47/57/27/393475727.db2.gz YEMTTZPXBYSFAR-CYBMUJFWSA-N 1 1 252.402 2.700 50 0 CFAAMO Cc1ccnc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000032593137 393514268 /nfs/dbraw/zinc/51/42/68/393514268.db2.gz AAAMTSWYSMQRJO-INIZCTEOSA-N 1 1 282.391 2.719 50 0 CFAAMO C(C1CCC2(CC1)OCCO2)[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000190191366 393579013 /nfs/dbraw/zinc/57/90/13/393579013.db2.gz KUKWPYSPMSHOFF-HOTGVXAUSA-N 1 1 295.423 2.563 50 0 CFAAMO CC1(C)C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000075701426 393676840 /nfs/dbraw/zinc/67/68/40/393676840.db2.gz BYBCZYGEFATJSF-UHFFFAOYSA-N 1 1 256.349 2.846 50 0 CFAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccccn1 ZINC000055182735 393620176 /nfs/dbraw/zinc/62/01/76/393620176.db2.gz LQDQRWHDWHUQSY-OAHLLOKOSA-N 1 1 276.405 2.916 50 0 CFAAMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072154334 393642709 /nfs/dbraw/zinc/64/27/09/393642709.db2.gz IDMXCFNTMUZMOZ-HNNXBMFYSA-N 1 1 292.398 2.559 50 0 CFAAMO C[C@H]1CCC[C@@H]1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000222488234 393763308 /nfs/dbraw/zinc/76/33/08/393763308.db2.gz YNHPVKYUSWWEAF-QRJUGERDSA-N 1 1 269.429 2.530 50 0 CFAAMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(F)c1 ZINC000090227697 393777146 /nfs/dbraw/zinc/77/71/46/393777146.db2.gz FZEHNCPVZNEIKH-YGRLFVJLSA-N 1 1 274.343 2.911 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000239275010 393796962 /nfs/dbraw/zinc/79/69/62/393796962.db2.gz BBMNTDYLHOUHAS-HIFRSBDPSA-N 1 1 286.375 2.583 50 0 CFAAMO Fc1cccc(F)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820758 393804557 /nfs/dbraw/zinc/80/45/57/393804557.db2.gz NLLHEIQIMWKRFH-CQSZACIVSA-N 1 1 253.292 2.577 50 0 CFAAMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccon3)c2C1 ZINC000095979258 393813909 /nfs/dbraw/zinc/81/39/09/393813909.db2.gz YRAVESLDXHOOIA-UHFFFAOYSA-N 1 1 285.347 2.899 50 0 CFAAMO C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@H]1n1ccnc1 ZINC000245592636 393818785 /nfs/dbraw/zinc/81/87/85/393818785.db2.gz KXUQRNXNKQXREX-GDBMZVCRSA-N 1 1 295.390 2.614 50 0 CFAAMO OCCCCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000096417903 393826040 /nfs/dbraw/zinc/82/60/40/393826040.db2.gz RZIDPCWHNHKHSF-UHFFFAOYSA-N 1 1 253.773 2.861 50 0 CFAAMO O[C@H](C[N@@H+](C[C@@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000096424440 393829775 /nfs/dbraw/zinc/82/97/75/393829775.db2.gz SDVBRRUTFLVHJS-JKSUJKDBSA-N 1 1 279.355 2.503 50 0 CFAAMO C[N@@H+](CCCc1ccco1)CC1(CO)CCCC1 ZINC000252509863 393936859 /nfs/dbraw/zinc/93/68/59/393936859.db2.gz YXCXPYDIYJLAGP-UHFFFAOYSA-N 1 1 251.370 2.697 50 0 CFAAMO c1ccc(N2CCC[N@H+](CC[C@@H]3CCOC3)CC2)cc1 ZINC000437686642 394068682 /nfs/dbraw/zinc/06/86/82/394068682.db2.gz MUZALGORWIAPIX-MRXNPFEDSA-N 1 1 274.408 2.625 50 0 CFAAMO O=C1C[C@@H](CNc2[nH+]ccc3ccccc32)CN1C1CC1 ZINC000527951955 394431055 /nfs/dbraw/zinc/43/10/55/394431055.db2.gz HCJFZBBPAIKJLX-LBPRGKRZSA-N 1 1 281.359 2.658 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1ccccc1 ZINC000046859049 397582794 /nfs/dbraw/zinc/58/27/94/397582794.db2.gz HXCVEZBIHDIILG-NKSUMMKUSA-N 1 1 272.392 2.690 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1nnc(-c2ccccc2)o1 ZINC000069413704 287049445 /nfs/dbraw/zinc/04/94/45/287049445.db2.gz TZCXVTAFEBBOPB-QWHCGFSZSA-N 1 1 297.362 2.672 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000004729411 170007319 /nfs/dbraw/zinc/00/73/19/170007319.db2.gz RMVNPEWAEINXLO-ZNMIVQPWSA-N 1 1 263.381 2.689 50 0 CFAAMO CC(C)c1ccc(NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000004788295 170017547 /nfs/dbraw/zinc/01/75/47/170017547.db2.gz NATQXTARNZDMBD-UHFFFAOYSA-N 1 1 261.369 2.589 50 0 CFAAMO Cc1ccccc1C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005010325 170055021 /nfs/dbraw/zinc/05/50/21/170055021.db2.gz FHPXTEACSVCASQ-WBVHZDCISA-N 1 1 294.398 2.776 50 0 CFAAMO CC[NH+]1CCN(C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000005041668 170059822 /nfs/dbraw/zinc/05/98/22/170059822.db2.gz YHODDEASPOPINL-UHFFFAOYSA-N 1 1 297.855 2.983 50 0 CFAAMO CCOC(=O)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000005325977 170085859 /nfs/dbraw/zinc/08/58/59/170085859.db2.gz SBLOJVMHVGRPPA-OAHLLOKOSA-N 1 1 261.365 2.647 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000005346263 170088420 /nfs/dbraw/zinc/08/84/20/170088420.db2.gz SZSKDUNETSHZNC-CYBMUJFWSA-N 1 1 289.354 2.521 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)c2ccccc2Br)C1 ZINC000005445313 170099956 /nfs/dbraw/zinc/09/99/56/170099956.db2.gz MTBWTESSKIGQPL-SNVBAGLBSA-N 1 1 298.180 2.700 50 0 CFAAMO COc1ccc(C[N@H+](C)Cn2c3ccccc3oc2=O)cc1 ZINC000006209143 170182954 /nfs/dbraw/zinc/18/29/54/170182954.db2.gz NGLSSRSKDZRRTP-UHFFFAOYSA-N 1 1 298.342 2.693 50 0 CFAAMO COc1ccc(C[N@@H+](C)Cn2c3ccccc3oc2=O)cc1 ZINC000006209143 170182955 /nfs/dbraw/zinc/18/29/55/170182955.db2.gz NGLSSRSKDZRRTP-UHFFFAOYSA-N 1 1 298.342 2.693 50 0 CFAAMO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000006542579 170211895 /nfs/dbraw/zinc/21/18/95/170211895.db2.gz IKHULFXUWHRKKX-HNNXBMFYSA-N 1 1 294.398 2.750 50 0 CFAAMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000006542579 170211896 /nfs/dbraw/zinc/21/18/96/170211896.db2.gz IKHULFXUWHRKKX-HNNXBMFYSA-N 1 1 294.398 2.750 50 0 CFAAMO c1c(C[N@@H+]2CCc3ccccc3C2)nc2ccccn12 ZINC000007048800 170264319 /nfs/dbraw/zinc/26/43/19/170264319.db2.gz LARXTBLGFKYDOJ-UHFFFAOYSA-N 1 1 263.344 2.893 50 0 CFAAMO c1c(C[N@H+]2CCc3ccccc3C2)nc2ccccn12 ZINC000007048800 170264322 /nfs/dbraw/zinc/26/43/22/170264322.db2.gz LARXTBLGFKYDOJ-UHFFFAOYSA-N 1 1 263.344 2.893 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)c(F)c1 ZINC000007486663 170287318 /nfs/dbraw/zinc/28/73/18/170287318.db2.gz RQVVQMIDEBSEDT-GFCCVEGCSA-N 1 1 264.344 2.947 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC000007486663 170287319 /nfs/dbraw/zinc/28/73/19/170287319.db2.gz RQVVQMIDEBSEDT-GFCCVEGCSA-N 1 1 264.344 2.947 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)no1 ZINC000007587546 170292017 /nfs/dbraw/zinc/29/20/17/170292017.db2.gz GCZRYGRNJSGZAR-STQMWFEESA-N 1 1 277.368 2.576 50 0 CFAAMO Cc1cccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000007782745 170302456 /nfs/dbraw/zinc/30/24/56/170302456.db2.gz PMWBJPNMKPCRGK-UHFFFAOYSA-N 1 1 280.371 2.992 50 0 CFAAMO Cc1cccc(NC(=O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000007782745 170302457 /nfs/dbraw/zinc/30/24/57/170302457.db2.gz PMWBJPNMKPCRGK-UHFFFAOYSA-N 1 1 280.371 2.992 50 0 CFAAMO C[C@H]1CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000007787646 170303390 /nfs/dbraw/zinc/30/33/90/170303390.db2.gz JJNBIVGIPGQULH-JTQLQIEISA-N 1 1 268.307 2.635 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000007787646 170303391 /nfs/dbraw/zinc/30/33/91/170303391.db2.gz JJNBIVGIPGQULH-JTQLQIEISA-N 1 1 268.307 2.635 50 0 CFAAMO Cc1ccc(-c2cc(NC(=O)C[NH+]3CCCC3)on2)cc1 ZINC000009478949 170377934 /nfs/dbraw/zinc/37/79/34/170377934.db2.gz GRQONKWNDIYCGA-UHFFFAOYSA-N 1 1 285.347 2.684 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)NCc1ccco1 ZINC000010087400 170397338 /nfs/dbraw/zinc/39/73/38/170397338.db2.gz KOOLQXKNNSSDMO-MRXNPFEDSA-N 1 1 284.359 2.733 50 0 CFAAMO COc1ccc(OC)c(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1 ZINC000020201650 171065973 /nfs/dbraw/zinc/06/59/73/171065973.db2.gz NVGWHDVYONIDSL-OAHLLOKOSA-N 1 1 294.439 2.770 50 0 CFAAMO CC[C@@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CC[N@H+]1C ZINC000020256015 171110407 /nfs/dbraw/zinc/11/04/07/171110407.db2.gz XSDSFBQKBOUZOH-MRXNPFEDSA-N 1 1 284.407 2.603 50 0 CFAAMO CC[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CC[N@@H+]1C ZINC000020256015 171110409 /nfs/dbraw/zinc/11/04/09/171110409.db2.gz XSDSFBQKBOUZOH-MRXNPFEDSA-N 1 1 284.407 2.603 50 0 CFAAMO CC[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CC[N@H+]1C ZINC000020256015 171110411 /nfs/dbraw/zinc/11/04/11/171110411.db2.gz XSDSFBQKBOUZOH-MRXNPFEDSA-N 1 1 284.407 2.603 50 0 CFAAMO Cc1nc[nH]c1CN[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000020920714 171280044 /nfs/dbraw/zinc/28/00/44/171280044.db2.gz KFZOIRWSZBUNCG-INIZCTEOSA-N 1 1 290.455 2.852 50 0 CFAAMO Cc1nc[nH]c1C[NH2+][C@H]1CCCN(CC2CCCCC2)C1 ZINC000020920714 171280046 /nfs/dbraw/zinc/28/00/46/171280046.db2.gz KFZOIRWSZBUNCG-INIZCTEOSA-N 1 1 290.455 2.852 50 0 CFAAMO Cc1cccnc1-c1noc([C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000020994543 171283831 /nfs/dbraw/zinc/28/38/31/171283831.db2.gz HSYPJDHYGYTMRJ-LBPRGKRZSA-N 1 1 272.352 2.638 50 0 CFAAMO C[N@@H+](CCCc1nc2ccccc2[nH]1)C1CCOCC1 ZINC000020999435 171284058 /nfs/dbraw/zinc/28/40/58/171284058.db2.gz SLZPTEGODWTBMH-UHFFFAOYSA-N 1 1 273.380 2.606 50 0 CFAAMO CC[C@H](C)[C@@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000035532321 172243369 /nfs/dbraw/zinc/24/33/69/172243369.db2.gz JASTXYIDBLQRNL-QPUJVOFHSA-N 1 1 275.308 2.511 50 0 CFAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000039985771 174181947 /nfs/dbraw/zinc/18/19/47/174181947.db2.gz JJJUDRLGHFPFEI-UHFFFAOYSA-N 1 1 298.386 2.605 50 0 CFAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000039985771 174181949 /nfs/dbraw/zinc/18/19/49/174181949.db2.gz JJJUDRLGHFPFEI-UHFFFAOYSA-N 1 1 298.386 2.605 50 0 CFAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000040460338 174270324 /nfs/dbraw/zinc/27/03/24/174270324.db2.gz OXIGSUOESNIEFY-OLZOCXBDSA-N 1 1 278.400 2.523 50 0 CFAAMO Cc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000040525316 174313334 /nfs/dbraw/zinc/31/33/34/174313334.db2.gz IFMIUNJLUCPAJR-CYBMUJFWSA-N 1 1 273.380 2.601 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2F)C1 ZINC000040690869 174377293 /nfs/dbraw/zinc/37/72/93/174377293.db2.gz KPKYLJGCJDJAMR-NSHDSACASA-N 1 1 298.789 2.939 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2F)C1 ZINC000040690868 174377372 /nfs/dbraw/zinc/37/73/72/174377372.db2.gz KPKYLJGCJDJAMR-LLVKDONJSA-N 1 1 298.789 2.939 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044711943 175235699 /nfs/dbraw/zinc/23/56/99/175235699.db2.gz COLXRMGKEGDIFK-WCQYABFASA-N 1 1 261.369 2.959 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044711943 175235700 /nfs/dbraw/zinc/23/57/00/175235700.db2.gz COLXRMGKEGDIFK-WCQYABFASA-N 1 1 261.369 2.959 50 0 CFAAMO CCOc1ccc(-c2noc(C[NH+]3CCCC3)n2)cc1 ZINC000044870986 175268733 /nfs/dbraw/zinc/26/87/33/175268733.db2.gz ZPGNPRBSJJLWCM-UHFFFAOYSA-N 1 1 273.336 2.731 50 0 CFAAMO COC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000044910516 175275481 /nfs/dbraw/zinc/27/54/81/175275481.db2.gz TWVMVHAUCVCUDX-JTQLQIEISA-N 1 1 293.392 2.970 50 0 CFAAMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000195560420 287307760 /nfs/dbraw/zinc/30/77/60/287307760.db2.gz VQPBCXLSNVDNAQ-CABCVRRESA-N 1 1 267.413 2.694 50 0 CFAAMO C[C@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)O1 ZINC000069414150 175827213 /nfs/dbraw/zinc/82/72/13/175827213.db2.gz ZZODWSXVJAQKPB-SWLSCSKDSA-N 1 1 259.349 2.570 50 0 CFAAMO Cn1nccc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000071808722 176267890 /nfs/dbraw/zinc/26/78/90/176267890.db2.gz YPTOLZBXDPVYKK-MRXNPFEDSA-N 1 1 269.392 2.842 50 0 CFAAMO C[N@H+]1CCC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000071820723 176270900 /nfs/dbraw/zinc/27/09/00/176270900.db2.gz BYTGHAZGBMLKOI-CQSZACIVSA-N 1 1 292.810 2.582 50 0 CFAAMO Cn1c(Cl)cnc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000071824828 176271843 /nfs/dbraw/zinc/27/18/43/176271843.db2.gz QJXZYKDJJFYYJF-UHFFFAOYSA-N 1 1 275.783 2.673 50 0 CFAAMO Cn1c(Cl)cnc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000071824828 176271845 /nfs/dbraw/zinc/27/18/45/176271845.db2.gz QJXZYKDJJFYYJF-UHFFFAOYSA-N 1 1 275.783 2.673 50 0 CFAAMO CCCCCC[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000071920939 176300319 /nfs/dbraw/zinc/30/03/19/176300319.db2.gz NKQUEMYFEUVMIT-UHFFFAOYSA-N 1 1 254.418 2.757 50 0 CFAAMO COc1ccccc1/C=C/CNC1CC[NH+](C2CC2)CC1 ZINC000071924521 176301449 /nfs/dbraw/zinc/30/14/49/176301449.db2.gz KDTBACOUBVDNLT-GQCTYLIASA-N 1 1 286.419 2.925 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000072119118 176319683 /nfs/dbraw/zinc/31/96/83/176319683.db2.gz HZVMIXRJCGSBSC-UHFFFAOYSA-N 1 1 283.375 2.987 50 0 CFAAMO Fc1ccc(N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000072139048 176323045 /nfs/dbraw/zinc/32/30/45/176323045.db2.gz PDSYKGZMXDTJNF-UHFFFAOYSA-N 1 1 285.366 2.933 50 0 CFAAMO CC[C@H]1CN(Cc2cnn(C)c2C2CC2)CC[N@H+]1C(C)C ZINC000072168541 176332228 /nfs/dbraw/zinc/33/22/28/176332228.db2.gz MNCGUEXDKWRMKO-INIZCTEOSA-N 1 1 290.455 2.602 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C)C2)C1 ZINC000072274364 176355726 /nfs/dbraw/zinc/35/57/26/176355726.db2.gz SYJUHBGPAAYFTM-CABCVRRESA-N 1 1 281.444 2.548 50 0 CFAAMO C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cnccn1 ZINC000072408901 176398275 /nfs/dbraw/zinc/39/82/75/176398275.db2.gz GWPUKOXSQXNINA-UHFFFAOYSA-N 1 1 299.418 2.812 50 0 CFAAMO C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cnccn1 ZINC000072408901 176398276 /nfs/dbraw/zinc/39/82/76/176398276.db2.gz GWPUKOXSQXNINA-UHFFFAOYSA-N 1 1 299.418 2.812 50 0 CFAAMO CC(C)c1nc(C[N@@H+](C)C[C@@H]2CCOC2)cs1 ZINC000077340242 177253820 /nfs/dbraw/zinc/25/38/20/177253820.db2.gz NMJMCXJXMCLJKR-NSHDSACASA-N 1 1 254.399 2.735 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(c2noc(-c3ccccc3)n2)C1 ZINC000077358720 177257196 /nfs/dbraw/zinc/25/71/96/177257196.db2.gz YPJZTXGINQNKNE-CYBMUJFWSA-N 1 1 298.390 2.800 50 0 CFAAMO C1C[N@H+](C2CSCCSC2)CC2(C1)CCOCC2 ZINC000827603719 782038322 /nfs/dbraw/zinc/03/83/22/782038322.db2.gz BYADLEQAANTTGU-UHFFFAOYSA-N 1 1 287.494 2.728 50 0 CFAAMO Clc1nc(N2CC[NH+](Cc3ccccc3)CC2)ns1 ZINC000091695824 274885476 /nfs/dbraw/zinc/88/54/76/274885476.db2.gz ORRTWWAKVGSKEO-UHFFFAOYSA-N 1 1 294.811 2.514 50 0 CFAAMO CC(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025460718 277332657 /nfs/dbraw/zinc/33/26/57/277332657.db2.gz YCISCJXJZALNCR-UHFFFAOYSA-N 1 1 274.408 2.596 50 0 CFAAMO COc1ccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000097085359 277864921 /nfs/dbraw/zinc/86/49/21/277864921.db2.gz KMEVIONQRRONRH-GFCCVEGCSA-N 1 1 296.330 2.672 50 0 CFAAMO CSCC[N@@H+](C)Cc1cc(C)ccc1-n1cccn1 ZINC000216333876 278129632 /nfs/dbraw/zinc/12/96/32/278129632.db2.gz QWHILYIXHSADTM-UHFFFAOYSA-N 1 1 275.421 2.976 50 0 CFAAMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)CC1(C)C ZINC000000097860 278222557 /nfs/dbraw/zinc/22/25/57/278222557.db2.gz PKHXKOWXJNZTIG-INIZCTEOSA-N 1 1 261.365 2.807 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000106077626 278332695 /nfs/dbraw/zinc/33/26/95/278332695.db2.gz QFJKRIBSYITRKW-CMPLNLGQSA-N 1 1 293.238 2.561 50 0 CFAAMO CC[C@H](C1N=NC(=S)N1c1ccccc1)[NH+](C)C ZINC000019229947 288172687 /nfs/dbraw/zinc/17/26/87/288172687.db2.gz BVVNCJCHPFPSFY-LLVKDONJSA-N 1 1 262.382 2.569 50 0 CFAAMO O=P([O-])(C[NH+]1CCCCCC1)C[NH+]1CCCCCC1 ZINC000002080287 280335035 /nfs/dbraw/zinc/33/50/35/280335035.db2.gz DNLLHMWOFVFBRZ-UHFFFAOYSA-N 1 1 288.372 2.924 50 0 CFAAMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCC3)[C@H](C)C2 ZINC000183858788 281121660 /nfs/dbraw/zinc/12/16/60/281121660.db2.gz UNFPNOWCARNBEW-FZKQIMNGSA-N 1 1 296.418 2.946 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1CCC1 ZINC000000052224 281127851 /nfs/dbraw/zinc/12/78/51/281127851.db2.gz AMXKHKZYEPHIKK-NVXWUHKLSA-N 1 1 284.403 2.929 50 0 CFAAMO Cc1ccc[nH+]c1NCCNC(=O)N1CCCCCCC1 ZINC000534585935 328315258 /nfs/dbraw/zinc/31/52/58/328315258.db2.gz VLTCUAXLGCRGMS-UHFFFAOYSA-N 1 1 290.411 2.778 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)c2ccc(O)c(F)c2)CCCC1 ZINC000534637698 328334334 /nfs/dbraw/zinc/33/43/34/328334334.db2.gz NEQIQMBRSHANRZ-UHFFFAOYSA-N 1 1 294.370 2.526 50 0 CFAAMO Cc1cccc2nc(C[NH2+][C@@H]3CCCSC3)[nH]c21 ZINC000534662394 328350382 /nfs/dbraw/zinc/35/03/82/328350382.db2.gz JXPRSYYTMOGCRD-LLVKDONJSA-N 1 1 261.394 2.857 50 0 CFAAMO Cn1cccc1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000097095404 323617396 /nfs/dbraw/zinc/61/73/96/323617396.db2.gz BGNKCEUUGPNRJP-ZDUSSCGKSA-N 1 1 290.329 2.550 50 0 CFAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000195573491 324109355 /nfs/dbraw/zinc/10/93/55/324109355.db2.gz QUTHFQTYLLSWOJ-QGZVFWFLSA-N 1 1 298.390 2.506 50 0 CFAAMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1CCCC1 ZINC000069623672 327100656 /nfs/dbraw/zinc/10/06/56/327100656.db2.gz DAOSQWPKIULPCB-GFCCVEGCSA-N 1 1 296.436 2.517 50 0 CFAAMO CC1(C)C[C@@H](O)CC[N@@H+](CCCc2ccco2)C1 ZINC000828629971 782098527 /nfs/dbraw/zinc/09/85/27/782098527.db2.gz ADUOFALNEDQPLM-ZDUSSCGKSA-N 1 1 251.370 2.695 50 0 CFAAMO CCc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)sc1C ZINC000083817794 522468588 /nfs/dbraw/zinc/46/85/88/522468588.db2.gz DANSFLODBXBXOK-ZYHUDNBSSA-N 1 1 252.383 2.550 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215101060 522474534 /nfs/dbraw/zinc/47/45/34/522474534.db2.gz DAWIFVYPMCZAIC-CQSZACIVSA-N 1 1 289.423 2.993 50 0 CFAAMO Cc1cccc(C)c1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000335142425 524286231 /nfs/dbraw/zinc/28/62/31/524286231.db2.gz UYHZPAXCVGVXBJ-LSDHHAIUSA-N 1 1 287.407 2.861 50 0 CFAAMO CCN1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000000757602 528986362 /nfs/dbraw/zinc/98/63/62/528986362.db2.gz QYBRNCPWJKAJCK-UHFFFAOYSA-N 1 1 252.789 2.914 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000952979483 615777251 /nfs/dbraw/zinc/77/72/51/615777251.db2.gz QCDBOFHMLBMDRF-GFCCVEGCSA-N 1 1 299.374 2.798 50 0 CFAAMO CC[C@H]1C=CC[N@H+]1Cc1cnc(N2CCCCC2)nc1 ZINC000952969121 615877105 /nfs/dbraw/zinc/87/71/05/615877105.db2.gz HUOJVARMFRQGPL-HNNXBMFYSA-N 1 1 272.396 2.617 50 0 CFAAMO Cn1cc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000022918931 618028231 /nfs/dbraw/zinc/02/82/31/618028231.db2.gz LHBCHNPMGMZKAU-SFHVURJKSA-N 1 1 298.434 2.517 50 0 CFAAMO Cc1[nH+]ccn1CCOCCOc1cccc(C)c1 ZINC000006523229 619137915 /nfs/dbraw/zinc/13/79/15/619137915.db2.gz NPCBMCKXSWHDDN-UHFFFAOYSA-N 1 1 260.337 2.596 50 0 CFAAMO COCC[N@H+]1CCC[C@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244336 /nfs/dbraw/zinc/24/43/36/626244336.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 1 1 292.423 2.522 50 0 CFAAMO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244337 /nfs/dbraw/zinc/24/43/37/626244337.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 1 1 292.423 2.522 50 0 CFAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244338 /nfs/dbraw/zinc/24/43/38/626244338.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 1 1 292.423 2.522 50 0 CFAAMO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ncco1 ZINC000863982449 637831431 /nfs/dbraw/zinc/83/14/31/637831431.db2.gz LYWACJIFSKJEKI-LLVKDONJSA-N 1 1 270.336 2.684 50 0 CFAAMO COc1ccc(/C=C/C[N@@H+](C)Cc2c[nH]nc2C)cc1 ZINC000952967420 650790198 /nfs/dbraw/zinc/79/01/98/650790198.db2.gz LKMHZYYVTQFJEI-SNAWJCMRSA-N 1 1 271.364 2.872 50 0 CFAAMO Cc1cccc([C@@H](C(=O)NCCCn2cccc2)[NH+](C)C)c1 ZINC000952987127 650791869 /nfs/dbraw/zinc/79/18/69/650791869.db2.gz JMZHKZHSBHJQMV-KRWDZBQOSA-N 1 1 299.418 2.606 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CN2c3ccccc3SCC2=O)C1 ZINC000095358981 650971936 /nfs/dbraw/zinc/97/19/36/650971936.db2.gz GRVCTRDGPJECMR-CYBMUJFWSA-N 1 1 290.432 2.856 50 0 CFAAMO CCCOc1ccccc1C[N@H+]1CC[C@@H](COC)C1 ZINC000216029507 645987507 /nfs/dbraw/zinc/98/75/07/645987507.db2.gz AUBPPGSEGNCQEL-CQSZACIVSA-N 1 1 263.381 2.944 50 0 CFAAMO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc2cccnc21 ZINC000187305425 648123473 /nfs/dbraw/zinc/12/34/73/648123473.db2.gz JJYCHRFRNYKCTI-GOSISDBHSA-N 1 1 297.402 2.725 50 0 CFAAMO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc2cccnc21 ZINC000187305425 648123478 /nfs/dbraw/zinc/12/34/78/648123478.db2.gz JJYCHRFRNYKCTI-GOSISDBHSA-N 1 1 297.402 2.725 50 0 CFAAMO C[N@H+](C/C=C\c1ccccc1)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000254467458 651089785 /nfs/dbraw/zinc/08/97/85/651089785.db2.gz NTOUULSBZFSECU-LWALAHDXSA-N 1 1 293.432 2.597 50 0 CFAAMO C[N@@H+](C/C=C\c1ccccc1)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000254467458 651089787 /nfs/dbraw/zinc/08/97/87/651089787.db2.gz NTOUULSBZFSECU-LWALAHDXSA-N 1 1 293.432 2.597 50 0 CFAAMO CC1=C(CC[N@@H+]2CCN(C)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000020782223 651301389 /nfs/dbraw/zinc/30/13/89/651301389.db2.gz XNMXDNCXTLFIMM-INIZCTEOSA-N 1 1 294.483 2.902 50 0 CFAAMO Nc1[nH]c2cc(C(F)(F)C(F)(F)F)ccc2[nH+]1 ZINC000725343470 775365429 /nfs/dbraw/zinc/36/54/29/775365429.db2.gz ADDZAUMCNGTEPR-UHFFFAOYSA-N 1 1 251.158 2.799 50 0 CFAAMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCN2CCOC2=O)C1 ZINC000096441532 230373076 /nfs/dbraw/zinc/37/30/76/230373076.db2.gz JWIACOQJQILTOG-IUODEOHRSA-N 1 1 292.354 2.661 50 0 CFAAMO Cn1ccc2cc(CN3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000097742955 230386770 /nfs/dbraw/zinc/38/67/70/230386770.db2.gz USVKVFWZUYYMRC-GOSISDBHSA-N 1 1 283.419 2.754 50 0 CFAAMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccoc1C ZINC000095943904 185037301 /nfs/dbraw/zinc/03/73/01/185037301.db2.gz HKEPPBFXTHXEFR-ZDUSSCGKSA-N 1 1 251.326 2.506 50 0 CFAAMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccoc1C ZINC000095943904 185037302 /nfs/dbraw/zinc/03/73/02/185037302.db2.gz HKEPPBFXTHXEFR-ZDUSSCGKSA-N 1 1 251.326 2.506 50 0 CFAAMO CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1 ZINC000095967809 185046775 /nfs/dbraw/zinc/04/67/75/185046775.db2.gz VANCZKSBRLNGBW-RHSMWYFYSA-N 1 1 293.430 2.502 50 0 CFAAMO Cc1nnc(CN[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000096006410 185063398 /nfs/dbraw/zinc/06/33/98/185063398.db2.gz AGBWMKSQMAIXSX-NSHDSACASA-N 1 1 297.362 2.723 50 0 CFAAMO CSC[C@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000096008395 185063635 /nfs/dbraw/zinc/06/36/35/185063635.db2.gz CBJSVGBKAAYUGD-LLVKDONJSA-N 1 1 288.420 2.539 50 0 CFAAMO Cc1ccsc1C[N@@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000096797772 185114931 /nfs/dbraw/zinc/11/49/31/185114931.db2.gz YWUYRLHMIJOFQB-CQSZACIVSA-N 1 1 274.389 2.715 50 0 CFAAMO Cc1ccsc1C[N@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000096797772 185114932 /nfs/dbraw/zinc/11/49/32/185114932.db2.gz YWUYRLHMIJOFQB-CQSZACIVSA-N 1 1 274.389 2.715 50 0 CFAAMO CC(=O)Nc1ccc(C)c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000097034032 185157406 /nfs/dbraw/zinc/15/74/06/185157406.db2.gz MRBWVQCCSNIABF-DOMZBBRYSA-N 1 1 287.407 2.991 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000069919591 346903444 /nfs/dbraw/zinc/90/34/44/346903444.db2.gz XNOZZVGTRAQFOU-CYBMUJFWSA-N 1 1 287.363 2.824 50 0 CFAAMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@H](C)n1cccn1 ZINC000070018073 346905662 /nfs/dbraw/zinc/90/56/62/346905662.db2.gz AGVOGZCMXOBQBF-OLZOCXBDSA-N 1 1 297.362 2.672 50 0 CFAAMO CC(C)=CC[N@H+](C)[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000072276680 346924992 /nfs/dbraw/zinc/92/49/92/346924992.db2.gz AVZLLOSHKRONRN-OAHLLOKOSA-N 1 1 274.412 2.652 50 0 CFAAMO c1cc([C@@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)n[nH]1 ZINC000072299794 346925430 /nfs/dbraw/zinc/92/54/30/346925430.db2.gz LCXDHTKSDWIDPY-MRXNPFEDSA-N 1 1 297.402 2.767 50 0 CFAAMO c1cc([C@@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)[nH]n1 ZINC000072299794 346925432 /nfs/dbraw/zinc/92/54/32/346925432.db2.gz LCXDHTKSDWIDPY-MRXNPFEDSA-N 1 1 297.402 2.767 50 0 CFAAMO c1cc([C@@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)[nH]n1 ZINC000072299794 346925434 /nfs/dbraw/zinc/92/54/34/346925434.db2.gz LCXDHTKSDWIDPY-MRXNPFEDSA-N 1 1 297.402 2.767 50 0 CFAAMO COc1cccc(CCC[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000072296417 346925589 /nfs/dbraw/zinc/92/55/89/346925589.db2.gz IEHJJRRADWIXGJ-INIZCTEOSA-N 1 1 277.408 2.722 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(C(C)C)nn2)C1 ZINC000823109895 781921909 /nfs/dbraw/zinc/92/19/09/781921909.db2.gz VLRFIUPYNFBDBK-AWEZNQCLSA-N 1 1 276.428 2.768 50 0 CFAAMO O=C1OCCN1CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000075106023 347056218 /nfs/dbraw/zinc/05/62/18/347056218.db2.gz UMMJGCKTBZSPCO-UHFFFAOYSA-N 1 1 298.452 2.580 50 0 CFAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(C(C)C)n1 ZINC000075551847 347083834 /nfs/dbraw/zinc/08/38/34/347083834.db2.gz LKQFLYRYCMFMHG-UHFFFAOYSA-N 1 1 285.391 2.915 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCc2ccncc2)n1 ZINC000075605680 347086365 /nfs/dbraw/zinc/08/63/65/347086365.db2.gz GHTYKLIINOJHOR-SFHVURJKSA-N 1 1 298.434 2.992 50 0 CFAAMO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202835 185562685 /nfs/dbraw/zinc/56/26/85/185562685.db2.gz UIWHDPWXBSECRH-JTQLQIEISA-N 1 1 287.367 2.611 50 0 CFAAMO C[N@H+](Cc1cc[nH]n1)Cc1ccc2cc(O)ccc2c1 ZINC000097272433 185575061 /nfs/dbraw/zinc/57/50/61/185575061.db2.gz NNUDRLHNDGCFHL-UHFFFAOYSA-N 1 1 267.332 2.901 50 0 CFAAMO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2cc(O)ccc2c1 ZINC000097272433 185575062 /nfs/dbraw/zinc/57/50/62/185575062.db2.gz NNUDRLHNDGCFHL-UHFFFAOYSA-N 1 1 267.332 2.901 50 0 CFAAMO COc1ccc2nc(N3CCC[N@@H+](C)CC3)cc(C)c2c1 ZINC000023634218 346252860 /nfs/dbraw/zinc/25/28/60/346252860.db2.gz XBYBQHGKIFQNPN-UHFFFAOYSA-N 1 1 285.391 2.694 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNc2nc(C)cc(C)n2)cn1 ZINC000052510487 346523559 /nfs/dbraw/zinc/52/35/59/346523559.db2.gz FIRZOAJDNGQVSI-UHFFFAOYSA-N 1 1 294.362 2.595 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)C12CCCC2 ZINC000085680209 179113103 /nfs/dbraw/zinc/11/31/03/179113103.db2.gz SHFPYOSGOXFGHU-UONOGXRCSA-N 1 1 263.385 2.546 50 0 CFAAMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ncc[nH]2)cc1F ZINC000080374502 347356275 /nfs/dbraw/zinc/35/62/75/347356275.db2.gz NWAWEXXOOYZTSI-NSHDSACASA-N 1 1 299.353 2.894 50 0 CFAAMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ncc[nH]2)cc1 ZINC000086279296 179262677 /nfs/dbraw/zinc/26/26/77/179262677.db2.gz BYBXZPGPYJVCCX-LBPRGKRZSA-N 1 1 281.363 2.755 50 0 CFAAMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000091692691 347595721 /nfs/dbraw/zinc/59/57/21/347595721.db2.gz QOHOSDXPUXGUNY-CYBMUJFWSA-N 1 1 283.318 2.707 50 0 CFAAMO Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1CC[N@@H+]3CCO2 ZINC000096027995 347700456 /nfs/dbraw/zinc/70/04/56/347700456.db2.gz QPFORCJJDFGHAV-MLGOLLRUSA-N 1 1 259.349 2.876 50 0 CFAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@H](C)c2cccnc2)c1 ZINC000106843622 347733604 /nfs/dbraw/zinc/73/36/04/347733604.db2.gz BUSJYNTVXAYMST-GDBMZVCRSA-N 1 1 270.380 2.812 50 0 CFAAMO CC1(C)COCC[N@@H+]1CCNc1ccc2ccccc2n1 ZINC000170869549 348065028 /nfs/dbraw/zinc/06/50/28/348065028.db2.gz QMFAXIMNIZFBOT-UHFFFAOYSA-N 1 1 285.391 2.758 50 0 CFAAMO CC1(C)COCC[N@H+]1CCNc1ccc2ccccc2n1 ZINC000170869549 348065034 /nfs/dbraw/zinc/06/50/34/348065034.db2.gz QMFAXIMNIZFBOT-UHFFFAOYSA-N 1 1 285.391 2.758 50 0 CFAAMO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000170604354 348055777 /nfs/dbraw/zinc/05/57/77/348055777.db2.gz IXDURIQYAZEGOS-CQDIZWNASA-N 1 1 269.454 2.822 50 0 CFAAMO CCc1nn(C)cc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000170606869 348056862 /nfs/dbraw/zinc/05/68/62/348056862.db2.gz AJJXNVUAHFGBSY-SUMWQHHRSA-N 1 1 284.407 2.961 50 0 CFAAMO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)C(C)(C)CO1 ZINC000184795091 348127794 /nfs/dbraw/zinc/12/77/94/348127794.db2.gz PVDUHYWGBRIIGJ-AWEZNQCLSA-N 1 1 289.423 2.681 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C(C)(C)CO1 ZINC000184795091 348127796 /nfs/dbraw/zinc/12/77/96/348127796.db2.gz PVDUHYWGBRIIGJ-AWEZNQCLSA-N 1 1 289.423 2.681 50 0 CFAAMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)ccc1O ZINC000194974987 348145269 /nfs/dbraw/zinc/14/52/69/348145269.db2.gz YVKCVJXREGYMHJ-MNOVXSKESA-N 1 1 267.394 2.727 50 0 CFAAMO COc1cc(C[N@H+]2CCOCC3(CCCC3)C2)ccc1O ZINC000225670528 348179495 /nfs/dbraw/zinc/17/94/95/348179495.db2.gz AAXWBSCUKFNARL-UHFFFAOYSA-N 1 1 291.391 2.793 50 0 CFAAMO Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CCCC2)cc(C)n1 ZINC000584889688 348728122 /nfs/dbraw/zinc/72/81/22/348728122.db2.gz ZGZFMFGIFXBWEL-UHFFFAOYSA-N 1 1 289.423 2.645 50 0 CFAAMO c1ccc(-c2ncc3c(n2)C[N@@H+]([C@@H]2CCSC2)C3)cc1 ZINC000584894004 348730406 /nfs/dbraw/zinc/73/04/06/348730406.db2.gz SXMSPFBAMLXILW-CQSZACIVSA-N 1 1 283.400 2.965 50 0 CFAAMO Clc1ccc2nc(C[NH2+][C@@H]3CCSC3)[nH]c2c1 ZINC000584898547 348730889 /nfs/dbraw/zinc/73/08/89/348730889.db2.gz QYHLIFAXLIMMMB-SECBINFHSA-N 1 1 267.785 2.811 50 0 CFAAMO CC[N@@H+](C)C1(CNc2ncc(Cl)cn2)CCCC1 ZINC000584903479 348732723 /nfs/dbraw/zinc/73/27/23/348732723.db2.gz KOFBQWGAPRJZRL-UHFFFAOYSA-N 1 1 268.792 2.806 50 0 CFAAMO Cc1n[nH]cc1C[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000585136318 348735565 /nfs/dbraw/zinc/73/55/65/348735565.db2.gz AMLROMZZIHFOQF-CQSZACIVSA-N 1 1 263.385 2.642 50 0 CFAAMO C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000089921999 179883470 /nfs/dbraw/zinc/88/34/70/179883470.db2.gz CYKZBLNMJRSHMZ-OCCSQVGLSA-N 1 1 290.432 2.830 50 0 CFAAMO Cc1ncc([C@H](C)NC[C@@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC000090854111 180046831 /nfs/dbraw/zinc/04/68/31/180046831.db2.gz XKOGTNTUUIJEJI-BBRMVZONSA-N 1 1 290.455 2.864 50 0 CFAAMO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(C)C)c(C)n1 ZINC000090854111 180046834 /nfs/dbraw/zinc/04/68/34/180046834.db2.gz XKOGTNTUUIJEJI-BBRMVZONSA-N 1 1 290.455 2.864 50 0 CFAAMO C[N@H+](CCCc1ccccc1)Cc1nnc2ccccn21 ZINC000081018602 539770475 /nfs/dbraw/zinc/77/04/75/539770475.db2.gz FPSIYPMPGXHBNC-UHFFFAOYSA-N 1 1 280.375 2.794 50 0 CFAAMO C[N@@H+](CCCc1ccccc1)Cc1nnc2ccccn21 ZINC000081018602 539770479 /nfs/dbraw/zinc/77/04/79/539770479.db2.gz FPSIYPMPGXHBNC-UHFFFAOYSA-N 1 1 280.375 2.794 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@@](CO)(CCOC)C2)cc1 ZINC000091427154 180152190 /nfs/dbraw/zinc/15/21/90/180152190.db2.gz DTRLKYGSNIYNAB-GOSISDBHSA-N 1 1 291.435 2.860 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1c(F)cccc1Cl ZINC000091587368 180200297 /nfs/dbraw/zinc/20/02/97/180200297.db2.gz WANZKZDQFCENDI-AWEZNQCLSA-N 1 1 298.789 2.970 50 0 CFAAMO C[C@@H](c1ccccn1)[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000091701883 180229994 /nfs/dbraw/zinc/22/99/94/180229994.db2.gz VNRSHCIVJBTVTG-LRDDRELGSA-N 1 1 274.339 2.947 50 0 CFAAMO CCC[C@]1(CO)CCC[N@H+](Cc2cscn2)C1 ZINC000091756802 180247776 /nfs/dbraw/zinc/24/77/76/180247776.db2.gz YMTFUPQIHBBMDA-ZDUSSCGKSA-N 1 1 254.399 2.518 50 0 CFAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2cscn2)C1 ZINC000091756802 180247778 /nfs/dbraw/zinc/24/77/78/180247778.db2.gz YMTFUPQIHBBMDA-ZDUSSCGKSA-N 1 1 254.399 2.518 50 0 CFAAMO Cc1c[nH+]c(NC[C@@H]2COc3ccccc3C2)nc1N(C)C ZINC000091965554 180294143 /nfs/dbraw/zinc/29/41/43/180294143.db2.gz BQDVZEFOAVTIMD-CYBMUJFWSA-N 1 1 298.390 2.514 50 0 CFAAMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000091892423 180281087 /nfs/dbraw/zinc/28/10/87/180281087.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 1 1 250.411 2.807 50 0 CFAAMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccs1 ZINC000091892423 180281090 /nfs/dbraw/zinc/28/10/90/180281090.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 1 1 250.411 2.807 50 0 CFAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccs1 ZINC000091892423 180281091 /nfs/dbraw/zinc/28/10/91/180281091.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 1 1 250.411 2.807 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)s1 ZINC000092016384 180307012 /nfs/dbraw/zinc/30/70/12/180307012.db2.gz ATUNBTGEBFEVCI-HNNXBMFYSA-N 1 1 291.420 2.538 50 0 CFAAMO Cc1ccc(C[N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)s1 ZINC000092016384 180307014 /nfs/dbraw/zinc/30/70/14/180307014.db2.gz ATUNBTGEBFEVCI-HNNXBMFYSA-N 1 1 291.420 2.538 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)cs1 ZINC000092066605 180316012 /nfs/dbraw/zinc/31/60/12/180316012.db2.gz DNYPUECLBYLZLK-OAHLLOKOSA-N 1 1 280.437 2.826 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@@](CO)(CC3CC3)C2)cs1 ZINC000092066605 180316013 /nfs/dbraw/zinc/31/60/13/180316013.db2.gz DNYPUECLBYLZLK-OAHLLOKOSA-N 1 1 280.437 2.826 50 0 CFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)on1 ZINC000106135282 186103690 /nfs/dbraw/zinc/10/36/90/186103690.db2.gz HKBDFWLQPHQUKP-UKRRQHHQSA-N 1 1 299.374 2.548 50 0 CFAAMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3ccon3)c2C1 ZINC000092407128 180380095 /nfs/dbraw/zinc/38/00/95/180380095.db2.gz XRRBHYLJPXMZDT-UHFFFAOYSA-N 1 1 299.374 2.827 50 0 CFAAMO CCc1nn(C)c(Cl)c1C[N@H+](CC)C[C@@H]1CCCO1 ZINC000092406854 180380106 /nfs/dbraw/zinc/38/01/06/180380106.db2.gz HZSXUJASDVFSLB-NSHDSACASA-N 1 1 285.819 2.637 50 0 CFAAMO CCc1nn(C)c(Cl)c1C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000092406854 180380110 /nfs/dbraw/zinc/38/01/10/180380110.db2.gz HZSXUJASDVFSLB-NSHDSACASA-N 1 1 285.819 2.637 50 0 CFAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)Cc1cnc(C)cn1 ZINC000107145230 186160603 /nfs/dbraw/zinc/16/06/03/186160603.db2.gz VNIICUPKSUMGCH-CHWSQXEVSA-N 1 1 251.399 2.501 50 0 CFAAMO Cc1c[nH]nc1C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000291696058 198061738 /nfs/dbraw/zinc/06/17/38/198061738.db2.gz YNTFNMPZYIYLSH-UHFFFAOYSA-N 1 1 299.418 2.596 50 0 CFAAMO Cc1cn[nH]c1C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000291696058 198061739 /nfs/dbraw/zinc/06/17/39/198061739.db2.gz YNTFNMPZYIYLSH-UHFFFAOYSA-N 1 1 299.418 2.596 50 0 CFAAMO c1ccc([C@H]2CC[N@H+](CCN3CCCCC3)C2)cc1 ZINC000122969866 187063093 /nfs/dbraw/zinc/06/30/93/187063093.db2.gz QKMATCPJXYMCHP-KRWDZBQOSA-N 1 1 258.409 2.962 50 0 CFAAMO c1ccc([C@H]2CCN(CC[NH+]3CCCCC3)C2)cc1 ZINC000122969866 187063094 /nfs/dbraw/zinc/06/30/94/187063094.db2.gz QKMATCPJXYMCHP-KRWDZBQOSA-N 1 1 258.409 2.962 50 0 CFAAMO c1ccc([C@@H]2CC[N@H+](CCN3CCCCC3)C2)cc1 ZINC000122969643 187063295 /nfs/dbraw/zinc/06/32/95/187063295.db2.gz QKMATCPJXYMCHP-QGZVFWFLSA-N 1 1 258.409 2.962 50 0 CFAAMO c1ccc([C@@H]2CCN(CC[NH+]3CCCCC3)C2)cc1 ZINC000122969643 187063296 /nfs/dbraw/zinc/06/32/96/187063296.db2.gz QKMATCPJXYMCHP-QGZVFWFLSA-N 1 1 258.409 2.962 50 0 CFAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)C1CCCC1 ZINC000618256854 352739930 /nfs/dbraw/zinc/73/99/30/352739930.db2.gz NFNOSFCCABXHTQ-CQSZACIVSA-N 1 1 278.421 2.629 50 0 CFAAMO C[N@@H+](CCc1cccs1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000271901295 191398320 /nfs/dbraw/zinc/39/83/20/191398320.db2.gz GVFKIVFMTIHTFR-CVEARBPZSA-N 1 1 273.401 2.881 50 0 CFAAMO CCOCCC[N@H+]1CC[C@H](Nc2ccccn2)[C@H](C)C1 ZINC000084801270 540209919 /nfs/dbraw/zinc/20/99/19/540209919.db2.gz MZIUZDABHUDNKE-CABCVRRESA-N 1 1 277.412 2.631 50 0 CFAAMO O=c1[nH]c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nc2ccccc21 ZINC000007488267 540391478 /nfs/dbraw/zinc/39/14/78/540391478.db2.gz QSMQZOXUVDVHKZ-ZIAGYGMSSA-N 1 1 297.402 2.935 50 0 CFAAMO O=c1[nH]c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)nc2ccccc21 ZINC000007488267 540391480 /nfs/dbraw/zinc/39/14/80/540391480.db2.gz QSMQZOXUVDVHKZ-ZIAGYGMSSA-N 1 1 297.402 2.935 50 0 CFAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C)cc1C ZINC000247944855 540422048 /nfs/dbraw/zinc/42/20/48/540422048.db2.gz WDDAKVWJJVGPSO-HOCLYGCPSA-N 1 1 274.408 2.672 50 0 CFAAMO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)sn1 ZINC000585094240 540462042 /nfs/dbraw/zinc/46/20/42/540462042.db2.gz VGVKCOUMWYROMG-UHFFFAOYSA-N 1 1 280.315 2.926 50 0 CFAAMO C[N@H+](Cc1nc2c(cccc2F)[nH]1)[C@@H]1CCSC1 ZINC000089937614 540720360 /nfs/dbraw/zinc/72/03/60/540720360.db2.gz XFUCDKDDAPFTFY-SECBINFHSA-N 1 1 265.357 2.639 50 0 CFAAMO C[N@@H+](Cc1nc2c(cccc2F)[nH]1)[C@@H]1CCSC1 ZINC000089937614 540720364 /nfs/dbraw/zinc/72/03/64/540720364.db2.gz XFUCDKDDAPFTFY-SECBINFHSA-N 1 1 265.357 2.639 50 0 CFAAMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c(F)cccc1F ZINC000093739049 540723260 /nfs/dbraw/zinc/72/32/60/540723260.db2.gz MNSSCZZZQKMDIF-MNOVXSKESA-N 1 1 255.308 2.558 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](CC)[C@H]1C ZINC000261361523 540973361 /nfs/dbraw/zinc/97/33/61/540973361.db2.gz KGSIZJJFTPHZGH-BBRMVZONSA-N 1 1 261.365 2.949 50 0 CFAAMO Cc1cnn(CCC[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000670437109 540993934 /nfs/dbraw/zinc/99/39/34/540993934.db2.gz UGUQHDNILWQLTF-UHFFFAOYSA-N 1 1 298.434 2.794 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CN1CCCN(c2ccccc2)CC1 ZINC000670439112 540995205 /nfs/dbraw/zinc/99/52/05/540995205.db2.gz RRQQEADLXRZESG-GOSISDBHSA-N 1 1 287.451 2.683 50 0 CFAAMO CCN1CCC[C@@H]1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000670439112 540995209 /nfs/dbraw/zinc/99/52/09/540995209.db2.gz RRQQEADLXRZESG-GOSISDBHSA-N 1 1 287.451 2.683 50 0 CFAAMO CCN1CCC[C@@H]1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000670439112 540995211 /nfs/dbraw/zinc/99/52/11/540995211.db2.gz RRQQEADLXRZESG-GOSISDBHSA-N 1 1 287.451 2.683 50 0 CFAAMO Cc1nncn1CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000670441173 540995716 /nfs/dbraw/zinc/99/57/16/540995716.db2.gz MOWZZNKXSWNKLK-CQSZACIVSA-N 1 1 290.798 2.729 50 0 CFAAMO Cc1[nH]c2c([nH+]1)CCN(Cc1cccc(OC(F)F)c1)C2 ZINC000670440243 540995782 /nfs/dbraw/zinc/99/57/82/540995782.db2.gz CBNQHFAOBWPTNJ-UHFFFAOYSA-N 1 1 293.317 2.878 50 0 CFAAMO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1ccoc1 ZINC000670461228 541002660 /nfs/dbraw/zinc/00/26/60/541002660.db2.gz GUWCYIPCPOLAKQ-INIZCTEOSA-N 1 1 299.374 2.632 50 0 CFAAMO C[N@H+]1CCC[C@H](CCc2ncnn2-c2cccc(F)c2)C1 ZINC000670450674 540998849 /nfs/dbraw/zinc/99/88/49/540998849.db2.gz XXQMMYXFXRQDCK-CYBMUJFWSA-N 1 1 288.370 2.681 50 0 CFAAMO Cc1cccc(CC[N@H+]2CC[C@@](O)(c3ccccc3)C2)n1 ZINC000670457275 541001372 /nfs/dbraw/zinc/00/13/72/541001372.db2.gz JLTBTCKTIJZKKA-SFHVURJKSA-N 1 1 282.387 2.526 50 0 CFAAMO Cn1nc(C[N@@H+](C)C[C@H]2CCOC2)c2c1cccc2Cl ZINC000670458256 541002092 /nfs/dbraw/zinc/00/20/92/541002092.db2.gz WNYQZLDHWIJVJY-LLVKDONJSA-N 1 1 293.798 2.695 50 0 CFAAMO COCC[C@@H]1C[N@@H+](CCCCc2ccccc2)CCO1 ZINC000670458848 541002209 /nfs/dbraw/zinc/00/22/09/541002209.db2.gz VADADAHHBJRHPW-QGZVFWFLSA-N 1 1 277.408 2.747 50 0 CFAAMO CNC(=O)C[C@@H]1CC[N@@H+](Cc2[nH]c3ccc(C)cc3c2C)C1 ZINC000670462583 541004582 /nfs/dbraw/zinc/00/45/82/541004582.db2.gz JMBQTBHOAWEQTF-AWEZNQCLSA-N 1 1 299.418 2.743 50 0 CFAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)c(C)c1 ZINC000000073498 371523865 /nfs/dbraw/zinc/52/38/65/371523865.db2.gz FJXHQPJPZZIBKP-UHFFFAOYSA-N 1 1 298.390 2.982 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000000216263 371561609 /nfs/dbraw/zinc/56/16/09/371561609.db2.gz FVNDYMXSBAPSHU-MRXNPFEDSA-N 1 1 268.360 2.537 50 0 CFAAMO CN1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000000237375 371564379 /nfs/dbraw/zinc/56/43/79/371564379.db2.gz LPWKXZCPKXYWEJ-UHFFFAOYSA-N 1 1 297.240 2.975 50 0 CFAAMO CN(Cc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000000237375 371564384 /nfs/dbraw/zinc/56/43/84/371564384.db2.gz LPWKXZCPKXYWEJ-UHFFFAOYSA-N 1 1 297.240 2.975 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000236647 371564427 /nfs/dbraw/zinc/56/44/27/371564427.db2.gz MJPGKZMPXLQIKM-GFCCVEGCSA-N 1 1 259.271 2.662 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000236647 371564434 /nfs/dbraw/zinc/56/44/34/371564434.db2.gz MJPGKZMPXLQIKM-GFCCVEGCSA-N 1 1 259.271 2.662 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000000240338 371566433 /nfs/dbraw/zinc/56/64/33/371566433.db2.gz LVNFKWOEAAOEKJ-CVEARBPZSA-N 1 1 277.408 2.918 50 0 CFAAMO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000000277685 371576799 /nfs/dbraw/zinc/57/67/99/371576799.db2.gz JGCJCWBFGQNKSG-UHFFFAOYSA-N 1 1 256.349 2.910 50 0 CFAAMO CCOC(=O)N1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000000279790 371577232 /nfs/dbraw/zinc/57/72/32/371577232.db2.gz RIOABTFIOCQRDS-BETUJISGSA-N 1 1 268.401 2.585 50 0 CFAAMO Cc1c(Cl)cccc1NC(=S)N1CC[NH+](C)CC1 ZINC000000306158 371583203 /nfs/dbraw/zinc/58/32/03/371583203.db2.gz PWERCBGPQHGRKG-UHFFFAOYSA-N 1 1 283.828 2.593 50 0 CFAAMO O[C@@H](CC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000001394503 371670066 /nfs/dbraw/zinc/67/00/66/371670066.db2.gz VLTAHNHVCYKZHV-KRWDZBQOSA-N 1 1 268.360 2.563 50 0 CFAAMO CC(C)[N@@H+](C)CCOC(=O)c1ccccc1Cl ZINC000002180587 371718235 /nfs/dbraw/zinc/71/82/35/371718235.db2.gz XEOBNNFHUWDNLH-UHFFFAOYSA-N 1 1 255.745 2.837 50 0 CFAAMO CCCOc1ccccc1NC(=O)C[NH+]1CCCCC1 ZINC000002168163 371718530 /nfs/dbraw/zinc/71/85/30/371718530.db2.gz VMGNBBUDQYUXBU-UHFFFAOYSA-N 1 1 276.380 2.900 50 0 CFAAMO COc1ccc(/C=C/C(=O)OCC[N@@H+](C)C(C)C)cc1 ZINC000002180597 371718668 /nfs/dbraw/zinc/71/86/68/371718668.db2.gz CAKXLCGUBJRIAU-JXMROGBWSA-N 1 1 277.364 2.592 50 0 CFAAMO CCOc1ccc(C(=O)OCC[N@@H+](C)C(C)(C)C)cc1 ZINC000002180603 371719023 /nfs/dbraw/zinc/71/90/23/371719023.db2.gz NHVLVOUDGSLZBZ-UHFFFAOYSA-N 1 1 279.380 2.972 50 0 CFAAMO OCC[N@@H+](CCOCc1ccccc1)Cc1ccccc1 ZINC000002470247 371727253 /nfs/dbraw/zinc/72/72/53/371727253.db2.gz DZOHSMSGNGPWCO-UHFFFAOYSA-N 1 1 285.387 2.698 50 0 CFAAMO C[N@@H+](C[C@H](O)COCc1cccs1)C1CCCCC1 ZINC000003241753 371783088 /nfs/dbraw/zinc/78/30/88/371783088.db2.gz OEOHZDIFLMOPMO-AWEZNQCLSA-N 1 1 283.437 2.890 50 0 CFAAMO CC[N@H+](Cn1ncn(C)c1=S)C1CCCCC1 ZINC000003257917 371785039 /nfs/dbraw/zinc/78/50/39/371785039.db2.gz KMWNRZHGSVNOIY-UHFFFAOYSA-N 1 1 254.403 2.563 50 0 CFAAMO CC[N@@H+](Cn1ncn(C)c1=S)C1CCCCC1 ZINC000003257917 371785045 /nfs/dbraw/zinc/78/50/45/371785045.db2.gz KMWNRZHGSVNOIY-UHFFFAOYSA-N 1 1 254.403 2.563 50 0 CFAAMO Cc1cccc(C)c1NC(=S)N1CCC[N@H+](C)CC1 ZINC000003314519 371789823 /nfs/dbraw/zinc/78/98/23/371789823.db2.gz DVUXMFATTBHEKQ-UHFFFAOYSA-N 1 1 277.437 2.638 50 0 CFAAMO Brc1ccccc1-c1nnc(C[NH2+]C2CC2)o1 ZINC000003389503 371797209 /nfs/dbraw/zinc/79/72/09/371797209.db2.gz IRPUAABVWRCSTE-UHFFFAOYSA-N 1 1 294.152 2.751 50 0 CFAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000003538789 371807649 /nfs/dbraw/zinc/80/76/49/371807649.db2.gz QMOXSWGWCWTMSN-SNVBAGLBSA-N 1 1 268.307 2.778 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000003538789 371807657 /nfs/dbraw/zinc/80/76/57/371807657.db2.gz QMOXSWGWCWTMSN-SNVBAGLBSA-N 1 1 268.307 2.778 50 0 CFAAMO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@@H]1CO ZINC000003680931 371814038 /nfs/dbraw/zinc/81/40/38/371814038.db2.gz BRNHCAQZRAUXMI-TZMCWYRMSA-N 1 1 251.345 2.604 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCCCC1 ZINC000006007619 371886176 /nfs/dbraw/zinc/88/61/76/371886176.db2.gz CHVNFIJIWPRKTE-CYBMUJFWSA-N 1 1 252.402 2.700 50 0 CFAAMO COc1ccc(C(=O)OCC[N@@H+](C)C(C)(C)C)cc1 ZINC000004664771 371871981 /nfs/dbraw/zinc/87/19/81/371871981.db2.gz HSFMNNBUZVNYEL-UHFFFAOYSA-N 1 1 265.353 2.582 50 0 CFAAMO CCC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000005485777 371882391 /nfs/dbraw/zinc/88/23/91/371882391.db2.gz YZOFFOOGEUJNQN-UKRRQHHQSA-N 1 1 258.365 2.539 50 0 CFAAMO O=C(C1CCC1)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000011933089 371938967 /nfs/dbraw/zinc/93/89/67/371938967.db2.gz PNYXRRZXRMIPBH-QGZVFWFLSA-N 1 1 276.424 2.511 50 0 CFAAMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000007787558 371894625 /nfs/dbraw/zinc/89/46/25/371894625.db2.gz OLLUPCKNOMJLSM-GFCCVEGCSA-N 1 1 260.381 2.974 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3cccc(F)c3)cs2)CC1 ZINC000010216335 371902274 /nfs/dbraw/zinc/90/22/74/371902274.db2.gz GVPBMHVOATYETQ-UHFFFAOYSA-N 1 1 277.368 2.701 50 0 CFAAMO O=C(CC1CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011814035 371929015 /nfs/dbraw/zinc/92/90/15/371929015.db2.gz DPLDUOFLBBUBKL-HNNXBMFYSA-N 1 1 290.382 2.706 50 0 CFAAMO O=C(CC1CC1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011814035 371929022 /nfs/dbraw/zinc/92/90/22/371929022.db2.gz DPLDUOFLBBUBKL-HNNXBMFYSA-N 1 1 290.382 2.706 50 0 CFAAMO CC(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000012381926 371957169 /nfs/dbraw/zinc/95/71/69/371957169.db2.gz KYICWHHYJXWQGH-UHFFFAOYSA-N 1 1 295.814 2.686 50 0 CFAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@H]1CCOC1 ZINC000012430092 371962615 /nfs/dbraw/zinc/96/26/15/371962615.db2.gz RRFWJVVBJUCMKR-NSHDSACASA-N 1 1 278.377 2.932 50 0 CFAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@H]1CCOC1 ZINC000012430092 371962621 /nfs/dbraw/zinc/96/26/21/371962621.db2.gz RRFWJVVBJUCMKR-NSHDSACASA-N 1 1 278.377 2.932 50 0 CFAAMO Oc1ccccc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012538590 371972585 /nfs/dbraw/zinc/97/25/85/371972585.db2.gz AZHLQAPEMFIFAG-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000012612366 371977886 /nfs/dbraw/zinc/97/78/86/371977886.db2.gz PQFRUKSUWLQVDM-UHFFFAOYSA-N 1 1 277.368 2.701 50 0 CFAAMO O=C(CCc1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012904923 371996369 /nfs/dbraw/zinc/99/63/69/371996369.db2.gz NKFTVUFEUJAGFY-UHFFFAOYSA-N 1 1 298.386 2.557 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000012289066 371950746 /nfs/dbraw/zinc/95/07/46/371950746.db2.gz ABONSXHZHXQBBR-HUUCEWRRSA-N 1 1 263.381 2.609 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000013521819 372030637 /nfs/dbraw/zinc/03/06/37/372030637.db2.gz MXPXKANYMKBUKK-SNVBAGLBSA-N 1 1 287.388 2.964 50 0 CFAAMO NC(=O)CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000016384653 372105271 /nfs/dbraw/zinc/10/52/71/372105271.db2.gz ACRJNLXCIUGDOX-AWEZNQCLSA-N 1 1 292.429 2.633 50 0 CFAAMO CCc1cccc(CC)c1NC(=S)N1CC[NH+](C)CC1 ZINC000016210675 372101775 /nfs/dbraw/zinc/10/17/75/372101775.db2.gz NSSJBDBHWHRTIM-UHFFFAOYSA-N 1 1 291.464 2.756 50 0 CFAAMO C[C@@H]1C[N@H+](CCCOc2ccccc2F)C[C@H](C)O1 ZINC000016247739 372102928 /nfs/dbraw/zinc/10/29/28/372102928.db2.gz NHJGDYFTOHMSNE-BETUJISGSA-N 1 1 267.344 2.704 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000019108637 372149279 /nfs/dbraw/zinc/14/92/79/372149279.db2.gz RVBGBAJRDDQYCN-JTQLQIEISA-N 1 1 290.392 2.504 50 0 CFAAMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccn2)c1 ZINC000020091648 372228818 /nfs/dbraw/zinc/22/88/18/372228818.db2.gz OXSBBVWWAJKIPX-LBPRGKRZSA-N 1 1 269.348 2.891 50 0 CFAAMO Cc1cc(C(C)(C)C)ccc1OCC[NH+]1CCN(C)CC1 ZINC000020118269 372232488 /nfs/dbraw/zinc/23/24/88/372232488.db2.gz WRHWJGJXZMRPRF-UHFFFAOYSA-N 1 1 290.451 2.919 50 0 CFAAMO Cc1c[nH]c(C[N@H+](C)CCCc2scnc2C)n1 ZINC000020119219 372233095 /nfs/dbraw/zinc/23/30/95/372233095.db2.gz QQWMYQIHJHCNGU-UHFFFAOYSA-N 1 1 264.398 2.548 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)CCCc2scnc2C)n1 ZINC000020119219 372233102 /nfs/dbraw/zinc/23/31/02/372233102.db2.gz QQWMYQIHJHCNGU-UHFFFAOYSA-N 1 1 264.398 2.548 50 0 CFAAMO CCC[NH+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000019741992 372184725 /nfs/dbraw/zinc/18/47/25/372184725.db2.gz UIBLXXBDIRJLNH-UHFFFAOYSA-N 1 1 284.407 2.604 50 0 CFAAMO Cc1ccc2c(=O)c(C[NH+]3CCN(C)CC3)c(C)[nH]c2c1C ZINC000019792155 372188772 /nfs/dbraw/zinc/18/87/72/372188772.db2.gz HIAWBJIQMWDYJL-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO Cc1ccc2c(=O)c(CN3CC[NH+](C)CC3)c(C)[nH]c2c1C ZINC000019792155 372188783 /nfs/dbraw/zinc/18/87/83/372188783.db2.gz HIAWBJIQMWDYJL-UHFFFAOYSA-N 1 1 299.418 2.613 50 0 CFAAMO C[NH+](C)CCNC1c2ccccc2-c2ccccc21 ZINC000019899067 372204309 /nfs/dbraw/zinc/20/43/09/372204309.db2.gz GQNUPLZPYCRVRN-UHFFFAOYSA-N 1 1 252.361 2.908 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(SC)cc1 ZINC000022935925 372248997 /nfs/dbraw/zinc/24/89/97/372248997.db2.gz JNQOWQSPUFWFHF-CQSZACIVSA-N 1 1 264.438 2.982 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(SC)cc1 ZINC000022935925 372249002 /nfs/dbraw/zinc/24/90/02/372249002.db2.gz JNQOWQSPUFWFHF-CQSZACIVSA-N 1 1 264.438 2.982 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1cc2ccccc2n1C ZINC000023476996 372260868 /nfs/dbraw/zinc/26/08/68/372260868.db2.gz ZZKBQLPSJLJFEL-OAHLLOKOSA-N 1 1 271.408 2.752 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1cc2ccccc2n1C ZINC000023476996 372260875 /nfs/dbraw/zinc/26/08/75/372260875.db2.gz ZZKBQLPSJLJFEL-OAHLLOKOSA-N 1 1 271.408 2.752 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000026157477 372313736 /nfs/dbraw/zinc/31/37/36/372313736.db2.gz NCYCIPBARVPSSK-IUODEOHRSA-N 1 1 254.333 2.564 50 0 CFAAMO CCOc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000026225849 372316223 /nfs/dbraw/zinc/31/62/23/372316223.db2.gz FDJVOVPFULLGMX-DYVFJYSZSA-N 1 1 298.386 2.963 50 0 CFAAMO CC(C)C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000027138218 372334740 /nfs/dbraw/zinc/33/47/40/372334740.db2.gz BDNFHYBBGKTRGF-GFCCVEGCSA-N 1 1 273.380 2.790 50 0 CFAAMO Cc1csc2nc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc(=O)n12 ZINC000027134196 372335526 /nfs/dbraw/zinc/33/55/26/372335526.db2.gz XWSLKOIKFHWYBK-NSHDSACASA-N 1 1 293.436 2.931 50 0 CFAAMO C[NH+]1CCN(C(=O)C2c3ccccc3-c3ccccc32)CC1 ZINC000031623687 372414412 /nfs/dbraw/zinc/41/44/12/372414412.db2.gz YTSYTJBQRKOOPY-UHFFFAOYSA-N 1 1 292.382 2.573 50 0 CFAAMO Cc1cccc2c(=O)n(CC[C@@H]3CCCC[N@@H+]3C)cnc12 ZINC000032592962 372447742 /nfs/dbraw/zinc/44/77/42/372447742.db2.gz OGPJTAZBRIUVHR-AWEZNQCLSA-N 1 1 285.391 2.579 50 0 CFAAMO CCC[N@H+](Cc1ccc(C)o1)C[C@H](O)COCC(C)C ZINC000036097889 372559329 /nfs/dbraw/zinc/55/93/29/372559329.db2.gz JIAOSVGPMIZPSY-HNNXBMFYSA-N 1 1 283.412 2.834 50 0 CFAAMO Nc1ccc(F)cc1C[N@H+]1CCc2ccccc2C1 ZINC000035308438 372547310 /nfs/dbraw/zinc/54/73/10/372547310.db2.gz HUAOIBGTZSVOJH-UHFFFAOYSA-N 1 1 256.324 2.966 50 0 CFAAMO CCN1CCC[C@H]([N@H+]2CCC[C@H](CCCOC)C2)C1 ZINC000042437811 372924635 /nfs/dbraw/zinc/92/46/35/372924635.db2.gz NPFJQSFDXRVZQX-CVEARBPZSA-N 1 1 268.445 2.609 50 0 CFAAMO COCC[N@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000042977062 372970586 /nfs/dbraw/zinc/97/05/86/372970586.db2.gz KUMJECUCSSWCQH-UHFFFAOYSA-N 1 1 274.364 2.940 50 0 CFAAMO COCC[N@@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000042977062 372970590 /nfs/dbraw/zinc/97/05/90/372970590.db2.gz KUMJECUCSSWCQH-UHFFFAOYSA-N 1 1 274.364 2.940 50 0 CFAAMO COC(=O)c1ccoc1C[N@@H+](CC(C)C)C1CC1 ZINC000045751662 373032798 /nfs/dbraw/zinc/03/27/98/373032798.db2.gz RAVQDSZUTFRMTM-UHFFFAOYSA-N 1 1 251.326 2.687 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000046995126 373074108 /nfs/dbraw/zinc/07/41/08/373074108.db2.gz OORUSLNETMVRCS-UONOGXRCSA-N 1 1 278.783 2.697 50 0 CFAAMO OC[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000047496336 373098412 /nfs/dbraw/zinc/09/84/12/373098412.db2.gz WOKQVXXIKSLXMP-OAHLLOKOSA-N 1 1 290.338 2.828 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000047496336 373098413 /nfs/dbraw/zinc/09/84/13/373098413.db2.gz WOKQVXXIKSLXMP-OAHLLOKOSA-N 1 1 290.338 2.828 50 0 CFAAMO Cc1ccc(-c2nc(C[NH+]3CCC(CO)CC3)co2)cc1 ZINC000047958826 373135623 /nfs/dbraw/zinc/13/56/23/373135623.db2.gz CDUBWJQRTCLYFQ-UHFFFAOYSA-N 1 1 286.375 2.854 50 0 CFAAMO CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000048827975 373224144 /nfs/dbraw/zinc/22/41/44/373224144.db2.gz KPBRQBXZPMKOFZ-AWEZNQCLSA-N 1 1 289.423 2.738 50 0 CFAAMO Fc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000048409079 373177011 /nfs/dbraw/zinc/17/70/11/373177011.db2.gz QDAZWZKCLAGLDD-UHFFFAOYSA-N 1 1 255.296 2.992 50 0 CFAAMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1 ZINC000048909692 373230655 /nfs/dbraw/zinc/23/06/55/373230655.db2.gz BNIBNNYTYFHTHE-LBPRGKRZSA-N 1 1 279.359 2.679 50 0 CFAAMO Cc1ccccc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000048926152 373231866 /nfs/dbraw/zinc/23/18/66/373231866.db2.gz PFWVYWRZNIIWRJ-ZFWWWQNUSA-N 1 1 274.408 2.845 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000049516780 373306716 /nfs/dbraw/zinc/30/67/16/373306716.db2.gz DMZUHXNUIXORJL-AWEZNQCLSA-N 1 1 275.396 2.848 50 0 CFAAMO COc1ccc(C[N@@H+](CCO)C2CCCCC2)cc1F ZINC000049857385 373323895 /nfs/dbraw/zinc/32/38/95/373323895.db2.gz QIWJCOGQLFEDLU-UHFFFAOYSA-N 1 1 281.371 2.961 50 0 CFAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCC(C)C ZINC000050276498 373368668 /nfs/dbraw/zinc/36/86/68/373368668.db2.gz LTPHARQPCDORDG-ZDUSSCGKSA-N 1 1 280.437 2.830 50 0 CFAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC(C)C ZINC000050276498 373368673 /nfs/dbraw/zinc/36/86/73/373368673.db2.gz LTPHARQPCDORDG-ZDUSSCGKSA-N 1 1 280.437 2.830 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)on1 ZINC000052010019 373429167 /nfs/dbraw/zinc/42/91/67/373429167.db2.gz UJPYNEKCQBOWSF-CABCVRRESA-N 1 1 272.348 2.854 50 0 CFAAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)N1CCCC1 ZINC000052077183 373434442 /nfs/dbraw/zinc/43/44/42/373434442.db2.gz VLNRZCOBZBHFAB-UHFFFAOYSA-N 1 1 276.380 2.647 50 0 CFAAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)N1CCCC1 ZINC000052077183 373434450 /nfs/dbraw/zinc/43/44/50/373434450.db2.gz VLNRZCOBZBHFAB-UHFFFAOYSA-N 1 1 276.380 2.647 50 0 CFAAMO C[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000054061421 373495896 /nfs/dbraw/zinc/49/58/96/373495896.db2.gz XDFOWZYBVFGDNN-HWKANZROSA-N 1 1 299.201 2.781 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000054226651 373505742 /nfs/dbraw/zinc/50/57/42/373505742.db2.gz MICYARTYKFLPHK-PBHICJAKSA-N 1 1 295.386 2.647 50 0 CFAAMO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(F)c1 ZINC000054583354 373526909 /nfs/dbraw/zinc/52/69/09/373526909.db2.gz LSSMFCHPEKEPOY-NHYWBVRUSA-N 1 1 272.323 2.703 50 0 CFAAMO CC[C@H](C)[N@H+](Cc1cc(C)nn1C)Cc1ccncc1 ZINC000055090529 373539648 /nfs/dbraw/zinc/53/96/48/373539648.db2.gz GZKCXGXYCQDERK-AWEZNQCLSA-N 1 1 272.396 2.924 50 0 CFAAMO CC[C@H](C)[N@@H+](Cc1cc(C)nn1C)Cc1ccncc1 ZINC000055090529 373539660 /nfs/dbraw/zinc/53/96/60/373539660.db2.gz GZKCXGXYCQDERK-AWEZNQCLSA-N 1 1 272.396 2.924 50 0 CFAAMO Cc1ccc(-n2nnnc2/C=C/[NH+]2CCCCCC2)cc1 ZINC000055135283 373542417 /nfs/dbraw/zinc/54/24/17/373542417.db2.gz ZPFUFYTZBKSFSP-JLHYYAGUSA-N 1 1 283.379 2.817 50 0 CFAAMO Oc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000055542912 373555641 /nfs/dbraw/zinc/55/56/41/373555641.db2.gz NTDSYVJLDIOOTK-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO Cc1cc(C)c(C[NH2+]CCCN2CCC(O)CC2)c(C)c1 ZINC000058160270 373629044 /nfs/dbraw/zinc/62/90/44/373629044.db2.gz REROQDBIGGGCHZ-UHFFFAOYSA-N 1 1 290.451 2.548 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000058203332 373631695 /nfs/dbraw/zinc/63/16/95/373631695.db2.gz QOROFIVXARLZRG-NSHDSACASA-N 1 1 297.349 2.817 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000063545673 373809414 /nfs/dbraw/zinc/80/94/14/373809414.db2.gz OHULKLUCBROBKC-CQSZACIVSA-N 1 1 289.404 2.843 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000063545673 373809419 /nfs/dbraw/zinc/80/94/19/373809419.db2.gz OHULKLUCBROBKC-CQSZACIVSA-N 1 1 289.404 2.843 50 0 CFAAMO Cc1c(C[N@@H+]2CCC[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000064543139 373826807 /nfs/dbraw/zinc/82/68/07/373826807.db2.gz UBUIAJUFVIVINH-GFCCVEGCSA-N 1 1 288.370 2.947 50 0 CFAAMO CC1CCN(C2=[NH+]CCN2C(=O)CCc2ccccc2)CC1 ZINC000064677742 373833629 /nfs/dbraw/zinc/83/36/29/373833629.db2.gz BGNSXRYTOVELPY-UHFFFAOYSA-N 1 1 299.418 2.549 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(F)(F)F ZINC000063115312 373786183 /nfs/dbraw/zinc/78/61/83/373786183.db2.gz FUGRJAUPPOPIAS-SNVBAGLBSA-N 1 1 298.308 2.672 50 0 CFAAMO Cc1nc2n(c1C)CC[N@H+](CCCc1ccccc1)C2 ZINC000065590141 373890988 /nfs/dbraw/zinc/89/09/88/373890988.db2.gz CXKYYFZLMSZSDM-UHFFFAOYSA-N 1 1 269.392 2.948 50 0 CFAAMO Cc1nc2n(c1C)CC[N@@H+](CCCc1ccccc1)C2 ZINC000065590141 373890994 /nfs/dbraw/zinc/89/09/94/373890994.db2.gz CXKYYFZLMSZSDM-UHFFFAOYSA-N 1 1 269.392 2.948 50 0 CFAAMO CNc1cc[nH+]c(NCc2nc(C(C)(C)C)cs2)n1 ZINC000065373495 373859262 /nfs/dbraw/zinc/85/92/62/373859262.db2.gz SXPCZMHRNLTADW-UHFFFAOYSA-N 1 1 277.397 2.884 50 0 CFAAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccn1-c1ncccn1 ZINC000065383451 373861740 /nfs/dbraw/zinc/86/17/40/373861740.db2.gz NRILPAFILAYCHR-AWEZNQCLSA-N 1 1 293.374 2.855 50 0 CFAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccn1-c1ncccn1 ZINC000065383451 373861748 /nfs/dbraw/zinc/86/17/48/373861748.db2.gz NRILPAFILAYCHR-AWEZNQCLSA-N 1 1 293.374 2.855 50 0 CFAAMO CCC[C@H]1COCC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000065404620 373866038 /nfs/dbraw/zinc/86/60/38/373866038.db2.gz BPAHRVLKKRDJSG-INIZCTEOSA-N 1 1 276.380 2.646 50 0 CFAAMO CCC[NH+]1CCC(Cc2n[nH]c(CC(C)C)n2)CC1 ZINC000065406959 373868659 /nfs/dbraw/zinc/86/86/59/373868659.db2.gz YFXJAWKJJGDPOI-UHFFFAOYSA-N 1 1 264.417 2.668 50 0 CFAAMO CCC[NH+]1CCC(Cc2nnc(CC(C)C)[nH]2)CC1 ZINC000065406959 373868664 /nfs/dbraw/zinc/86/86/64/373868664.db2.gz YFXJAWKJJGDPOI-UHFFFAOYSA-N 1 1 264.417 2.668 50 0 CFAAMO CCCc1nc(N[C@@H](C)Cc2cnccn2)cc(C)[nH+]1 ZINC000065406616 373869065 /nfs/dbraw/zinc/86/90/65/373869065.db2.gz PBMSSJNHQKFXCP-NSHDSACASA-N 1 1 271.368 2.571 50 0 CFAAMO Cc1nc[nH]c1C[N@H+]1CCCN(c2ccccc2C)CC1 ZINC000065461329 373875929 /nfs/dbraw/zinc/87/59/29/373875929.db2.gz RDNMXYHAABHDDT-UHFFFAOYSA-N 1 1 284.407 2.739 50 0 CFAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CC3CC3)C2)cc1 ZINC000067869284 374013744 /nfs/dbraw/zinc/01/37/44/374013744.db2.gz FSMFOWGININOGH-QGZVFWFLSA-N 1 1 286.419 2.733 50 0 CFAAMO CC(C)=CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067562973 373982721 /nfs/dbraw/zinc/98/27/21/373982721.db2.gz HOONCNTYGHBPHH-HNNXBMFYSA-N 1 1 290.407 2.964 50 0 CFAAMO CCCC(=O)N1CCC([N@H+]2CCCC[C@H]2CCOC)CC1 ZINC000067587578 373986043 /nfs/dbraw/zinc/98/60/43/373986043.db2.gz UYJDXNVHRUVTPV-HNNXBMFYSA-N 1 1 296.455 2.669 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccoc1C ZINC000069653994 374083322 /nfs/dbraw/zinc/08/33/22/374083322.db2.gz QXWQBHLVBLLNHI-GJZGRUSLSA-N 1 1 276.380 2.677 50 0 CFAAMO C[C@@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)O1 ZINC000069414145 374059304 /nfs/dbraw/zinc/05/93/04/374059304.db2.gz ZZODWSXVJAQKPB-DOMZBBRYSA-N 1 1 259.349 2.570 50 0 CFAAMO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000069413702 374059342 /nfs/dbraw/zinc/05/93/42/374059342.db2.gz TZCXVTAFEBBOPB-STQMWFEESA-N 1 1 297.362 2.672 50 0 CFAAMO C[C@@H](Cn1cccn1)[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC000069444342 374064431 /nfs/dbraw/zinc/06/44/31/374064431.db2.gz STNINBRBTRPJBE-ZDUSSCGKSA-N 1 1 282.347 2.716 50 0 CFAAMO Clc1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)s1 ZINC000069657725 374082735 /nfs/dbraw/zinc/08/27/35/374082735.db2.gz WXQQHEDUFHBOHU-NSHDSACASA-N 1 1 296.827 2.905 50 0 CFAAMO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)c1ccccc1F ZINC000069558256 374072822 /nfs/dbraw/zinc/07/28/22/374072822.db2.gz KVYPFDJVFYUQRY-LRDDRELGSA-N 1 1 274.339 2.737 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000069558256 374072828 /nfs/dbraw/zinc/07/28/28/374072828.db2.gz KVYPFDJVFYUQRY-LRDDRELGSA-N 1 1 274.339 2.737 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1 ZINC000069569002 374074657 /nfs/dbraw/zinc/07/46/57/374074657.db2.gz XBYPFVSHKRWVLM-CQSZACIVSA-N 1 1 281.444 2.739 50 0 CFAAMO Cc1oc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1C ZINC000069659058 374083125 /nfs/dbraw/zinc/08/31/25/374083125.db2.gz VUPLHOKAFFESSJ-LSDHHAIUSA-N 1 1 290.407 2.904 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccoc1C ZINC000069653992 374083140 /nfs/dbraw/zinc/08/31/40/374083140.db2.gz QXWQBHLVBLLNHI-CABCVRRESA-N 1 1 276.380 2.677 50 0 CFAAMO CCOCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000069586848 374076531 /nfs/dbraw/zinc/07/65/31/374076531.db2.gz XZCXUVQEEHPSKO-CYBMUJFWSA-N 1 1 263.337 2.589 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2cnc(C)s2)n1 ZINC000070004165 374113745 /nfs/dbraw/zinc/11/37/45/374113745.db2.gz VZQWMMPZXLMBFY-CQSZACIVSA-N 1 1 290.436 2.929 50 0 CFAAMO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@H](C)n1cccn1 ZINC000069979367 374114385 /nfs/dbraw/zinc/11/43/85/374114385.db2.gz XNOIGMKQNVQWFY-RYUDHWBXSA-N 1 1 276.384 2.908 50 0 CFAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2nc3ccccc3o2)c1 ZINC000070039465 374117785 /nfs/dbraw/zinc/11/77/85/374117785.db2.gz XDNSRZJEMPQUEC-CQSZACIVSA-N 1 1 296.374 2.997 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)C1 ZINC000069772963 374095151 /nfs/dbraw/zinc/09/51/51/374095151.db2.gz QKMYYTBTTCQNGD-QLFBSQMISA-N 1 1 299.374 2.752 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000069779984 374096346 /nfs/dbraw/zinc/09/63/46/374096346.db2.gz MGMSXILYKAOEJK-CABCVRRESA-N 1 1 294.345 2.664 50 0 CFAAMO CC(C)=CCN1CC[N@@H+](C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000069807970 374097433 /nfs/dbraw/zinc/09/74/33/374097433.db2.gz CXGMBLZHGUTSOL-AEFFLSMTSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@@H+]1CCN(C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000069807970 374097444 /nfs/dbraw/zinc/09/74/44/374097444.db2.gz CXGMBLZHGUTSOL-AEFFLSMTSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@H+]1CCN(C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000069807970 374097452 /nfs/dbraw/zinc/09/74/52/374097452.db2.gz CXGMBLZHGUTSOL-AEFFLSMTSA-N 1 1 288.435 2.692 50 0 CFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000069872644 374105052 /nfs/dbraw/zinc/10/50/52/374105052.db2.gz OTPTWPIXQSANLT-AWEZNQCLSA-N 1 1 287.363 2.581 50 0 CFAAMO C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000071376039 374217290 /nfs/dbraw/zinc/21/72/90/374217290.db2.gz DRDTZVQFUXXXKQ-GOEBONIOSA-N 1 1 272.392 2.522 50 0 CFAAMO c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2c[nH]cn2)n1 ZINC000071775939 374223384 /nfs/dbraw/zinc/22/33/84/374223384.db2.gz GOLHPWNBNUGNQL-HNNXBMFYSA-N 1 1 293.374 2.720 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H]2CCCC[C@@H]2C)C1 ZINC000248498304 189948282 /nfs/dbraw/zinc/94/82/82/189948282.db2.gz ROOYBKJWKRKOHG-NUEKZKHPSA-N 1 1 266.429 2.613 50 0 CFAAMO OC[C@@H]1COCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072475282 374255285 /nfs/dbraw/zinc/25/52/85/374255285.db2.gz DJQJQZCNWVUUJD-QGZVFWFLSA-N 1 1 297.398 2.794 50 0 CFAAMO c1c[nH+]c(C2CCN(c3cnc4ccccc4n3)CC2)[nH]1 ZINC000072411120 374248963 /nfs/dbraw/zinc/24/89/63/374248963.db2.gz CLKDYFJBUZHYAH-UHFFFAOYSA-N 1 1 279.347 2.737 50 0 CFAAMO CC[C@@H]1C[N@H+](Cc2nc(N)c3ccccc3n2)CCS1 ZINC000072862427 374294770 /nfs/dbraw/zinc/29/47/70/374294770.db2.gz HZPLAHRQEVODTJ-LLVKDONJSA-N 1 1 288.420 2.539 50 0 CFAAMO CC[C@@H]1C[N@@H+](Cc2nc(N)c3ccccc3n2)CCS1 ZINC000072862427 374294775 /nfs/dbraw/zinc/29/47/75/374294775.db2.gz HZPLAHRQEVODTJ-LLVKDONJSA-N 1 1 288.420 2.539 50 0 CFAAMO CCSC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000072904027 374300865 /nfs/dbraw/zinc/30/08/65/374300865.db2.gz DBAPYISVRJWVMX-GFCCVEGCSA-N 1 1 280.437 2.620 50 0 CFAAMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)on1 ZINC000075132321 374459585 /nfs/dbraw/zinc/45/95/85/374459585.db2.gz TZTUOLOBJYWXRH-CQSZACIVSA-N 1 1 274.368 2.670 50 0 CFAAMO CS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2)C1 ZINC000075921674 374513199 /nfs/dbraw/zinc/51/31/99/374513199.db2.gz KYGBQECUITXZHO-KBPBESRZSA-N 1 1 278.421 2.841 50 0 CFAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccco2)C1 ZINC000076068844 374528295 /nfs/dbraw/zinc/52/82/95/374528295.db2.gz DSYZUKPBTYFZLS-OCCSQVGLSA-N 1 1 296.436 2.502 50 0 CFAAMO CCCCS[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000079098902 374594291 /nfs/dbraw/zinc/59/42/91/374594291.db2.gz AYCSBRRAJSYVPB-SCRDCRAPSA-N 1 1 284.469 2.507 50 0 CFAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(OC)cc1C ZINC000079028770 374584555 /nfs/dbraw/zinc/58/45/55/374584555.db2.gz PLJOZRSTNRVQAX-CYBMUJFWSA-N 1 1 293.411 2.855 50 0 CFAAMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCS(C)(=O)=O ZINC000079035196 374585608 /nfs/dbraw/zinc/58/56/08/374585608.db2.gz VCAGJEIEXJXBQG-HNNXBMFYSA-N 1 1 283.437 2.750 50 0 CFAAMO CCC[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1N(C)C ZINC000082107827 374726070 /nfs/dbraw/zinc/72/60/70/374726070.db2.gz OSZRAGVCUFNRPB-TZMCWYRMSA-N 1 1 252.427 2.910 50 0 CFAAMO CCC[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1N(C)C ZINC000082107827 374726072 /nfs/dbraw/zinc/72/60/72/374726072.db2.gz OSZRAGVCUFNRPB-TZMCWYRMSA-N 1 1 252.427 2.910 50 0 CFAAMO Cc1ccc(-c2noc([C@@H](C)n3cc[nH+]c3C(C)C)n2)nn1 ZINC000082099352 374726955 /nfs/dbraw/zinc/72/69/55/374726955.db2.gz WLUAKICTTRNILQ-LLVKDONJSA-N 1 1 298.350 2.764 50 0 CFAAMO CCc1nc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cs1 ZINC000089289933 374893972 /nfs/dbraw/zinc/89/39/72/374893972.db2.gz LCQWGRVPEMFBTL-GFCCVEGCSA-N 1 1 288.420 2.875 50 0 CFAAMO CCc1nc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cs1 ZINC000089289933 374893978 /nfs/dbraw/zinc/89/39/78/374893978.db2.gz LCQWGRVPEMFBTL-GFCCVEGCSA-N 1 1 288.420 2.875 50 0 CFAAMO COc1cccc(C(=O)Nc2cc(C)[nH+]c(C)c2)c1 ZINC000089587397 374924445 /nfs/dbraw/zinc/92/44/45/374924445.db2.gz BUEHOSUNOMCDPV-UHFFFAOYSA-N 1 1 256.305 2.959 50 0 CFAAMO Cc1cccn2cc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)nc12 ZINC000089700418 374939201 /nfs/dbraw/zinc/93/92/01/374939201.db2.gz WDPKIVQMEXPVGU-CQSZACIVSA-N 1 1 295.390 2.745 50 0 CFAAMO C[C@@H](c1ccccc1)[N@@H+](C)CCCNC(=O)C(F)(F)F ZINC000089905443 374966674 /nfs/dbraw/zinc/96/66/74/374966674.db2.gz ZDZQKODNYGCVRE-NSHDSACASA-N 1 1 288.313 2.748 50 0 CFAAMO CC[C@@](C)([NH2+]Cc1cc(Cl)ccc1Cl)C(N)=O ZINC000089941959 374974620 /nfs/dbraw/zinc/97/46/20/374974620.db2.gz RKPVIORSQUCEJW-GFCCVEGCSA-N 1 1 275.179 2.737 50 0 CFAAMO CCCC[C@@H](C(N)=O)[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000089950127 374977060 /nfs/dbraw/zinc/97/70/60/374977060.db2.gz YVJQWVJXBLMPAS-HNNXBMFYSA-N 1 1 291.395 2.506 50 0 CFAAMO CS(=O)(=O)CC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000090010647 374986415 /nfs/dbraw/zinc/98/64/15/374986415.db2.gz VDAOQEKEGSIWKW-INIZCTEOSA-N 1 1 295.448 2.518 50 0 CFAAMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cccnc1 ZINC000092741250 375146627 /nfs/dbraw/zinc/14/66/27/375146627.db2.gz AYDBGLILBYPDJA-CQSZACIVSA-N 1 1 261.413 2.997 50 0 CFAAMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cccnc1 ZINC000092741250 375146634 /nfs/dbraw/zinc/14/66/34/375146634.db2.gz AYDBGLILBYPDJA-CQSZACIVSA-N 1 1 261.413 2.997 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000093482859 375252405 /nfs/dbraw/zinc/25/24/05/375252405.db2.gz FGJCFPQVYWOMOZ-UKRRQHHQSA-N 1 1 293.407 2.748 50 0 CFAAMO CCSC[C@H](C)[N@@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000093739422 375304555 /nfs/dbraw/zinc/30/45/55/375304555.db2.gz KJOHDYWHIZPTEB-ZDUSSCGKSA-N 1 1 292.452 2.920 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)nc1 ZINC000095462707 375457221 /nfs/dbraw/zinc/45/72/21/375457221.db2.gz OVKXZEFOKXEYDZ-MRXNPFEDSA-N 1 1 278.396 2.727 50 0 CFAAMO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)CCO1 ZINC000095465779 375458607 /nfs/dbraw/zinc/45/86/07/375458607.db2.gz LEFDNDKZSCZHMX-GJZGRUSLSA-N 1 1 265.401 2.792 50 0 CFAAMO Cc1ccc(C[NH2+]Cc2ccnn2C)c(Br)c1 ZINC000095973513 375464402 /nfs/dbraw/zinc/46/44/02/375464402.db2.gz MNQJUQPEODTZJB-UHFFFAOYSA-N 1 1 294.196 2.781 50 0 CFAAMO Cc1ncsc1CC[N@@H+](C)CCc1nccs1 ZINC000095973446 375464637 /nfs/dbraw/zinc/46/46/37/375464637.db2.gz WBPYBAZUEHVLNZ-UHFFFAOYSA-N 1 1 267.423 2.625 50 0 CFAAMO Cc1cc(N2CCC[C@@H](c3nccs3)C2)nc(C)[nH+]1 ZINC000095994706 375466561 /nfs/dbraw/zinc/46/65/61/375466561.db2.gz HGTKLMSURAFKEN-GFCCVEGCSA-N 1 1 274.393 2.934 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000095087203 375410389 /nfs/dbraw/zinc/41/03/89/375410389.db2.gz LRUZPZXSSQUJGH-CQSZACIVSA-N 1 1 291.395 2.571 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000095087203 375410394 /nfs/dbraw/zinc/41/03/94/375410394.db2.gz LRUZPZXSSQUJGH-CQSZACIVSA-N 1 1 291.395 2.571 50 0 CFAAMO CCc1cc(NCCC[N@@H+](C)C2CCCC2)ncn1 ZINC000095355913 375417282 /nfs/dbraw/zinc/41/72/82/375417282.db2.gz WUKLHIBEOCCLKO-UHFFFAOYSA-N 1 1 262.401 2.715 50 0 CFAAMO Cc1cnc(NC[C@H]2CCC[N@@H+](Cc3ccco3)C2)nc1 ZINC000095358845 375419729 /nfs/dbraw/zinc/41/97/29/375419729.db2.gz GBHMOJKBNDCFRY-CQSZACIVSA-N 1 1 286.379 2.702 50 0 CFAAMO O=C(NCC1=CCCCC1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095372843 375423153 /nfs/dbraw/zinc/42/31/53/375423153.db2.gz IFLRSCHMEJZHOM-QGZVFWFLSA-N 1 1 299.418 2.835 50 0 CFAAMO Cc1ccc(CCNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)o1 ZINC000095385220 375426302 /nfs/dbraw/zinc/42/63/02/375426302.db2.gz REJGMBVKTUYLND-ZDUSSCGKSA-N 1 1 289.379 2.828 50 0 CFAAMO Cc1cccc([C@@H](C(=O)NC(C2CC2)C2CC2)[NH+](C)C)c1 ZINC000095384697 375427369 /nfs/dbraw/zinc/42/73/69/375427369.db2.gz JNMTWRQKFSGJOQ-KRWDZBQOSA-N 1 1 286.419 2.903 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1=CCCCC1 ZINC000095382029 375427473 /nfs/dbraw/zinc/42/74/73/375427473.db2.gz JLQHGHSUITZSDV-HNNXBMFYSA-N 1 1 264.413 2.868 50 0 CFAAMO Cc1cccc(CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000095387111 375428453 /nfs/dbraw/zinc/42/84/53/375428453.db2.gz BDGWBZYZVALCCH-KRWDZBQOSA-N 1 1 288.435 2.918 50 0 CFAAMO CC[N@@H+](C)C(C)(C)CNc1cc(C(C)C)ncn1 ZINC000095392170 375428559 /nfs/dbraw/zinc/42/85/59/375428559.db2.gz OUENHZCQYDATNL-UHFFFAOYSA-N 1 1 250.390 2.742 50 0 CFAAMO C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CCCOC1 ZINC000095404857 375433152 /nfs/dbraw/zinc/43/31/52/375433152.db2.gz QOVWZOCXJDHEOM-OAHLLOKOSA-N 1 1 275.392 2.522 50 0 CFAAMO O=C(NC1CC1)[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000095408625 375434378 /nfs/dbraw/zinc/43/43/78/375434378.db2.gz SXHXUVCHTDJEGB-ZYHUDNBSSA-N 1 1 293.798 2.984 50 0 CFAAMO c1ncn(CC[N@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000095426356 375443775 /nfs/dbraw/zinc/44/37/75/375443775.db2.gz BKTFDQBXFAUFBV-DLBZAZTESA-N 1 1 282.391 2.679 50 0 CFAAMO CCCc1[nH+]ccn1Cc1cccc2c1OCCO2 ZINC000095441046 375450727 /nfs/dbraw/zinc/45/07/27/375450727.db2.gz GGFZLVIBCXPMNO-UHFFFAOYSA-N 1 1 258.321 2.655 50 0 CFAAMO Cc1cccc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)[nH+]1 ZINC000097163276 375535211 /nfs/dbraw/zinc/53/52/11/375535211.db2.gz IDUZEEPTXGGTSP-AWEZNQCLSA-N 1 1 289.423 2.767 50 0 CFAAMO Cc1cccc(NC[C@@H]2CC[N@H+](CCOC(C)C)C2)n1 ZINC000097200891 375539145 /nfs/dbraw/zinc/53/91/45/375539145.db2.gz AHGPMLSFFXCMBG-HNNXBMFYSA-N 1 1 277.412 2.549 50 0 CFAAMO C1CC1c1nsc(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000097227415 375542361 /nfs/dbraw/zinc/54/23/61/375542361.db2.gz GNMPUPCJCRRRII-UHFFFAOYSA-N 1 1 292.452 2.870 50 0 CFAAMO Clc1c[nH+]ccc1N1CCC(OC2CCOCC2)CC1 ZINC000096454014 375487169 /nfs/dbraw/zinc/48/71/69/375487169.db2.gz XFAXRQNCXKJZRY-UHFFFAOYSA-N 1 1 296.798 2.899 50 0 CFAAMO C[N@H+](CCc1ccncc1)Cc1ccncc1Cl ZINC000097051185 375504474 /nfs/dbraw/zinc/50/44/74/375504474.db2.gz FXZNJCIKUFKLDO-UHFFFAOYSA-N 1 1 261.756 2.805 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1ccncc1Cl ZINC000097051185 375504478 /nfs/dbraw/zinc/50/44/78/375504478.db2.gz FXZNJCIKUFKLDO-UHFFFAOYSA-N 1 1 261.756 2.805 50 0 CFAAMO CC(C)c1[nH+]ccn1Cc1cccc(C(=O)N(C)C)c1 ZINC000097053408 375505726 /nfs/dbraw/zinc/50/57/26/375505726.db2.gz JPMNSOWTXAJVHV-UHFFFAOYSA-N 1 1 271.364 2.757 50 0 CFAAMO CC[N@H+]1CC[C@@H](Nc2ccccc2COC)[C@H](C)C1 ZINC000097095651 375517033 /nfs/dbraw/zinc/51/70/33/375517033.db2.gz ISVQEAFERUVLQD-UKRRQHHQSA-N 1 1 262.397 2.975 50 0 CFAAMO COCCN1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000097103891 375519523 /nfs/dbraw/zinc/51/95/23/375519523.db2.gz NJVDLBNVNDXJAX-CQSZACIVSA-N 1 1 296.842 2.708 50 0 CFAAMO CC[C@H]([NH2+]CC1OCCO1)c1nc(C(F)(F)F)cs1 ZINC000097111032 375521056 /nfs/dbraw/zinc/52/10/56/375521056.db2.gz RWEANXCFDQZNTB-ZETCQYMHSA-N 1 1 296.314 2.576 50 0 CFAAMO Cn1cc(C[N@H+]2CCC[C@](C)(O)C2)c(C2CCCCC2)n1 ZINC000097108464 375521163 /nfs/dbraw/zinc/52/11/63/375521163.db2.gz LMRRIOYZDYXTBU-KRWDZBQOSA-N 1 1 291.439 2.815 50 0 CFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000097137220 375526971 /nfs/dbraw/zinc/52/69/71/375526971.db2.gz UAASVHRPSDPTAR-LLVKDONJSA-N 1 1 277.318 2.818 50 0 CFAAMO Fc1ccc2oc(C[N@@H+]3CCCC4(C3)OCCO4)cc2c1 ZINC000097139043 375527278 /nfs/dbraw/zinc/52/72/78/375527278.db2.gz DBQSLERXXRDJPZ-UHFFFAOYSA-N 1 1 291.322 2.911 50 0 CFAAMO Fc1ccc2oc(C[N@H+]3CCCC4(C3)OCCO4)cc2c1 ZINC000097139043 375527283 /nfs/dbraw/zinc/52/72/83/375527283.db2.gz DBQSLERXXRDJPZ-UHFFFAOYSA-N 1 1 291.322 2.911 50 0 CFAAMO CO[C@@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC000097324000 375549860 /nfs/dbraw/zinc/54/98/60/375549860.db2.gz XTVXCEHXUPTCPW-MRXNPFEDSA-N 1 1 257.333 2.766 50 0 CFAAMO CCc1cc2c(ncnc2NCCc2c[nH+]cn2C)s1 ZINC000097373086 375553805 /nfs/dbraw/zinc/55/38/05/375553805.db2.gz QMZKCCRNPOSOQS-UHFFFAOYSA-N 1 1 287.392 2.642 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000097375012 375553983 /nfs/dbraw/zinc/55/39/83/375553983.db2.gz AXSNQRQECGMBPF-CYBMUJFWSA-N 1 1 293.388 2.540 50 0 CFAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2CO)ccc1F ZINC000097394131 375557784 /nfs/dbraw/zinc/55/77/84/375557784.db2.gz HXLSPVOYYMCMAG-CYBMUJFWSA-N 1 1 267.344 2.571 50 0 CFAAMO OC[C@]1(O)CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC000097604189 375572866 /nfs/dbraw/zinc/57/28/66/375572866.db2.gz WPIJZGDEOMNHIC-INIZCTEOSA-N 1 1 291.416 2.611 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc3nonc32)on1 ZINC000097610250 375573344 /nfs/dbraw/zinc/57/33/44/375573344.db2.gz AICMHRINUCOUTO-CYBMUJFWSA-N 1 1 284.319 2.856 50 0 CFAAMO COc1ccc(C2=C[C@H](c3ccco3)N3NC=NC3=[NH+]2)cc1 ZINC000100487098 375623380 /nfs/dbraw/zinc/62/33/80/375623380.db2.gz BZXPTZQKAPOKFX-CQSZACIVSA-N 1 1 294.314 2.589 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000102961982 375705214 /nfs/dbraw/zinc/70/52/14/375705214.db2.gz JBXDCVZZZNLFSO-HUUCEWRRSA-N 1 1 295.448 2.889 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000102961982 375705219 /nfs/dbraw/zinc/70/52/19/375705219.db2.gz JBXDCVZZZNLFSO-HUUCEWRRSA-N 1 1 295.448 2.889 50 0 CFAAMO Cn1c[nH+]cc1CCNc1nc(-c2ccccc2)ns1 ZINC000129518145 377438796 /nfs/dbraw/zinc/43/87/96/377438796.db2.gz MCNUJLBFYLQBKE-UHFFFAOYSA-N 1 1 285.376 2.593 50 0 CFAAMO CN1CC[NH+](CCCSc2cc(F)ccc2F)CC1 ZINC000130208496 377521252 /nfs/dbraw/zinc/52/12/52/377521252.db2.gz CQSKTPGMTAUVHN-UHFFFAOYSA-N 1 1 286.391 2.694 50 0 CFAAMO CC[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000329798689 378498437 /nfs/dbraw/zinc/49/84/37/378498437.db2.gz XOKOVQJBYFFQRW-GFCCVEGCSA-N 1 1 279.384 2.727 50 0 CFAAMO c1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)oc1-c1ccccc1 ZINC000153574805 378499220 /nfs/dbraw/zinc/49/92/20/378499220.db2.gz SZYXUDXOPHJKAG-QGZVFWFLSA-N 1 1 284.359 2.954 50 0 CFAAMO CCn1c2ccc(C)cc2[nH+]c1NCc1cc[nH]n1 ZINC000159009299 378679831 /nfs/dbraw/zinc/67/98/31/378679831.db2.gz NAOIGLYKZUWEQU-UHFFFAOYSA-N 1 1 255.325 2.700 50 0 CFAAMO CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000170594874 379122448 /nfs/dbraw/zinc/12/24/48/379122448.db2.gz VQECRBRHNZSEDJ-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO CCn1c(C)nnc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173838773 379786816 /nfs/dbraw/zinc/78/68/16/379786816.db2.gz NDJMBNHVDGZULR-OAHLLOKOSA-N 1 1 292.427 2.530 50 0 CFAAMO CCn1c(C)nnc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173838773 379786818 /nfs/dbraw/zinc/78/68/18/379786818.db2.gz NDJMBNHVDGZULR-OAHLLOKOSA-N 1 1 292.427 2.530 50 0 CFAAMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000279023479 194254904 /nfs/dbraw/zinc/25/49/04/194254904.db2.gz WAPKQAKXTFKSLR-OAHLLOKOSA-N 1 1 293.798 2.893 50 0 CFAAMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000279023479 194254906 /nfs/dbraw/zinc/25/49/06/194254906.db2.gz WAPKQAKXTFKSLR-OAHLLOKOSA-N 1 1 293.798 2.893 50 0 CFAAMO CC(C)[C@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000049077667 412932195 /nfs/dbraw/zinc/93/21/95/412932195.db2.gz OYEFINTWAXMMBW-CQSZACIVSA-N 1 1 271.364 2.544 50 0 CFAAMO C[N@H+](CCc1ccccc1)Cc1nc(C(F)F)no1 ZINC000408524907 380940679 /nfs/dbraw/zinc/94/06/79/380940679.db2.gz VGQLQOXHCOMJOH-UHFFFAOYSA-N 1 1 267.279 2.682 50 0 CFAAMO C[N@@H+](CCc1ccccc1)Cc1nc(C(F)F)no1 ZINC000408524907 380940689 /nfs/dbraw/zinc/94/06/89/380940689.db2.gz VGQLQOXHCOMJOH-UHFFFAOYSA-N 1 1 267.279 2.682 50 0 CFAAMO C=CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000408525947 380941494 /nfs/dbraw/zinc/94/14/94/380941494.db2.gz UXMFNFNVBCKAQW-SJPCQFCGSA-N 1 1 284.403 2.826 50 0 CFAAMO OCC[C@@H]1CC[N@@H+](CCCc2cncc3ccccc32)C1 ZINC000408525508 380941663 /nfs/dbraw/zinc/94/16/63/380941663.db2.gz LWKYZNIOCFRYFV-HNNXBMFYSA-N 1 1 284.403 2.872 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2F)C1 ZINC000049396750 412941634 /nfs/dbraw/zinc/94/16/34/412941634.db2.gz HLQDFDZBWAVWNA-LBPRGKRZSA-N 1 1 279.359 2.678 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccco2)C1 ZINC000049479565 412948619 /nfs/dbraw/zinc/94/86/19/412948619.db2.gz SKBVMUNSWDQPKD-NPQIQWPPSA-N 1 1 276.380 2.529 50 0 CFAAMO CC(C)(C)n1cc(C[NH2+][C@@H](CO)c2ccsc2)cn1 ZINC000349611988 381972476 /nfs/dbraw/zinc/97/24/76/381972476.db2.gz PWMVHIDQKFDFBD-ZDUSSCGKSA-N 1 1 279.409 2.523 50 0 CFAAMO CCc1ccccc1C[N@H+]1CC[C@]2(OC)CC[C@H](O)C[C@H]12 ZINC000299785918 382048917 /nfs/dbraw/zinc/04/89/17/382048917.db2.gz UYWLFUXLRNZURD-OKZBNKHCSA-N 1 1 289.419 2.753 50 0 CFAAMO C1=C(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CCCC1 ZINC000328597633 382551655 /nfs/dbraw/zinc/55/16/55/382551655.db2.gz IGPYNGFFKXEVHG-HNNXBMFYSA-N 1 1 286.423 2.904 50 0 CFAAMO Cc1cnc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 ZINC000192144796 382705113 /nfs/dbraw/zinc/70/51/13/382705113.db2.gz RLWKNRFZBKMYTE-ZFWWWQNUSA-N 1 1 294.301 2.881 50 0 CFAAMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccnc(N)c2)cc1 ZINC000193457877 382719943 /nfs/dbraw/zinc/71/99/43/382719943.db2.gz WKVOZTQVSXSPIU-AWEZNQCLSA-N 1 1 299.418 2.983 50 0 CFAAMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000195530380 382769054 /nfs/dbraw/zinc/76/90/54/382769054.db2.gz UUDYFMYWVPSFCC-KGLIPLIRSA-N 1 1 272.396 2.701 50 0 CFAAMO CCn1cc(C[N@@H+]2CC[C@H](n3c(C)cnc3C3CC3)C2)cn1 ZINC000575547949 382773812 /nfs/dbraw/zinc/77/38/12/382773812.db2.gz AZHZNBCJNWIXQO-INIZCTEOSA-N 1 1 299.422 2.732 50 0 CFAAMO CCn1cc(C[N@H+]2CC[C@H](n3c(C)cnc3C3CC3)C2)cn1 ZINC000575547949 382773813 /nfs/dbraw/zinc/77/38/13/382773813.db2.gz AZHZNBCJNWIXQO-INIZCTEOSA-N 1 1 299.422 2.732 50 0 CFAAMO COc1ccc(C[N@@H+](C)C2CCOCC2)c(Cl)c1OC ZINC000215054336 382777671 /nfs/dbraw/zinc/77/76/71/382777671.db2.gz OJEYLGLOUHQVEH-UHFFFAOYSA-N 1 1 299.798 2.968 50 0 CFAAMO CC[N@H+](CCn1cccn1)Cc1csc(C(C)=O)c1 ZINC000215330988 382778508 /nfs/dbraw/zinc/77/85/08/382778508.db2.gz YUOSFRXSWUMMIJ-UHFFFAOYSA-N 1 1 277.393 2.669 50 0 CFAAMO CC[N@@H+](CCn1cccn1)Cc1csc(C(C)=O)c1 ZINC000215330988 382778510 /nfs/dbraw/zinc/77/85/10/382778510.db2.gz YUOSFRXSWUMMIJ-UHFFFAOYSA-N 1 1 277.393 2.669 50 0 CFAAMO C[C@@H](c1ccncn1)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215523870 382778966 /nfs/dbraw/zinc/77/89/66/382778966.db2.gz MAFKZCANCMGGFU-NSHDSACASA-N 1 1 283.335 2.653 50 0 CFAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215523870 382778968 /nfs/dbraw/zinc/77/89/68/382778968.db2.gz MAFKZCANCMGGFU-NSHDSACASA-N 1 1 283.335 2.653 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+](C)CCCc1nccn1C ZINC000215583330 382779486 /nfs/dbraw/zinc/77/94/86/382779486.db2.gz PBZYFYIQKHYILO-UHFFFAOYSA-N 1 1 275.371 2.932 50 0 CFAAMO CO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000215628435 382779865 /nfs/dbraw/zinc/77/98/65/382779865.db2.gz OLYYGMRTIVBEKS-SFHVURJKSA-N 1 1 298.386 2.881 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2OC)C1 ZINC000215866626 382780900 /nfs/dbraw/zinc/78/09/00/382780900.db2.gz WYOAQMIQFHAGOG-LLVKDONJSA-N 1 1 299.798 2.826 50 0 CFAAMO CCCc1ccc(C[N@H+](C)CCN2CCCCC2=O)o1 ZINC000216089952 382782070 /nfs/dbraw/zinc/78/20/70/382782070.db2.gz FTXOBMXISUUYIL-UHFFFAOYSA-N 1 1 278.396 2.676 50 0 CFAAMO CCCc1ccc(C[N@@H+](C)CCN2CCCCC2=O)o1 ZINC000216089952 382782072 /nfs/dbraw/zinc/78/20/72/382782072.db2.gz FTXOBMXISUUYIL-UHFFFAOYSA-N 1 1 278.396 2.676 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)CCc2c(C)n[nH]c2C)cs1 ZINC000216251386 382782592 /nfs/dbraw/zinc/78/25/92/382782592.db2.gz WPLGPAIUTKHFSP-UHFFFAOYSA-N 1 1 291.420 2.965 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)CCc2c(C)n[nH]c2C)cs1 ZINC000216251386 382782594 /nfs/dbraw/zinc/78/25/94/382782594.db2.gz WPLGPAIUTKHFSP-UHFFFAOYSA-N 1 1 291.420 2.965 50 0 CFAAMO COc1cccc2c1OCCC[N@H+](Cc1cc(C)no1)C2 ZINC000216342114 382782977 /nfs/dbraw/zinc/78/29/77/382782977.db2.gz MNLSXRMQIUGKMW-UHFFFAOYSA-N 1 1 288.347 2.776 50 0 CFAAMO COc1cccc2c1OCCC[N@@H+](Cc1cc(C)no1)C2 ZINC000216342114 382782979 /nfs/dbraw/zinc/78/29/79/382782979.db2.gz MNLSXRMQIUGKMW-UHFFFAOYSA-N 1 1 288.347 2.776 50 0 CFAAMO C[N@@H+](CCc1nc2cc(Cl)ccc2[nH]1)C[C@@H]1CCOC1 ZINC000216309237 382783129 /nfs/dbraw/zinc/78/31/29/382783129.db2.gz RWAMNZWMNMGGQY-NSHDSACASA-N 1 1 293.798 2.727 50 0 CFAAMO C[N@H+](CCc1nc2ccc(Cl)cc2[nH]1)C[C@@H]1CCOC1 ZINC000216309237 382783130 /nfs/dbraw/zinc/78/31/30/382783130.db2.gz RWAMNZWMNMGGQY-NSHDSACASA-N 1 1 293.798 2.727 50 0 CFAAMO C[N@@H+](CCc1nc2ccc(Cl)cc2[nH]1)C[C@@H]1CCOC1 ZINC000216309237 382783132 /nfs/dbraw/zinc/78/31/32/382783132.db2.gz RWAMNZWMNMGGQY-NSHDSACASA-N 1 1 293.798 2.727 50 0 CFAAMO CCc1nnc(C[N@H+](CC)CC[C@H](C)SC)o1 ZINC000216366206 382783182 /nfs/dbraw/zinc/78/31/82/382783182.db2.gz DWRWSZPTHNSMOR-JTQLQIEISA-N 1 1 257.403 2.596 50 0 CFAAMO CCc1nnc(C[N@@H+](CC)CC[C@H](C)SC)o1 ZINC000216366206 382783183 /nfs/dbraw/zinc/78/31/83/382783183.db2.gz DWRWSZPTHNSMOR-JTQLQIEISA-N 1 1 257.403 2.596 50 0 CFAAMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(CC(C)C)s2)C1 ZINC000216517900 382784120 /nfs/dbraw/zinc/78/41/20/382784120.db2.gz QELOYLIAWOUHGH-ZDUSSCGKSA-N 1 1 280.437 2.657 50 0 CFAAMO C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@@H](CO)C1 ZINC000222130588 382801288 /nfs/dbraw/zinc/80/12/88/382801288.db2.gz QOOUGLHYKBEGKC-UONOGXRCSA-N 1 1 265.422 2.872 50 0 CFAAMO Cc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000222457667 382801876 /nfs/dbraw/zinc/80/18/76/382801876.db2.gz AXOOJLOJCMLUJF-WBVHZDCISA-N 1 1 277.408 2.604 50 0 CFAAMO COCC[N@@H+](Cc1ccc(Br)o1)C1CC1 ZINC000225394121 382815070 /nfs/dbraw/zinc/81/50/70/382815070.db2.gz KFGFXGUSDWCVIO-UHFFFAOYSA-N 1 1 274.158 2.653 50 0 CFAAMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc(F)c1 ZINC000225495731 382817188 /nfs/dbraw/zinc/81/71/88/382817188.db2.gz ZHVWFTUANXTCLZ-OAHLLOKOSA-N 1 1 276.355 2.572 50 0 CFAAMO CCS(=O)(=O)c1ccc(CNc2cc(C)cc[nH+]2)cc1 ZINC000225552015 382818144 /nfs/dbraw/zinc/81/81/44/382818144.db2.gz LBZHYWQMBORYMI-UHFFFAOYSA-N 1 1 290.388 2.796 50 0 CFAAMO CCOC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000229351522 382851283 /nfs/dbraw/zinc/85/12/83/382851283.db2.gz VWUDWBMFYYVTBC-BPLDGKMQSA-N 1 1 281.396 2.758 50 0 CFAAMO CCc1ccc(C[N@H+](C)CN2C(=O)C[C@H](C)[C@H]2C)cc1 ZINC000230164388 382856827 /nfs/dbraw/zinc/85/68/27/382856827.db2.gz OXJLGRMMURWXKF-UONOGXRCSA-N 1 1 274.408 2.895 50 0 CFAAMO CCc1ccc(C[N@@H+](C)CN2C(=O)C[C@H](C)[C@H]2C)cc1 ZINC000230164388 382856829 /nfs/dbraw/zinc/85/68/29/382856829.db2.gz OXJLGRMMURWXKF-UONOGXRCSA-N 1 1 274.408 2.895 50 0 CFAAMO CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C)C2)C1 ZINC000241965526 382984980 /nfs/dbraw/zinc/98/49/80/382984980.db2.gz UTMUREGGWMXHBR-RRFJBIMHSA-N 1 1 266.429 2.803 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000241776827 382985068 /nfs/dbraw/zinc/98/50/68/382985068.db2.gz RTAJWLIATTVDJQ-CHWSQXEVSA-N 1 1 282.428 2.974 50 0 CFAAMO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCSCC1 ZINC000244633522 382989130 /nfs/dbraw/zinc/98/91/30/382989130.db2.gz GEJMCLOYMLMLAN-CQSZACIVSA-N 1 1 263.406 2.818 50 0 CFAAMO CC[N@@H+](Cc1cc(OC)ccn1)[C@H]1CCOC(C)(C)C1 ZINC000244718673 382990889 /nfs/dbraw/zinc/99/08/89/382990889.db2.gz LOUTTYDXYZIUBP-AWEZNQCLSA-N 1 1 278.396 2.870 50 0 CFAAMO Cc1nc(C[N@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc(=O)[nH]1 ZINC000244715896 382991998 /nfs/dbraw/zinc/99/19/98/382991998.db2.gz LEEBQPTXNWSANP-CZUORRHYSA-N 1 1 275.396 2.891 50 0 CFAAMO Cc1cc2ccccc2n1CCN(C)C[C@@H]1CCC[N@H+]1C ZINC000244840340 382992658 /nfs/dbraw/zinc/99/26/58/382992658.db2.gz ULGZHJCFCJJDAO-KRWDZBQOSA-N 1 1 285.435 2.976 50 0 CFAAMO Cc1cc2ccccc2n1CC[N@@H+](C)C[C@@H]1CCCN1C ZINC000244840340 382992662 /nfs/dbraw/zinc/99/26/62/382992662.db2.gz ULGZHJCFCJJDAO-KRWDZBQOSA-N 1 1 285.435 2.976 50 0 CFAAMO Cc1cc2ccccc2n1CC[N@H+](C)C[C@@H]1CCCN1C ZINC000244840340 382992666 /nfs/dbraw/zinc/99/26/66/382992666.db2.gz ULGZHJCFCJJDAO-KRWDZBQOSA-N 1 1 285.435 2.976 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCN1Cc2cnc(C(C)(C)C)nc2C1 ZINC000244787729 382993312 /nfs/dbraw/zinc/99/33/12/382993312.db2.gz QCPMHCYRACPLRK-CQSZACIVSA-N 1 1 288.439 2.574 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)C1CCSCC1 ZINC000244811607 382993438 /nfs/dbraw/zinc/99/34/38/382993438.db2.gz SHSAUBIZFMUVCN-UHFFFAOYSA-N 1 1 267.442 2.787 50 0 CFAAMO CNc1nc(C[N@H+](C)CC[C@H](O)c2ccccc2)cs1 ZINC000244882538 382994538 /nfs/dbraw/zinc/99/45/38/382994538.db2.gz XTRGRBRDKIJZTM-AWEZNQCLSA-N 1 1 291.420 2.740 50 0 CFAAMO CNc1nc(C[N@@H+](C)CC[C@H](O)c2ccccc2)cs1 ZINC000244882538 382994540 /nfs/dbraw/zinc/99/45/40/382994540.db2.gz XTRGRBRDKIJZTM-AWEZNQCLSA-N 1 1 291.420 2.740 50 0 CFAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)NCc1ccccc1 ZINC000245237021 382996954 /nfs/dbraw/zinc/99/69/54/382996954.db2.gz BYKVMQDUMHOPGC-IRXDYDNUSA-N 1 1 286.419 2.815 50 0 CFAAMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000245316860 382997735 /nfs/dbraw/zinc/99/77/35/382997735.db2.gz KXZOWQMUCKZNNR-KCXAZCMYSA-N 1 1 288.391 2.594 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000245316860 382997741 /nfs/dbraw/zinc/99/77/41/382997741.db2.gz KXZOWQMUCKZNNR-KCXAZCMYSA-N 1 1 288.391 2.594 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1C ZINC000246152085 383064553 /nfs/dbraw/zinc/06/45/53/383064553.db2.gz SZIOYUUQRMSDON-YNEHKIRRSA-N 1 1 295.379 2.528 50 0 CFAAMO COCc1ccc(C[N@H+](C)Cc2ccns2)cc1 ZINC000585138125 383116649 /nfs/dbraw/zinc/11/66/49/383116649.db2.gz PEQPVUKASHETHF-UHFFFAOYSA-N 1 1 262.378 2.922 50 0 CFAAMO COCc1ccc(C[N@@H+](C)Cc2ccns2)cc1 ZINC000585138125 383116653 /nfs/dbraw/zinc/11/66/53/383116653.db2.gz PEQPVUKASHETHF-UHFFFAOYSA-N 1 1 262.378 2.922 50 0 CFAAMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000248144310 383214324 /nfs/dbraw/zinc/21/43/24/383214324.db2.gz RGBQDYQEZUMJJX-KKUMJFAQSA-N 1 1 292.810 2.654 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccccc1F ZINC000248148512 383214606 /nfs/dbraw/zinc/21/46/06/383214606.db2.gz SNGIBDXFNZKJDM-HUUCEWRRSA-N 1 1 276.355 2.525 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000248079624 383210316 /nfs/dbraw/zinc/21/03/16/383210316.db2.gz ABJHTZWHILESBO-IAGOWNOFSA-N 1 1 286.419 2.704 50 0 CFAAMO C[C@@H](CC[N@H+]1CCOC[C@]12CCOC2)c1ccccc1 ZINC000249394638 383343912 /nfs/dbraw/zinc/34/39/12/383343912.db2.gz BWWAZDMPKBZJHE-DOTOQJQBSA-N 1 1 275.392 2.672 50 0 CFAAMO C[C@H]1C[N@@H+](CCSCc2ccccc2)CC[C@H]1O ZINC000248724683 383285227 /nfs/dbraw/zinc/28/52/27/383285227.db2.gz HSOQKXXJDBRQPB-DZGCQCFKSA-N 1 1 265.422 2.623 50 0 CFAAMO Cc1nncn1CC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426493916 383402728 /nfs/dbraw/zinc/40/27/28/383402728.db2.gz DDYJCWQNWCDFJU-INIZCTEOSA-N 1 1 284.407 2.712 50 0 CFAAMO Brc1cncc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252711592 532979913 /nfs/dbraw/zinc/97/99/13/532979913.db2.gz JZYRIWOZBWKTRC-AAEUAGOBSA-N 1 1 296.212 2.883 50 0 CFAAMO Cc1[nH+]ccn1CCCNc1nc(C(F)(F)F)ns1 ZINC000253415446 383456396 /nfs/dbraw/zinc/45/63/96/383456396.db2.gz DHUWRDYZGDIUKZ-UHFFFAOYSA-N 1 1 291.302 2.564 50 0 CFAAMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nccc(N)n2)c1 ZINC000253427260 383458131 /nfs/dbraw/zinc/45/81/31/383458131.db2.gz XZWFACYWXOGZGQ-WFASDCNBSA-N 1 1 298.390 2.651 50 0 CFAAMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nccc(N)n2)c1 ZINC000253427260 383458135 /nfs/dbraw/zinc/45/81/35/383458135.db2.gz XZWFACYWXOGZGQ-WFASDCNBSA-N 1 1 298.390 2.651 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)NC(C)C)C2)n1C1CC1 ZINC000257185164 383492289 /nfs/dbraw/zinc/49/22/89/383492289.db2.gz WDBRWALWYDGAKR-CYBMUJFWSA-N 1 1 290.411 2.509 50 0 CFAAMO Cc1cc(C)cc([C@@H](O)CNC2CC[NH+](C(C)C)CC2)c1 ZINC000282525072 385334987 /nfs/dbraw/zinc/33/49/87/385334987.db2.gz UXQQIOUQCOCCFI-SFHVURJKSA-N 1 1 290.451 2.799 50 0 CFAAMO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000282525072 385334990 /nfs/dbraw/zinc/33/49/90/385334990.db2.gz UXQQIOUQCOCCFI-SFHVURJKSA-N 1 1 290.451 2.799 50 0 CFAAMO OC[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000110692811 285273135 /nfs/dbraw/zinc/27/31/35/285273135.db2.gz JMYJZCDPNOLWES-MLGOLLRUSA-N 1 1 263.356 2.907 50 0 CFAAMO O[C@H](C[N@@H+](C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000245339344 285348616 /nfs/dbraw/zinc/34/86/16/285348616.db2.gz SDVBRRUTFLVHJS-HZPDHXFCSA-N 1 1 279.355 2.503 50 0 CFAAMO O[C@H](C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000013140424 285350682 /nfs/dbraw/zinc/35/06/82/285350682.db2.gz HMDFHKCUQNUSEN-CHWSQXEVSA-N 1 1 273.298 2.994 50 0 CFAAMO c1ccc(-c2ccncc2)c(C[NH+]2CCOCC2)c1 ZINC000065370796 285465888 /nfs/dbraw/zinc/46/58/88/285465888.db2.gz DWCRCVPTNDMHJR-UHFFFAOYSA-N 1 1 254.333 2.581 50 0 CFAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC(C)C ZINC000016420538 393481212 /nfs/dbraw/zinc/48/12/12/393481212.db2.gz ZDERKOHEJJLPIL-GFCCVEGCSA-N 1 1 266.410 2.582 50 0 CFAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC(C)C ZINC000016420538 393481220 /nfs/dbraw/zinc/48/12/20/393481220.db2.gz ZDERKOHEJJLPIL-GFCCVEGCSA-N 1 1 266.410 2.582 50 0 CFAAMO Cc1ccc(NC2=[NH+]C3(CCCCC3)NC(=N)N2)cc1C ZINC000000203731 393450075 /nfs/dbraw/zinc/45/00/75/393450075.db2.gz CJTUQGMZJPMVQS-UHFFFAOYSA-N 1 1 285.395 2.650 50 0 CFAAMO C1C[C@@H]2CN(C3C4CC5CC(C4)CC3C5)CC[N@H+]2C1 ZINC000019637772 393483286 /nfs/dbraw/zinc/48/32/86/393483286.db2.gz KWORYKSPKDSKKG-OBYDGYHJSA-N 1 1 260.425 2.591 50 0 CFAAMO CC(C)C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N2c1cccc(Cl)c1 ZINC000015003714 393479482 /nfs/dbraw/zinc/47/94/82/393479482.db2.gz ALRSMMULEBSMJV-KBPBESRZSA-N 1 1 278.783 2.786 50 0 CFAAMO CC(C)C[N@H+]1C[C@@H]2C[C@H]1C(=O)N2c1cccc(Cl)c1 ZINC000015003714 393479487 /nfs/dbraw/zinc/47/94/87/393479487.db2.gz ALRSMMULEBSMJV-KBPBESRZSA-N 1 1 278.783 2.786 50 0 CFAAMO Cc1cccc([C@@H](C(=O)N(C)Cc2ccco2)[NH+](C)C)c1 ZINC000065535091 393630886 /nfs/dbraw/zinc/63/08/86/393630886.db2.gz GKZCXSWXSUYYGT-INIZCTEOSA-N 1 1 286.375 2.849 50 0 CFAAMO COCC[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000218954193 393759170 /nfs/dbraw/zinc/75/91/70/393759170.db2.gz BYVJBNKSTZSUHF-ZDUSSCGKSA-N 1 1 253.342 2.599 50 0 CFAAMO Cc1c[nH+]c(N)nc1N1CC[C@H](c2ccccc2F)C1 ZINC000091536088 393784306 /nfs/dbraw/zinc/78/43/06/393784306.db2.gz DDARQEABRYOIQL-NSHDSACASA-N 1 1 272.327 2.500 50 0 CFAAMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000093444165 393799452 /nfs/dbraw/zinc/79/94/52/393799452.db2.gz JFTSNYJVJZHMNO-ZDUSSCGKSA-N 1 1 266.410 2.858 50 0 CFAAMO CC(C)c1cc(N2CCC[C@@]3(CC[N@@H+](C)C3)C2)ncn1 ZINC000095388109 393811817 /nfs/dbraw/zinc/81/18/17/393811817.db2.gz UKTCJWKGPWOXOJ-INIZCTEOSA-N 1 1 274.412 2.522 50 0 CFAAMO CCCCC[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000095462696 393812734 /nfs/dbraw/zinc/81/27/34/393812734.db2.gz TXEIZAZCNWXQIE-IYBDPMFKSA-N 1 1 268.445 2.750 50 0 CFAAMO Cc1nc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)cs1 ZINC000095991149 393814751 /nfs/dbraw/zinc/81/47/51/393814751.db2.gz KQXWJHKFXGRZJS-XGTXGMFGSA-N 1 1 296.436 2.863 50 0 CFAAMO NC(=O)C[C@H]1CCCC[N@H+]1CCSc1ccccc1 ZINC000096410314 393823890 /nfs/dbraw/zinc/82/38/90/393823890.db2.gz FTEBATCMKOHTLQ-CYBMUJFWSA-N 1 1 278.421 2.509 50 0 CFAAMO COc1cccc(C[N@H+]2CC[C@H](CSC)C2)c1 ZINC000096417916 393826208 /nfs/dbraw/zinc/82/62/08/393826208.db2.gz JKSNOEZEKAQGID-ZDUSSCGKSA-N 1 1 251.395 2.880 50 0 CFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096432447 393832853 /nfs/dbraw/zinc/83/28/53/393832853.db2.gz BITXAXUFNWRKTG-CYBMUJFWSA-N 1 1 285.391 2.582 50 0 CFAAMO Cc1ccc2ncccc2c1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000097334261 393840204 /nfs/dbraw/zinc/84/02/04/393840204.db2.gz ZIMNBVNASPGQEL-CQSZACIVSA-N 1 1 297.402 2.773 50 0 CFAAMO Clc1ccc2c(c1)C[N@H+](C[C@@H]1CCCOC1)CCO2 ZINC000252510107 393937066 /nfs/dbraw/zinc/93/70/66/393937066.db2.gz ZBLQPZZJSPRXBX-LBPRGKRZSA-N 1 1 281.783 2.961 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)nn1 ZINC000283021621 394128918 /nfs/dbraw/zinc/12/89/18/394128918.db2.gz GXDFJFAOWFCMRQ-BBRMVZONSA-N 1 1 283.375 2.863 50 0 CFAAMO CCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000080976466 135002651 /nfs/dbraw/zinc/00/26/51/135002651.db2.gz WRMWYTPFRHXEBC-NSHDSACASA-N 1 1 281.787 2.620 50 0 CFAAMO Cc1ccc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)nn1 ZINC000082109084 135004620 /nfs/dbraw/zinc/00/46/20/135004620.db2.gz DJIBLDBDZQLVIM-HNNXBMFYSA-N 1 1 297.406 2.776 50 0 CFAAMO Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)nn1 ZINC000082109085 135004796 /nfs/dbraw/zinc/00/47/96/135004796.db2.gz DJIBLDBDZQLVIM-OAHLLOKOSA-N 1 1 297.406 2.776 50 0 CFAAMO Cc1nc(NC2=[NH+]C(C)(C)C=C(C)N2)nc2ccccc12 ZINC000575443669 395090618 /nfs/dbraw/zinc/09/06/18/395090618.db2.gz HAGPVMDMMZNVNH-UHFFFAOYSA-N 1 1 281.363 2.992 50 0 CFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CC=CCC1 ZINC000047174659 543086668 /nfs/dbraw/zinc/08/66/68/543086668.db2.gz SEEHMYGKIHLWAD-ZDUSSCGKSA-N 1 1 282.347 2.871 50 0 CFAAMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000046878571 397582729 /nfs/dbraw/zinc/58/27/29/397582729.db2.gz WHHYIOGEPCKCHH-LLVKDONJSA-N 1 1 280.437 2.827 50 0 CFAAMO FC(F)(F)Oc1ccccc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000012243828 397538070 /nfs/dbraw/zinc/53/80/70/397538070.db2.gz HKXJDKJXHXHBBN-LLVKDONJSA-N 1 1 283.253 2.543 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)C[C@H](C)C(F)(F)F ZINC000216462183 397620288 /nfs/dbraw/zinc/62/02/88/397620288.db2.gz VCXVUNPIJGUBGT-QMMMGPOBSA-N 1 1 263.307 2.699 50 0 CFAAMO CNc1nc(C[N@H+](C)CCc2ccccc2)cs1 ZINC000252485461 397628456 /nfs/dbraw/zinc/62/84/56/397628456.db2.gz GWAYPADMPLMOQT-UHFFFAOYSA-N 1 1 261.394 2.859 50 0 CFAAMO CNc1nc(C[N@@H+](C)CCc2ccccc2)cs1 ZINC000252485461 397628458 /nfs/dbraw/zinc/62/84/58/397628458.db2.gz GWAYPADMPLMOQT-UHFFFAOYSA-N 1 1 261.394 2.859 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C)C ZINC000001321784 292354264 /nfs/dbraw/zinc/35/42/64/292354264.db2.gz LSKOBBMGJQZPPY-HOCLYGCPSA-N 1 1 272.392 2.785 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@H]1C ZINC000239782586 292354431 /nfs/dbraw/zinc/35/44/31/292354431.db2.gz CPLGFGVZGNQBRG-RMRKRWHISA-N 1 1 284.403 2.785 50 0 CFAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000004745158 170010250 /nfs/dbraw/zinc/01/02/50/170010250.db2.gz SMXVTZJXOQAMLM-QGZVFWFLSA-N 1 1 286.419 2.829 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@H](CO)C2)c(C)c1C ZINC000004948443 170044584 /nfs/dbraw/zinc/04/45/84/170044584.db2.gz LNOWMJVGFPZKPL-AWEZNQCLSA-N 1 1 263.381 2.516 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000004977799 170047933 /nfs/dbraw/zinc/04/79/33/170047933.db2.gz ZHJZXADIBCJIRW-HNNXBMFYSA-N 1 1 261.365 2.913 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000004977799 170047934 /nfs/dbraw/zinc/04/79/34/170047934.db2.gz ZHJZXADIBCJIRW-HNNXBMFYSA-N 1 1 261.365 2.913 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000005542852 170111211 /nfs/dbraw/zinc/11/12/11/170111211.db2.gz GVGACXDUCLLTDE-NSHDSACASA-N 1 1 279.771 2.563 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000005542852 170111213 /nfs/dbraw/zinc/11/12/13/170111213.db2.gz GVGACXDUCLLTDE-NSHDSACASA-N 1 1 279.771 2.563 50 0 CFAAMO COc1ccccc1C(=O)O[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000005730025 170134587 /nfs/dbraw/zinc/13/45/87/170134587.db2.gz KTZCSPSWFXRDPE-SLEUVZQESA-N 1 1 277.364 2.581 50 0 CFAAMO CCCC[N@@H+](CC)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000005938925 170159243 /nfs/dbraw/zinc/15/92/43/170159243.db2.gz DIEPIFIUWYBJAB-MRXNPFEDSA-N 1 1 293.407 2.751 50 0 CFAAMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000006742349 170238014 /nfs/dbraw/zinc/23/80/14/170238014.db2.gz BYCANJZNVQQBMF-CYBMUJFWSA-N 1 1 276.380 2.756 50 0 CFAAMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000006996376 170260765 /nfs/dbraw/zinc/26/07/65/170260765.db2.gz CKDSLRYVWLKERY-HOTGVXAUSA-N 1 1 277.408 2.918 50 0 CFAAMO Cc1csc2nc(C[N@@H+](C)Cc3ccccc3)cc(=O)n12 ZINC000007007181 170261995 /nfs/dbraw/zinc/26/19/95/170261995.db2.gz LHSUNSYENNMAKM-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000007787645 170303295 /nfs/dbraw/zinc/30/32/95/170303295.db2.gz JJNBIVGIPGQULH-SNVBAGLBSA-N 1 1 268.307 2.635 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000007787645 170303296 /nfs/dbraw/zinc/30/32/96/170303296.db2.gz JJNBIVGIPGQULH-SNVBAGLBSA-N 1 1 268.307 2.635 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)C[NH+]1CCCCC1 ZINC000009096024 170363493 /nfs/dbraw/zinc/36/34/93/170363493.db2.gz WHBPWDBJPCRSOJ-UHFFFAOYSA-N 1 1 250.317 2.559 50 0 CFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000009530798 170380606 /nfs/dbraw/zinc/38/06/06/170380606.db2.gz JNYWCJVGQRGAPR-GFCCVEGCSA-N 1 1 290.388 2.908 50 0 CFAAMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000009998250 170393900 /nfs/dbraw/zinc/39/39/00/170393900.db2.gz XQHSYWBRRQNTPF-LBPRGKRZSA-N 1 1 292.379 2.517 50 0 CFAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000009998250 170393901 /nfs/dbraw/zinc/39/39/01/170393901.db2.gz XQHSYWBRRQNTPF-LBPRGKRZSA-N 1 1 292.379 2.517 50 0 CFAAMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000009998249 170394129 /nfs/dbraw/zinc/39/41/29/170394129.db2.gz XQHSYWBRRQNTPF-GFCCVEGCSA-N 1 1 292.379 2.517 50 0 CFAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000009998249 170394131 /nfs/dbraw/zinc/39/41/31/170394131.db2.gz XQHSYWBRRQNTPF-GFCCVEGCSA-N 1 1 292.379 2.517 50 0 CFAAMO CCCCNC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000020582952 171257638 /nfs/dbraw/zinc/25/76/38/171257638.db2.gz KFDZDUAOBVQDEQ-UHFFFAOYSA-N 1 1 289.423 2.622 50 0 CFAAMO COC[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000020600842 171266282 /nfs/dbraw/zinc/26/62/82/171266282.db2.gz QLIXWKCOISIUTQ-GFCCVEGCSA-N 1 1 269.772 2.687 50 0 CFAAMO CC[NH+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000020621968 171267887 /nfs/dbraw/zinc/26/78/87/171267887.db2.gz SMQMTCAWHQTYMT-UHFFFAOYSA-N 1 1 299.418 2.655 50 0 CFAAMO O=Cc1cc(Cl)ccc1OCCCC[NH+]1CCOCC1 ZINC000020639531 171269032 /nfs/dbraw/zinc/26/90/32/171269032.db2.gz PMXPEGDBKFZVFD-UHFFFAOYSA-N 1 1 297.782 2.644 50 0 CFAAMO CCCOc1ccccc1OCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020639481 171269098 /nfs/dbraw/zinc/26/90/98/171269098.db2.gz GKUVMAVOETWVAD-HUUCEWRRSA-N 1 1 293.407 2.963 50 0 CFAAMO CCCOc1ccccc1OCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020639478 171269111 /nfs/dbraw/zinc/26/91/11/171269111.db2.gz GKUVMAVOETWVAD-GJZGRUSLSA-N 1 1 293.407 2.963 50 0 CFAAMO Cc1[nH+]ccn1CCc1nc(-c2cccc3[nH]ccc32)no1 ZINC000020775556 171272053 /nfs/dbraw/zinc/27/20/53/171272053.db2.gz RICQYGRELAXGCL-UHFFFAOYSA-N 1 1 293.330 2.966 50 0 CFAAMO COc1ccccc1CC[N@H+](C)CCN1CCCCC1 ZINC000022450377 171387541 /nfs/dbraw/zinc/38/75/41/171387541.db2.gz GXLIVHCIFCNKOM-UHFFFAOYSA-N 1 1 276.424 2.655 50 0 CFAAMO COc1ccccc1CC[N@@H+](C)CCN1CCCCC1 ZINC000022450377 171387543 /nfs/dbraw/zinc/38/75/43/171387543.db2.gz GXLIVHCIFCNKOM-UHFFFAOYSA-N 1 1 276.424 2.655 50 0 CFAAMO Cc1csc2nc(C[N@H+](C)[C@H](C)C(C)(C)C)cc(=O)n12 ZINC000027134192 171508487 /nfs/dbraw/zinc/50/84/87/171508487.db2.gz XWSLKOIKFHWYBK-LLVKDONJSA-N 1 1 293.436 2.931 50 0 CFAAMO C[C@H]([NH2+]Cc1n[nH]cc1Br)C(C)(C)C(F)F ZINC000657887649 414029969 /nfs/dbraw/zinc/02/99/69/414029969.db2.gz DWAIATQMTJKHAQ-LURJTMIESA-N 1 1 296.159 2.942 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000037213893 173034561 /nfs/dbraw/zinc/03/45/61/173034561.db2.gz XAXNXLBSMDJJLK-CQSZACIVSA-N 1 1 288.395 2.552 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000037213893 173034562 /nfs/dbraw/zinc/03/45/62/173034562.db2.gz XAXNXLBSMDJJLK-CQSZACIVSA-N 1 1 288.395 2.552 50 0 CFAAMO N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000037246949 173060086 /nfs/dbraw/zinc/06/00/86/173060086.db2.gz WXBOUFZFJFRVCW-IAGOWNOFSA-N 1 1 252.361 2.613 50 0 CFAAMO N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000037246949 173060090 /nfs/dbraw/zinc/06/00/90/173060090.db2.gz WXBOUFZFJFRVCW-IAGOWNOFSA-N 1 1 252.361 2.613 50 0 CFAAMO Nc1[nH+]c(-c2ccccc2)cn1NCc1ccccc1 ZINC000038526348 174144357 /nfs/dbraw/zinc/14/43/57/174144357.db2.gz WZEXVTCTFSPTGX-UHFFFAOYSA-N 1 1 264.332 2.876 50 0 CFAAMO COc1ccc(C[NH+]2CCN(CC=C(C)C)CC2)cc1 ZINC000039992545 174182009 /nfs/dbraw/zinc/18/20/09/174182009.db2.gz LEKKCFAWUHPHFF-UHFFFAOYSA-N 1 1 274.408 2.779 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1cccc(F)c1 ZINC000040107543 174192135 /nfs/dbraw/zinc/19/21/35/174192135.db2.gz ZPVQWWFWPSTENF-VFNNOXKTSA-N 1 1 290.382 2.830 50 0 CFAAMO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2nccs2)o1 ZINC000040451582 174266115 /nfs/dbraw/zinc/26/61/15/174266115.db2.gz SXLOBUCGFHMYDT-UHFFFAOYSA-N 1 1 274.349 2.724 50 0 CFAAMO COc1ccc(C[N@H+](C)Cc2cc(C)no2)cc1OC ZINC000040475858 174282204 /nfs/dbraw/zinc/28/22/04/174282204.db2.gz QLHPSFRUOBBAQT-UHFFFAOYSA-N 1 1 276.336 2.632 50 0 CFAAMO COc1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1OC ZINC000040475858 174282206 /nfs/dbraw/zinc/28/22/06/174282206.db2.gz QLHPSFRUOBBAQT-UHFFFAOYSA-N 1 1 276.336 2.632 50 0 CFAAMO Cn1cc(C[NH2+]Cc2ccccc2OC(F)(F)F)cn1 ZINC000040476573 174282768 /nfs/dbraw/zinc/28/27/68/174282768.db2.gz ZTJIMYQHRHBTBX-UHFFFAOYSA-N 1 1 285.269 2.609 50 0 CFAAMO C[NH2+]C[C@H]1CCCN([C@@H](C)c2cccc(OC)c2)C1 ZINC000040592873 174347971 /nfs/dbraw/zinc/34/79/71/174347971.db2.gz RRFBGSKHALYDPT-UONOGXRCSA-N 1 1 262.397 2.688 50 0 CFAAMO CSc1ccc(-c2nc(C[N@H+](C)CCO)c(C)o2)cc1 ZINC000071575678 176203200 /nfs/dbraw/zinc/20/32/00/176203200.db2.gz ZOVARHHSHBPUOE-UHFFFAOYSA-N 1 1 292.404 2.796 50 0 CFAAMO CSc1ccc(-c2nc(C[N@@H+](C)CCO)c(C)o2)cc1 ZINC000071575678 176203202 /nfs/dbraw/zinc/20/32/02/176203202.db2.gz ZOVARHHSHBPUOE-UHFFFAOYSA-N 1 1 292.404 2.796 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNc1nc(C)cc(C2CCC2)n1 ZINC000071576098 176203794 /nfs/dbraw/zinc/20/37/94/176203794.db2.gz PZKGHTPZPDPTTQ-AWEZNQCLSA-N 1 1 274.412 2.949 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000071870677 176283867 /nfs/dbraw/zinc/28/38/67/176283867.db2.gz NDBJHNNNPMEPGL-LSDHHAIUSA-N 1 1 287.407 2.965 50 0 CFAAMO Cc1nc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)oc1C ZINC000071875301 176285089 /nfs/dbraw/zinc/28/50/89/176285089.db2.gz NIZSRBLDPNUMDU-AWEZNQCLSA-N 1 1 274.368 2.543 50 0 CFAAMO Cc1nc(C[N@H+]2CCCC[C@H]2Cn2cccn2)oc1C ZINC000071875301 176285092 /nfs/dbraw/zinc/28/50/92/176285092.db2.gz NIZSRBLDPNUMDU-AWEZNQCLSA-N 1 1 274.368 2.543 50 0 CFAAMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000071915683 176299048 /nfs/dbraw/zinc/29/90/48/176299048.db2.gz QMGQKLUDQDASHZ-HOTGVXAUSA-N 1 1 281.371 2.750 50 0 CFAAMO CC(C)c1nccc(C[NH+]2CC(c3cccnc3)C2)n1 ZINC000072130974 176321564 /nfs/dbraw/zinc/32/15/64/176321564.db2.gz NHXLGIQXBVHGOZ-UHFFFAOYSA-N 1 1 268.364 2.594 50 0 CFAAMO CC[C@H]1CN(Cc2ncccc2F)CC[N@H+]1C(C)C ZINC000072146081 176324931 /nfs/dbraw/zinc/32/49/31/176324931.db2.gz CZBOIZFTJDMIAQ-ZDUSSCGKSA-N 1 1 265.376 2.525 50 0 CFAAMO c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3nonc32)nc1 ZINC000072146608 176324937 /nfs/dbraw/zinc/32/49/37/176324937.db2.gz FLKCLJOKBYWQNW-HNNXBMFYSA-N 1 1 280.331 2.955 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C)C2)C1 ZINC000072274365 176355550 /nfs/dbraw/zinc/35/55/50/176355550.db2.gz SYJUHBGPAAYFTM-GJZGRUSLSA-N 1 1 281.444 2.548 50 0 CFAAMO CC(C)c1cnc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000072282335 176359283 /nfs/dbraw/zinc/35/92/83/176359283.db2.gz SHDORJQGHAIKIL-LBPRGKRZSA-N 1 1 274.368 2.901 50 0 CFAAMO CC(C)c1cnc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000072282335 176359284 /nfs/dbraw/zinc/35/92/84/176359284.db2.gz SHDORJQGHAIKIL-LBPRGKRZSA-N 1 1 274.368 2.901 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H]1CCc1cc(Cl)ncn1 ZINC000072343865 176372235 /nfs/dbraw/zinc/37/22/35/176372235.db2.gz WJWYICPOXHNXFC-GFCCVEGCSA-N 1 1 253.777 2.935 50 0 CFAAMO Cc1ccc(C[N@H+](CCCS(C)(=O)=O)C2CC2)cc1C ZINC000077361212 177257855 /nfs/dbraw/zinc/25/78/55/177257855.db2.gz KHHKLXSTMDILME-UHFFFAOYSA-N 1 1 295.448 2.703 50 0 CFAAMO Cc1ccc(C[N@@H+](CCCS(C)(=O)=O)C2CC2)cc1C ZINC000077361212 177257857 /nfs/dbraw/zinc/25/78/57/177257857.db2.gz KHHKLXSTMDILME-UHFFFAOYSA-N 1 1 295.448 2.703 50 0 CFAAMO O=C(C[NH+]1CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000014152866 260079004 /nfs/dbraw/zinc/07/90/04/260079004.db2.gz XPDJGEABSRIBKH-UHFFFAOYSA-N 1 1 272.270 2.740 50 0 CFAAMO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000026219683 260131338 /nfs/dbraw/zinc/13/13/38/260131338.db2.gz RVGMFEAMNLIFLD-CZUORRHYSA-N 1 1 268.360 2.872 50 0 CFAAMO Nc1cc[nH+]c(NCC2(c3ccccc3)CCCC2)n1 ZINC000827578483 782038591 /nfs/dbraw/zinc/03/85/91/782038591.db2.gz MUTNGJILHGHTPI-UHFFFAOYSA-N 1 1 268.364 2.983 50 0 CFAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccoc2)C1)C1CCCC1 ZINC000827720664 782042119 /nfs/dbraw/zinc/04/21/19/782042119.db2.gz IMXAUYVZLMIAOE-CQSZACIVSA-N 1 1 290.407 2.798 50 0 CFAAMO Cc1nc(N2CC[NH+](C)CC2)sc1-c1ccccc1 ZINC000006584026 274841310 /nfs/dbraw/zinc/84/13/10/274841310.db2.gz SQUDPRPDMQWAEG-UHFFFAOYSA-N 1 1 273.405 2.870 50 0 CFAAMO O=C(c1ccoc1)N1CCC[N@@H+](C[C@H]2CC=CCC2)CC1 ZINC000371412767 275014743 /nfs/dbraw/zinc/01/47/43/275014743.db2.gz XXULMRJVERPVCN-HNNXBMFYSA-N 1 1 288.391 2.784 50 0 CFAAMO CCN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000053150748 276089741 /nfs/dbraw/zinc/08/97/41/276089741.db2.gz PMHSHDNRBVQKAO-NSHDSACASA-N 1 1 266.410 2.536 50 0 CFAAMO CCN(CC)C(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000053150748 276089742 /nfs/dbraw/zinc/08/97/42/276089742.db2.gz PMHSHDNRBVQKAO-NSHDSACASA-N 1 1 266.410 2.536 50 0 CFAAMO CCOC(=O)C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253392227 276278716 /nfs/dbraw/zinc/27/87/16/276278716.db2.gz NMEQGSJOIDVXSA-HUUCEWRRSA-N 1 1 295.354 2.541 50 0 CFAAMO CCOC(=O)C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253392227 276278718 /nfs/dbraw/zinc/27/87/18/276278718.db2.gz NMEQGSJOIDVXSA-HUUCEWRRSA-N 1 1 295.354 2.541 50 0 CFAAMO CCSCC[N@H+]1CCC=C([C@@H]2CCCCN2C(C)=O)C1 ZINC000065456936 276394838 /nfs/dbraw/zinc/39/48/38/276394838.db2.gz KTYRCCVFTMRDOY-INIZCTEOSA-N 1 1 296.480 2.773 50 0 CFAAMO C[NH+](C)CCNc1c(C(=O)[O-])c[nH+]c2ccc(Cl)cc21 ZINC000004226244 276791537 /nfs/dbraw/zinc/79/15/37/276791537.db2.gz JFCKDLXKHIMGAS-UHFFFAOYSA-N 1 1 293.754 2.560 50 0 CFAAMO C[NH+]1CCC(N[C@@H]2CSCCc3ccccc32)CC1 ZINC000095419522 277031415 /nfs/dbraw/zinc/03/14/15/277031415.db2.gz JQZRKBSEVSMCOJ-MRXNPFEDSA-N 1 1 276.449 2.701 50 0 CFAAMO C[NH+]1CCC(N[C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000097016446 277031599 /nfs/dbraw/zinc/03/15/99/277031599.db2.gz IFJLIBXFYDBRMV-AWEZNQCLSA-N 1 1 262.397 2.977 50 0 CFAAMO C[N@@H+]1CCN(C(=O)Cc2ccccc2)c2ccccc2C1 ZINC000069582121 277091178 /nfs/dbraw/zinc/09/11/78/277091178.db2.gz NNBFRYKQIIDMMJ-UHFFFAOYSA-N 1 1 280.371 2.708 50 0 CFAAMO C[N@H+]1CCN(C(=O)Cc2ccccc2)c2ccccc2C1 ZINC000069582121 277091179 /nfs/dbraw/zinc/09/11/79/277091179.db2.gz NNBFRYKQIIDMMJ-UHFFFAOYSA-N 1 1 280.371 2.708 50 0 CFAAMO CS[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC(C)C)CC1 ZINC000095968630 278144506 /nfs/dbraw/zinc/14/45/06/278144506.db2.gz CNTSAFSVTBXPHM-LSDHHAIUSA-N 1 1 270.486 2.981 50 0 CFAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000075921863 278163100 /nfs/dbraw/zinc/16/31/00/278163100.db2.gz QRJJLLHDFYKSKX-KGLIPLIRSA-N 1 1 284.469 2.605 50 0 CFAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000367427278 279276088 /nfs/dbraw/zinc/27/60/88/279276088.db2.gz XVMNICZVGWKCFK-AWEZNQCLSA-N 1 1 264.413 2.654 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005019677 279332248 /nfs/dbraw/zinc/33/22/48/279332248.db2.gz MWRYYURFNBRCQG-KUNBBXKYSA-N 1 1 290.451 2.803 50 0 CFAAMO CCCc1csc([C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000252714464 281077113 /nfs/dbraw/zinc/07/71/13/281077113.db2.gz SAWBXOOBAGSBFA-RYUDHWBXSA-N 1 1 252.383 2.631 50 0 CFAAMO Cc1cccc(C(C)C)c1NC(=O)N1CC[NH+](C)CC1 ZINC000040526122 281199500 /nfs/dbraw/zinc/19/95/00/281199500.db2.gz HJTOGVWIZGDDGQ-UHFFFAOYSA-N 1 1 275.396 2.898 50 0 CFAAMO Cc1cccc(N[C@H](C)C(=O)N2CCCC[C@H]2C)[nH+]1 ZINC000157362049 281248257 /nfs/dbraw/zinc/24/82/57/281248257.db2.gz QZOCZWUHMPESQS-CHWSQXEVSA-N 1 1 261.369 2.591 50 0 CFAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNc2ccncn2)C1 ZINC000091745995 281366210 /nfs/dbraw/zinc/36/62/10/281366210.db2.gz IIBFEKKRCMHWKH-OAHLLOKOSA-N 1 1 282.391 2.686 50 0 CFAAMO Cc1n[nH]c(C)c1CNCCC[N@H+](C)C1CCCCC1 ZINC000037901174 293099116 /nfs/dbraw/zinc/09/91/16/293099116.db2.gz NTFJAMQXKRZMOZ-UHFFFAOYSA-N 1 1 278.444 2.771 50 0 CFAAMO COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2CC(OC)OC)cc1 ZINC000225450561 295250300 /nfs/dbraw/zinc/25/03/00/295250300.db2.gz ORUILKNKMRCGHV-IUODEOHRSA-N 1 1 279.380 2.697 50 0 CFAAMO Cn1cccc1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000097095403 323617901 /nfs/dbraw/zinc/61/79/01/323617901.db2.gz BGNKCEUUGPNRJP-CYBMUJFWSA-N 1 1 290.329 2.550 50 0 CFAAMO O=C(CCc1cnc[nH]1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000189224725 324026396 /nfs/dbraw/zinc/02/63/96/324026396.db2.gz GWTLWJRPSKCHGF-UHFFFAOYSA-N 1 1 283.331 2.500 50 0 CFAAMO O=C1N=NCN1C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000582554299 325214747 /nfs/dbraw/zinc/21/47/47/325214747.db2.gz IXFJWIIOBKNJOO-UHFFFAOYSA-N 1 1 298.799 2.536 50 0 CFAAMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nc1 ZINC000239761755 524685184 /nfs/dbraw/zinc/68/51/84/524685184.db2.gz CKKCVODFYGOXNA-JSGCOSHPSA-N 1 1 279.815 2.794 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CCCCO2)on1 ZINC000336397964 525493969 /nfs/dbraw/zinc/49/39/69/525493969.db2.gz BBVHRFHTVFUUIU-OLZOCXBDSA-N 1 1 250.342 2.689 50 0 CFAAMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000096486813 527364529 /nfs/dbraw/zinc/36/45/29/527364529.db2.gz VOGNNIWQYVLHLW-CYBMUJFWSA-N 1 1 255.308 2.700 50 0 CFAAMO Cc1nc([C@@H](C)[NH+]2CCCCC2)n(-c2cccc(C)n2)n1 ZINC000670449482 545586962 /nfs/dbraw/zinc/58/69/62/545586962.db2.gz AWCAQLVFYKACTB-CYBMUJFWSA-N 1 1 285.395 2.826 50 0 CFAAMO CC[C@@H]1C=CC[N@H+]1Cc1cnc(N2CCCCC2)nc1 ZINC000952969139 615551180 /nfs/dbraw/zinc/55/11/80/615551180.db2.gz HUOJVARMFRQGPL-OAHLLOKOSA-N 1 1 272.396 2.617 50 0 CFAAMO CCn1cnc(Cl)c1C[NH2+]Cc1cccc(COC)c1 ZINC000952962924 615625933 /nfs/dbraw/zinc/62/59/33/615625933.db2.gz AGNRWUAMMMJGPQ-UHFFFAOYSA-N 1 1 293.798 2.993 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1C ZINC000023114882 618117281 /nfs/dbraw/zinc/11/72/81/618117281.db2.gz ZYTIZXLDVRLEDJ-HNNXBMFYSA-N 1 1 263.381 2.741 50 0 CFAAMO CN(C)C=[NH+]c1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC000254818951 619070594 /nfs/dbraw/zinc/07/05/94/619070594.db2.gz SCUYSBKEICMDIV-UHFFFAOYSA-N 1 1 273.727 2.619 50 0 CFAAMO CC(C)Oc1ccc(C[NH+](C)C)cc1CN(C)C ZINC000005094188 619085735 /nfs/dbraw/zinc/08/57/35/619085735.db2.gz ACMKIZQQCLBIQE-UHFFFAOYSA-N 1 1 250.386 2.597 50 0 CFAAMO CCN1CC[N@H+](Cc2cccc3cccnc32)C(C)(C)C1=O ZINC000186567740 626349044 /nfs/dbraw/zinc/34/90/44/626349044.db2.gz CASNMFYTKJUVJT-UHFFFAOYSA-N 1 1 297.402 2.678 50 0 CFAAMO CCN1CC[N@@H+](Cc2cccc3cccnc32)C(C)(C)C1=O ZINC000186567740 626349045 /nfs/dbraw/zinc/34/90/45/626349045.db2.gz CASNMFYTKJUVJT-UHFFFAOYSA-N 1 1 297.402 2.678 50 0 CFAAMO Fc1ccc(/C=C\C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000770304159 627512472 /nfs/dbraw/zinc/51/24/72/627512472.db2.gz KBESVMDDYUPCFL-NYTNPOERSA-N 1 1 291.366 2.719 50 0 CFAAMO Fc1ccc(/C=C\C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000770304159 627512473 /nfs/dbraw/zinc/51/24/73/627512473.db2.gz KBESVMDDYUPCFL-NYTNPOERSA-N 1 1 291.366 2.719 50 0 CFAAMO Cc1cccc([C@H](C(=O)NCCCn2cccc2)[NH+](C)C)c1 ZINC000952987128 650791745 /nfs/dbraw/zinc/79/17/45/650791745.db2.gz JMZHKZHSBHJQMV-QGZVFWFLSA-N 1 1 299.418 2.606 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](CCCNc2nccc3ccccc32)C1 ZINC000952969155 650790034 /nfs/dbraw/zinc/79/00/34/650790034.db2.gz MKFUWIKLVIHJIS-OAHLLOKOSA-N 1 1 299.418 2.741 50 0 CFAAMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(C)cc1Cl ZINC000877871184 643612953 /nfs/dbraw/zinc/61/29/53/643612953.db2.gz LYDAYYLGBFBXIA-AWEZNQCLSA-N 1 1 299.798 2.516 50 0 CFAAMO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(C)cc1Cl ZINC000877871186 643613656 /nfs/dbraw/zinc/61/36/56/643613656.db2.gz LYDAYYLGBFBXIA-CQSZACIVSA-N 1 1 299.798 2.516 50 0 CFAAMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000887268676 647255774 /nfs/dbraw/zinc/25/57/74/647255774.db2.gz RJMTUFHKGKGAFG-VVLHAWIVSA-N 1 1 290.451 2.898 50 0 CFAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(-c2cc[nH]n2)cc1 ZINC000020233961 651297029 /nfs/dbraw/zinc/29/70/29/651297029.db2.gz NKLHPGIPQHTSML-UHFFFAOYSA-N 1 1 295.390 2.751 50 0 CFAAMO C(c1nnc(C2CCC2)o1)[NH+]1CCC2(CCOCC2)CC1 ZINC000585081375 776857681 /nfs/dbraw/zinc/85/76/81/776857681.db2.gz QGBKTRQTIUDRBA-UHFFFAOYSA-N 1 1 291.395 2.730 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000585118949 776866033 /nfs/dbraw/zinc/86/60/33/776866033.db2.gz JUZWZQJZOAVHHS-ZDUSSCGKSA-N 1 1 291.738 2.870 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cncn1C1CC1 ZINC000299779528 778224589 /nfs/dbraw/zinc/22/45/89/778224589.db2.gz AAPBUYYUXLNHOD-UHFFFAOYSA-N 1 1 287.411 2.623 50 0 CFAAMO CC[C@@H](C(=O)NCCc1ccccc1Cl)[N@@H+](C)CC ZINC000822555060 781903750 /nfs/dbraw/zinc/90/37/50/781903750.db2.gz AYOQIGLSDONSQT-AWEZNQCLSA-N 1 1 282.815 2.729 50 0 CFAAMO CC[C@H](O)C1CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC000822594948 781907172 /nfs/dbraw/zinc/90/71/72/781907172.db2.gz KGQHQGLFPLXLJR-HNNXBMFYSA-N 1 1 260.381 2.558 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000096455381 230377156 /nfs/dbraw/zinc/37/71/56/230377156.db2.gz QXKBARSQSLSUMN-CQSZACIVSA-N 1 1 291.395 2.523 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000096455381 230377157 /nfs/dbraw/zinc/37/71/57/230377157.db2.gz QXKBARSQSLSUMN-CQSZACIVSA-N 1 1 291.395 2.523 50 0 CFAAMO C[C@H](C[N@H+]1CCOC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000170603051 230395488 /nfs/dbraw/zinc/39/54/88/230395488.db2.gz VAZCGGGCHQUDAI-CQSZACIVSA-N 1 1 293.382 2.811 50 0 CFAAMO C[N@H+]1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000095932275 185032953 /nfs/dbraw/zinc/03/29/53/185032953.db2.gz WWXHATMUSYQHED-CALCHBBNSA-N 1 1 293.366 2.930 50 0 CFAAMO C[C@@H]([NH2+]Cc1ncnn1C)c1ccc(SC(F)F)cc1 ZINC000095968773 185047452 /nfs/dbraw/zinc/04/74/52/185047452.db2.gz ICAMKKLOEWGGKG-SECBINFHSA-N 1 1 298.362 2.981 50 0 CFAAMO Cc1ccc(C)c([C@H](O)C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000095978827 185052567 /nfs/dbraw/zinc/05/25/67/185052567.db2.gz VTIIUUBKLZEWLN-HZPDHXFCSA-N 1 1 277.408 2.572 50 0 CFAAMO C[N@@H+](CCCn1ccnc1)Cc1ccc2ccccc2n1 ZINC000095984094 185055022 /nfs/dbraw/zinc/05/50/22/185055022.db2.gz FURSUJHOTOWLAN-UHFFFAOYSA-N 1 1 280.375 2.953 50 0 CFAAMO COc1ccc([C@H]2CC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000095987222 185055804 /nfs/dbraw/zinc/05/58/04/185055804.db2.gz ARXQZBHUOVMGBM-INIZCTEOSA-N 1 1 285.391 2.771 50 0 CFAAMO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000095995867 185060790 /nfs/dbraw/zinc/06/07/90/185060790.db2.gz ZJBPFYKKXIITMA-QGZVFWFLSA-N 1 1 293.407 2.951 50 0 CFAAMO CCOc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000095995867 185060791 /nfs/dbraw/zinc/06/07/91/185060791.db2.gz ZJBPFYKKXIITMA-QGZVFWFLSA-N 1 1 293.407 2.951 50 0 CFAAMO CC[NH+](CC)C[C@@H](C)NCc1ccc2c(c1)nc(C)n2C ZINC000823074724 781919730 /nfs/dbraw/zinc/91/97/30/781919730.db2.gz IPZDYAOFNSHGNK-CYBMUJFWSA-N 1 1 288.439 2.702 50 0 CFAAMO C[N@@H+](CCCNC(=O)/C=C\c1ccco1)Cc1ccccc1 ZINC000096943912 185133681 /nfs/dbraw/zinc/13/36/81/185133681.db2.gz NIXJNYDXBLYEKD-KHPPLWFESA-N 1 1 298.386 2.931 50 0 CFAAMO COc1ccc([C@H](C)C[N@H+]2CCC[C@@](C)(CO)C2)cc1 ZINC000097033943 185156049 /nfs/dbraw/zinc/15/60/49/185156049.db2.gz UOCHPJGVVNYLQU-RHSMWYFYSA-N 1 1 277.408 2.893 50 0 CFAAMO CC[N@H+](Cc1cnc(OC)nc1)Cc1ccccc1OC ZINC000823082060 781920979 /nfs/dbraw/zinc/92/09/79/781920979.db2.gz LPLOGVFLHJTNDT-UHFFFAOYSA-N 1 1 287.363 2.516 50 0 CFAAMO CC[N@@H+](Cc1cnc(OC)nc1)Cc1ccccc1OC ZINC000823082060 781920985 /nfs/dbraw/zinc/92/09/85/781920985.db2.gz LPLOGVFLHJTNDT-UHFFFAOYSA-N 1 1 287.363 2.516 50 0 CFAAMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@@H](C)n1cccn1 ZINC000070018067 346905422 /nfs/dbraw/zinc/90/54/22/346905422.db2.gz AGVOGZCMXOBQBF-CHWSQXEVSA-N 1 1 297.362 2.672 50 0 CFAAMO CC(C)(C)OC(=O)[C@H]([NH3+])CSCc1ccccc1 ZINC000071788912 346923496 /nfs/dbraw/zinc/92/34/96/346923496.db2.gz HTRMBSHLDQGUBK-GFCCVEGCSA-N 1 1 267.394 2.589 50 0 CFAAMO Clc1c[nH+]ccc1N1CCC(Oc2cnccn2)CC1 ZINC000329527037 136379954 /nfs/dbraw/zinc/37/99/54/136379954.db2.gz UBARCJPMRJXBSZ-UHFFFAOYSA-N 1 1 290.754 2.573 50 0 CFAAMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000075093163 347054075 /nfs/dbraw/zinc/05/40/75/347054075.db2.gz YTXKYKPTAMTDPF-WFASDCNBSA-N 1 1 271.364 2.734 50 0 CFAAMO CC(C)NC(=O)Nc1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000075337079 347068189 /nfs/dbraw/zinc/06/81/89/347068189.db2.gz QSJWRJBMXUFSJV-UHFFFAOYSA-N 1 1 286.379 2.686 50 0 CFAAMO CC(C)NC(=O)Nc1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000075337079 347068190 /nfs/dbraw/zinc/06/81/90/347068190.db2.gz QSJWRJBMXUFSJV-UHFFFAOYSA-N 1 1 286.379 2.686 50 0 CFAAMO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000023280976 346251994 /nfs/dbraw/zinc/25/19/94/346251994.db2.gz KXXBXOMXZIEWMU-LLVKDONJSA-N 1 1 273.298 2.969 50 0 CFAAMO Cc1ccccc1OCCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC000064570753 346723792 /nfs/dbraw/zinc/72/37/92/346723792.db2.gz OWBFLXWLIIGYTJ-KRWDZBQOSA-N 1 1 288.435 2.934 50 0 CFAAMO CC(C)(C)OC[C@H](O)C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000062367339 346688130 /nfs/dbraw/zinc/68/81/30/346688130.db2.gz RBEWWLMOEZDQGL-AKZYDZMLSA-N 1 1 281.440 2.673 50 0 CFAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CCc2ccncc2)C1 ZINC000078947797 347281377 /nfs/dbraw/zinc/28/13/77/347281377.db2.gz AIACHDSZNWKNDB-KGLIPLIRSA-N 1 1 250.411 2.840 50 0 CFAAMO c1c[nH+]c([C@@H]2CCCN(c3nccc4occc43)C2)[nH]1 ZINC000091479766 347589184 /nfs/dbraw/zinc/58/91/84/347589184.db2.gz ZQCCSHBHFBTMBU-LLVKDONJSA-N 1 1 268.320 2.935 50 0 CFAAMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)cc1F ZINC000095457656 347698500 /nfs/dbraw/zinc/69/85/00/347698500.db2.gz KDWYFUNTXYPQJE-NXEZZACHSA-N 1 1 283.322 2.521 50 0 CFAAMO CC(C)C(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@@H]1C ZINC000095882817 347698758 /nfs/dbraw/zinc/69/87/58/347698758.db2.gz PNEKCZNQOVAYFM-CJNGLKHVSA-N 1 1 261.365 2.805 50 0 CFAAMO CCCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H]1C ZINC000095882821 347699095 /nfs/dbraw/zinc/69/90/95/347699095.db2.gz AUMQUVNLMMEFEG-CZUORRHYSA-N 1 1 261.365 2.949 50 0 CFAAMO Cc1nc(Cc2nc([C@H]3CCCCC[NH2+]3)no2)cs1 ZINC000096001503 347699739 /nfs/dbraw/zinc/69/97/39/347699739.db2.gz GSUNLQAFQQWNBA-LLVKDONJSA-N 1 1 278.381 2.630 50 0 CFAAMO COCCC1(c2nc([C@H]3CCCCC[NH2+]3)no2)CCC1 ZINC000096001543 347699902 /nfs/dbraw/zinc/69/99/02/347699902.db2.gz UYTCVQAPYIZNNO-GFCCVEGCSA-N 1 1 279.384 2.733 50 0 CFAAMO Oc1ccc2c(c1)[C@]13CCCC[C@H]1CC[N@@H+]3CCO2 ZINC000096027998 347700250 /nfs/dbraw/zinc/70/02/50/347700250.db2.gz QPFORCJJDFGHAV-LRDDRELGSA-N 1 1 259.349 2.876 50 0 CFAAMO COC(=O)CC[N@@H+](C)[C@@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000096027322 347700354 /nfs/dbraw/zinc/70/03/54/347700354.db2.gz NSPIHLJDVJDQKM-CVEARBPZSA-N 1 1 291.391 2.872 50 0 CFAAMO CSC[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccs2)n[nH]1 ZINC000097370592 347708637 /nfs/dbraw/zinc/70/86/37/347708637.db2.gz NCQSNKDFCOFBIL-JTQLQIEISA-N 1 1 294.449 2.861 50 0 CFAAMO CSC[C@@H]1CCC[N@H+]1Cc1nc(-c2cccs2)n[nH]1 ZINC000097370592 347708640 /nfs/dbraw/zinc/70/86/40/347708640.db2.gz NCQSNKDFCOFBIL-JTQLQIEISA-N 1 1 294.449 2.861 50 0 CFAAMO CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccs1 ZINC000097373816 347709153 /nfs/dbraw/zinc/70/91/53/347709153.db2.gz SVKSNDDPDPNBJW-NSHDSACASA-N 1 1 276.409 2.995 50 0 CFAAMO Cc1ncc2c(n1)C[N@H+](CCO[C@H]1CCCC[C@H]1C)CC2 ZINC000106659799 347732011 /nfs/dbraw/zinc/73/20/11/347732011.db2.gz OKMNXOKRHKNCBJ-DYVFJYSZSA-N 1 1 289.423 2.738 50 0 CFAAMO Cc1ncc2c(n1)C[N@@H+](CCO[C@H]1CCCC[C@H]1C)CC2 ZINC000106659799 347732013 /nfs/dbraw/zinc/73/20/13/347732013.db2.gz OKMNXOKRHKNCBJ-DYVFJYSZSA-N 1 1 289.423 2.738 50 0 CFAAMO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccccc1F ZINC000195550723 348146192 /nfs/dbraw/zinc/14/61/92/348146192.db2.gz YSOLLXPNWUDOJX-NSHDSACASA-N 1 1 274.343 2.533 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245343817 348252036 /nfs/dbraw/zinc/25/20/36/348252036.db2.gz VUWRZGJYAXLRIP-ULQDDVLXSA-N 1 1 288.435 2.979 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245343817 348252040 /nfs/dbraw/zinc/25/20/40/348252040.db2.gz VUWRZGJYAXLRIP-ULQDDVLXSA-N 1 1 288.435 2.979 50 0 CFAAMO Cc1[nH]c(C)c(-c2ccc(C(=O)NCC(F)(F)F)cc2)[nH+]1 ZINC000584886946 348727596 /nfs/dbraw/zinc/72/75/96/348727596.db2.gz UETRGLRLBVCVJE-UHFFFAOYSA-N 1 1 297.280 2.986 50 0 CFAAMO Nc1cc[nH+]c(NCC2(c3ccccc3F)CCCC2)n1 ZINC000584900734 348731788 /nfs/dbraw/zinc/73/17/88/348731788.db2.gz RYBNPZUVRAGEAV-UHFFFAOYSA-N 1 1 286.354 2.952 50 0 CFAAMO Cc1[nH]ccc1C(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584901165 348732961 /nfs/dbraw/zinc/73/29/61/348732961.db2.gz OIEYCZTYLGHUBN-UHFFFAOYSA-N 1 1 289.423 2.804 50 0 CFAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000585141172 348737340 /nfs/dbraw/zinc/73/73/40/348737340.db2.gz QQGOSDIVRMIIEX-OLZOCXBDSA-N 1 1 295.452 2.660 50 0 CFAAMO CC1(C)CC(NCc2ccc3[nH]cnc3c2)CC(C)(C)[NH2+]1 ZINC000590880807 348961412 /nfs/dbraw/zinc/96/14/12/348961412.db2.gz ITPIJXZHVKUNAJ-UHFFFAOYSA-N 1 1 286.423 2.962 50 0 CFAAMO Clc1ccccc1OCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090772480 180038006 /nfs/dbraw/zinc/03/80/06/180038006.db2.gz ABTYTCCTLAHUKK-ZIAGYGMSSA-N 1 1 294.826 2.935 50 0 CFAAMO Clc1ccccc1OCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090772480 180038008 /nfs/dbraw/zinc/03/80/08/180038008.db2.gz ABTYTCCTLAHUKK-ZIAGYGMSSA-N 1 1 294.826 2.935 50 0 CFAAMO Cc1ncnc(NCC[N@H+]2CC[C@H](c3ccccc3)C2)c1C ZINC000091587012 180200765 /nfs/dbraw/zinc/20/07/65/180200765.db2.gz ASQSCOJTYGRRNG-KRWDZBQOSA-N 1 1 296.418 2.995 50 0 CFAAMO COc1cc(C[N@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)ccc1F ZINC000091636959 180210877 /nfs/dbraw/zinc/21/08/77/180210877.db2.gz CBAGQXYCKPIGAN-PXAZEXFGSA-N 1 1 293.382 2.817 50 0 CFAAMO CCc1ccccc1NC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000091650981 180217371 /nfs/dbraw/zinc/21/73/71/180217371.db2.gz CJCZUMLCRXTWOM-DZGCQCFKSA-N 1 1 287.407 2.807 50 0 CFAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000091651513 180217399 /nfs/dbraw/zinc/21/73/99/180217399.db2.gz VEVFHUPYDPPZLX-QGZVFWFLSA-N 1 1 295.398 2.745 50 0 CFAAMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000091846081 180270579 /nfs/dbraw/zinc/27/05/79/180270579.db2.gz WMHPUFNAXXBSEO-INIZCTEOSA-N 1 1 263.381 2.680 50 0 CFAAMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccsc2)CCN1 ZINC000092076205 180317765 /nfs/dbraw/zinc/31/77/65/180317765.db2.gz FXTWCIPKXJPBGJ-OAHLLOKOSA-N 1 1 286.400 2.811 50 0 CFAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000106547300 186126012 /nfs/dbraw/zinc/12/60/12/186126012.db2.gz UFVHRDPNNDCPFW-BMFZPTHFSA-N 1 1 272.392 2.725 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccco1 ZINC000106620258 186129247 /nfs/dbraw/zinc/12/92/47/186129247.db2.gz DOENIXQLBWKQEH-OLZOCXBDSA-N 1 1 264.369 2.721 50 0 CFAAMO C[N@H+](Cc1ccccc1-n1cccn1)C[C@H]1CCCCO1 ZINC000092427318 180383753 /nfs/dbraw/zinc/38/37/53/180383753.db2.gz MMOKEIGSSQLSHZ-MRXNPFEDSA-N 1 1 285.391 2.873 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC000092510808 180398999 /nfs/dbraw/zinc/39/89/99/180398999.db2.gz NAFORWHDHGBEMC-ZDUSSCGKSA-N 1 1 266.410 2.581 50 0 CFAAMO COC(=O)c1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000123621049 187100975 /nfs/dbraw/zinc/10/09/75/187100975.db2.gz LPRDWWSGDGQXOK-UHFFFAOYSA-N 1 1 258.321 2.841 50 0 CFAAMO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(OC(C)(C)C)cc1 ZINC000156774394 188280999 /nfs/dbraw/zinc/28/09/99/188280999.db2.gz HJVVCHJUCSIIFT-GFCCVEGCSA-N 1 1 288.395 2.843 50 0 CFAAMO O=C(Nc1cccc(O)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000158668257 188388331 /nfs/dbraw/zinc/38/83/31/188388331.db2.gz MQSOYOXBDHYCRD-ZDUSSCGKSA-N 1 1 288.391 2.985 50 0 CFAAMO CCN1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000685939689 540020403 /nfs/dbraw/zinc/02/04/03/540020403.db2.gz WFXWISMKVMFDQC-IHRRRGAJSA-N 1 1 268.445 2.795 50 0 CFAAMO CC1(C)CC[C@H]([N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)C1 ZINC000685939789 540020976 /nfs/dbraw/zinc/02/09/76/540020976.db2.gz JNWUIPRLSBWYKX-KGLIPLIRSA-N 1 1 264.413 2.556 50 0 CFAAMO Ic1ccc(C[NH+]2CCCC2)cc1 ZINC000012370523 283040452 /nfs/dbraw/zinc/04/04/52/283040452.db2.gz RDHZJYCRHTZBIX-UHFFFAOYSA-N 1 1 287.144 2.887 50 0 CFAAMO O[C@H]1C[N@H+](CCC(F)(F)C(F)F)Cc2ccccc21 ZINC000082134651 540079635 /nfs/dbraw/zinc/07/96/35/540079635.db2.gz QBEINJXYXMGVOE-NSHDSACASA-N 1 1 277.261 2.826 50 0 CFAAMO O[C@H]1C[N@@H+](CCC(F)(F)C(F)F)Cc2ccccc21 ZINC000082134651 540079641 /nfs/dbraw/zinc/07/96/41/540079641.db2.gz QBEINJXYXMGVOE-NSHDSACASA-N 1 1 277.261 2.826 50 0 CFAAMO CCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)C(C)C ZINC000036097228 283295129 /nfs/dbraw/zinc/29/51/29/283295129.db2.gz YHBCEXKVIIQXHW-OAHLLOKOSA-N 1 1 295.423 2.933 50 0 CFAAMO CN(Cc1ccncc1Cl)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000823683732 781935725 /nfs/dbraw/zinc/93/57/25/781935725.db2.gz IZXZMJKSYWQPRB-AWEZNQCLSA-N 1 1 267.804 2.509 50 0 CFAAMO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C2CCC2)C[C@H]1C ZINC000253618399 540561039 /nfs/dbraw/zinc/56/10/39/540561039.db2.gz YKLWOBFFFWQBEX-VNQPRFMTSA-N 1 1 293.455 2.833 50 0 CFAAMO NNc1[nH+]cnc2cc(-c3ccc(F)cc3)sc21 ZINC000002656596 283533552 /nfs/dbraw/zinc/53/35/52/283533552.db2.gz RFZYITSBCANCEE-UHFFFAOYSA-N 1 1 260.297 2.783 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC000670438574 540994956 /nfs/dbraw/zinc/99/49/56/540994956.db2.gz AXHNWWLWHDBTSZ-FICVDOATSA-N 1 1 289.375 2.600 50 0 CFAAMO c1c[nH]c([C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n1 ZINC000670439683 540995029 /nfs/dbraw/zinc/99/50/29/540995029.db2.gz PIFLWDRUDVBTGW-OAHLLOKOSA-N 1 1 267.376 2.757 50 0 CFAAMO CNC(=O)[C@@H]1CC[N@@H+](C/C=C(\C)CCC=C(C)C)C1 ZINC000670438917 540995174 /nfs/dbraw/zinc/99/51/74/540995174.db2.gz YONMDWABNGJIMG-UJMHRVFCSA-N 1 1 264.413 2.747 50 0 CFAAMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccc3cc[nH]c3n1)CC2 ZINC000670445501 540996732 /nfs/dbraw/zinc/99/67/32/540996732.db2.gz ORTVAELJBHBOKC-YOEHRIQHSA-N 1 1 285.391 2.690 50 0 CFAAMO OC1(c2ccccn2)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000670447658 540998114 /nfs/dbraw/zinc/99/81/14/540998114.db2.gz UYFVJWDPINEOKD-UHFFFAOYSA-N 1 1 292.766 2.812 50 0 CFAAMO C[N@@H+](Cc1ccc2cc[nH]c2n1)CC1(CO)CCCC1 ZINC000670453394 541000582 /nfs/dbraw/zinc/00/05/82/541000582.db2.gz IITSUJNPHVQRFU-UHFFFAOYSA-N 1 1 273.380 2.547 50 0 CFAAMO C[N@@H+](CCC1(O)CCCC1)Cc1ccc2cc[nH]c2n1 ZINC000670453669 541000733 /nfs/dbraw/zinc/00/07/33/541000733.db2.gz JHFMPQXFXXYKLP-UHFFFAOYSA-N 1 1 273.380 2.690 50 0 CFAAMO COCC[C@H]1C[N@@H+](CCCCc2ccccc2)CCO1 ZINC000670458847 541001934 /nfs/dbraw/zinc/00/19/34/541001934.db2.gz VADADAHHBJRHPW-KRWDZBQOSA-N 1 1 277.408 2.747 50 0 CFAAMO COc1ncccc1-c1nc(C2CC2)nn1-c1cc[nH+]cc1 ZINC000670462554 541004577 /nfs/dbraw/zinc/00/45/77/541004577.db2.gz DQXUIHANSMOYHG-UHFFFAOYSA-N 1 1 293.330 2.610 50 0 CFAAMO Cc1cccc2[nH]c(C[N@@H+](C)CCCn3cccn3)nc21 ZINC000670465126 541005828 /nfs/dbraw/zinc/00/58/28/541005828.db2.gz ZHVDUKITNJGKQQ-UHFFFAOYSA-N 1 1 283.379 2.590 50 0 CFAAMO Cc1cccc2nc(C[N@H+](C)CCCn3cccn3)[nH]c21 ZINC000670465126 541005830 /nfs/dbraw/zinc/00/58/30/541005830.db2.gz ZHVDUKITNJGKQQ-UHFFFAOYSA-N 1 1 283.379 2.590 50 0 CFAAMO Cc1cccc2nc(C[N@@H+](C)CCCn3cccn3)[nH]c21 ZINC000670465126 541005831 /nfs/dbraw/zinc/00/58/31/541005831.db2.gz ZHVDUKITNJGKQQ-UHFFFAOYSA-N 1 1 283.379 2.590 50 0 CFAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000670474305 541011450 /nfs/dbraw/zinc/01/14/50/541011450.db2.gz ZRIPFDDUVFBSRS-IBGZPJMESA-N 1 1 295.382 2.715 50 0 CFAAMO CC(C)=CCC[C@@H](C)[NH2+]CC1(CN2CCN(C)CC2)CC1 ZINC000823789121 781938848 /nfs/dbraw/zinc/93/88/48/781938848.db2.gz IPJHTADSFWYHKO-QGZVFWFLSA-N 1 1 293.499 2.739 50 0 CFAAMO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000076960402 541331844 /nfs/dbraw/zinc/33/18/44/541331844.db2.gz PHNYQWNEOKGUDD-JCGIZDLHSA-N 1 1 298.430 2.699 50 0 CFAAMO CC(C)c1cc(C[N@@H+](C)CCC2(O)CCCC2)on1 ZINC000216351944 189703449 /nfs/dbraw/zinc/70/34/49/189703449.db2.gz KSIYQOHXLBIBEG-UHFFFAOYSA-N 1 1 266.385 2.925 50 0 CFAAMO O=C([C@H]1CCCc2ccccc21)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065595906 296118700 /nfs/dbraw/zinc/11/87/00/296118700.db2.gz WOKFBZXQLBMJOX-AEFFLSMTSA-N 1 1 298.430 2.803 50 0 CFAAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccccc2)C1 ZINC000230104149 189805100 /nfs/dbraw/zinc/80/51/00/189805100.db2.gz ZUTKUMRHLZENHR-DLBZAZTESA-N 1 1 280.371 2.971 50 0 CFAAMO CC[NH+]1CCC(N[C@H](C)c2ccc(F)cc2)CC1 ZINC000000213543 371561248 /nfs/dbraw/zinc/56/12/48/371561248.db2.gz FRXTVKMLTMOUJU-GFCCVEGCSA-N 1 1 250.361 2.961 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000000238236 371564407 /nfs/dbraw/zinc/56/44/07/371564407.db2.gz FYPCAMHWDVEOGV-OAHLLOKOSA-N 1 1 292.398 2.906 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000000757306 371648672 /nfs/dbraw/zinc/64/86/72/371648672.db2.gz HKTANZFQTNNOIG-SNVBAGLBSA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000000757306 371648676 /nfs/dbraw/zinc/64/86/76/371648676.db2.gz HKTANZFQTNNOIG-SNVBAGLBSA-N 1 1 287.190 2.691 50 0 CFAAMO c1ccc(CCN2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000000757833 371648752 /nfs/dbraw/zinc/64/87/52/371648752.db2.gz UGCGXWXLYSLRED-UHFFFAOYSA-N 1 1 290.476 2.742 50 0 CFAAMO CCCCC[NH2+]CP(=O)([O-])C[NH2+]CCCCC ZINC000002310427 371721960 /nfs/dbraw/zinc/72/19/60/371721960.db2.gz LPIVFAPEIWXRBT-UHFFFAOYSA-N 1 1 264.350 2.731 50 0 CFAAMO OC[C@H]1CCCC[N@@H+]1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000001649887 371691619 /nfs/dbraw/zinc/69/16/19/371691619.db2.gz GVGACXDUCLLTDE-LLVKDONJSA-N 1 1 279.771 2.563 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000001649887 371691631 /nfs/dbraw/zinc/69/16/31/371691631.db2.gz GVGACXDUCLLTDE-LLVKDONJSA-N 1 1 279.771 2.563 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000003893513 371824657 /nfs/dbraw/zinc/82/46/57/371824657.db2.gz CGXFLSFZVZZFFI-HOTGVXAUSA-N 1 1 277.408 2.918 50 0 CFAAMO COc1ccccc1NC(=O)OC[C@H]1CCCC[N@H+]1C ZINC000004566632 371864347 /nfs/dbraw/zinc/86/43/47/371864347.db2.gz FXRAYLUFYVJHQO-GFCCVEGCSA-N 1 1 278.352 2.728 50 0 CFAAMO C[N@@H+](CCOC(=O)c1cccc(F)c1)C(C)(C)C ZINC000004664786 371871872 /nfs/dbraw/zinc/87/18/72/371871872.db2.gz VHODVJCYWUAQEB-UHFFFAOYSA-N 1 1 253.317 2.713 50 0 CFAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCC1 ZINC000011933511 371937762 /nfs/dbraw/zinc/93/77/62/371937762.db2.gz OGIQJVDQYWQNBH-KRWDZBQOSA-N 1 1 286.419 2.610 50 0 CFAAMO COc1ccc(CC[N@H+]2Cc3ccc(N)cc3C2)cc1 ZINC000011731115 371927610 /nfs/dbraw/zinc/92/76/10/371927610.db2.gz NDPWUABRZQKYPC-UHFFFAOYSA-N 1 1 268.360 2.836 50 0 CFAAMO O=C1OCC[C@H]1[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000012913662 371997362 /nfs/dbraw/zinc/99/73/62/371997362.db2.gz BJEAQVWFTLIMOQ-MRXNPFEDSA-N 1 1 284.359 2.663 50 0 CFAAMO Cc1ccc(C)c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012363262 371954915 /nfs/dbraw/zinc/95/49/15/371954915.db2.gz YBAXGSAADMRPKZ-GASCZTMLSA-N 1 1 290.407 2.741 50 0 CFAAMO COCCNc1c(-c2ccc(N)cc2)[nH+]c2cccc(C)n21 ZINC000013563554 372032343 /nfs/dbraw/zinc/03/23/43/372032343.db2.gz LDDIKROUEOLQJZ-UHFFFAOYSA-N 1 1 296.374 2.950 50 0 CFAAMO CCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000016580035 372111520 /nfs/dbraw/zinc/11/15/20/372111520.db2.gz XQOIUMDHNJFJFF-UHFFFAOYSA-N 1 1 296.798 2.516 50 0 CFAAMO Cc1ccc2c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc(=O)oc2c1 ZINC000016740184 372117544 /nfs/dbraw/zinc/11/75/44/372117544.db2.gz IEURTRHVCILARC-BETUJISGSA-N 1 1 287.359 2.711 50 0 CFAAMO Cc1ccc2c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc(=O)oc2c1 ZINC000016740184 372117549 /nfs/dbraw/zinc/11/75/49/372117549.db2.gz IEURTRHVCILARC-BETUJISGSA-N 1 1 287.359 2.711 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1O ZINC000016694810 372118063 /nfs/dbraw/zinc/11/80/63/372118063.db2.gz CHNNAOZJHQWWTE-AWEZNQCLSA-N 1 1 298.386 2.760 50 0 CFAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000014169291 372062823 /nfs/dbraw/zinc/06/28/23/372062823.db2.gz QBHVYMXBKRPKDN-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)cc2)no1 ZINC000014202398 372064413 /nfs/dbraw/zinc/06/44/13/372064413.db2.gz CTSZCWQILXAVOV-CYBMUJFWSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)no1 ZINC000014202398 372064420 /nfs/dbraw/zinc/06/44/20/372064420.db2.gz CTSZCWQILXAVOV-CYBMUJFWSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1ccc(C[NH+]2CCN(Cc3ccco3)CC2)cc1 ZINC000019359856 372156209 /nfs/dbraw/zinc/15/62/09/372156209.db2.gz GRCRYNJAJRZGQS-UHFFFAOYSA-N 1 1 270.376 2.906 50 0 CFAAMO C[N@H+]1CCCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019537147 372174169 /nfs/dbraw/zinc/17/41/69/372174169.db2.gz DRHFCKXWOOBBKR-UHFFFAOYSA-N 1 1 272.314 2.843 50 0 CFAAMO Cn1cc(C[N@@H+](C)CCc2ccc(Cl)cc2)cn1 ZINC000019794412 372188538 /nfs/dbraw/zinc/18/85/38/372188538.db2.gz GQHLUEAUMRGKLJ-UHFFFAOYSA-N 1 1 263.772 2.748 50 0 CFAAMO CCOc1ccc2ccccc2c1CNCC[NH+](C)C ZINC000019871903 372202610 /nfs/dbraw/zinc/20/26/10/372202610.db2.gz VRTDPGGORKCDBI-UHFFFAOYSA-N 1 1 272.392 2.890 50 0 CFAAMO CCN1CCN(C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000019888982 372204028 /nfs/dbraw/zinc/20/40/28/372204028.db2.gz YILRBLMNNNHMEW-WMZOPIPTSA-N 1 1 293.499 2.667 50 0 CFAAMO OC[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000023115246 372252785 /nfs/dbraw/zinc/25/27/85/372252785.db2.gz HVHZAFVECJUGMQ-SECBINFHSA-N 1 1 290.226 2.715 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000023115246 372252789 /nfs/dbraw/zinc/25/27/89/372252789.db2.gz HVHZAFVECJUGMQ-SECBINFHSA-N 1 1 290.226 2.715 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000023281417 372256845 /nfs/dbraw/zinc/25/68/45/372256845.db2.gz PGDIEUCBOMCKAS-AWEZNQCLSA-N 1 1 253.386 2.984 50 0 CFAAMO COc1ccccc1[C@H](CNC(=O)c1ccccc1)[NH+](C)C ZINC000023694032 372265260 /nfs/dbraw/zinc/26/52/60/372265260.db2.gz OYBCSTNTPBBEFP-INIZCTEOSA-N 1 1 298.386 2.728 50 0 CFAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C(C)C ZINC000024791465 372281894 /nfs/dbraw/zinc/28/18/94/372281894.db2.gz MDHYQZOZAMEIJK-UHFFFAOYSA-N 1 1 270.760 2.627 50 0 CFAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000024976206 372285917 /nfs/dbraw/zinc/28/59/17/372285917.db2.gz ISZFZPAAJJUYRN-OAHLLOKOSA-N 1 1 286.400 2.752 50 0 CFAAMO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000024992088 372286752 /nfs/dbraw/zinc/28/67/52/372286752.db2.gz CQJNANAZCZNXDU-CQSZACIVSA-N 1 1 295.342 2.784 50 0 CFAAMO O=c1oc2ccccc2n1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000024992088 372286757 /nfs/dbraw/zinc/28/67/57/372286757.db2.gz CQJNANAZCZNXDU-CQSZACIVSA-N 1 1 295.342 2.784 50 0 CFAAMO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000024992091 372287174 /nfs/dbraw/zinc/28/71/74/372287174.db2.gz CQJNANAZCZNXDU-AWEZNQCLSA-N 1 1 295.342 2.784 50 0 CFAAMO O=c1oc2ccccc2n1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000024992091 372287180 /nfs/dbraw/zinc/28/71/80/372287180.db2.gz CQJNANAZCZNXDU-AWEZNQCLSA-N 1 1 295.342 2.784 50 0 CFAAMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NCC[NH+](C)C ZINC000025763845 372307140 /nfs/dbraw/zinc/30/71/40/372307140.db2.gz YRYHZTDMVWWJPM-UONOGXRCSA-N 1 1 291.439 2.678 50 0 CFAAMO CCCC[C@H](CC)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932224 372354070 /nfs/dbraw/zinc/35/40/70/372354070.db2.gz CFBUHKAMPDNOQD-UONOGXRCSA-N 1 1 252.402 2.509 50 0 CFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CC=CCC1 ZINC000030318390 372392461 /nfs/dbraw/zinc/39/24/61/372392461.db2.gz OEPOKWPVJDSEQN-INIZCTEOSA-N 1 1 284.403 2.517 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000031655105 372414123 /nfs/dbraw/zinc/41/41/23/372414123.db2.gz MIQXJYPYPDPHCL-GFCCVEGCSA-N 1 1 290.382 2.705 50 0 CFAAMO O[C@H](C[NH+]1CCOCC1)c1ccc(-c2ccsc2)cc1 ZINC000032590521 372448162 /nfs/dbraw/zinc/44/81/62/372448162.db2.gz JOXLDJHWRPGVQS-MRXNPFEDSA-N 1 1 289.400 2.781 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000032758424 372458733 /nfs/dbraw/zinc/45/87/33/372458733.db2.gz QGWIDIUUPDTFRG-CQSZACIVSA-N 1 1 292.766 2.952 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000032758424 372458734 /nfs/dbraw/zinc/45/87/34/372458734.db2.gz QGWIDIUUPDTFRG-CQSZACIVSA-N 1 1 292.766 2.952 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000032758425 372459459 /nfs/dbraw/zinc/45/94/59/372459459.db2.gz QGWIDIUUPDTFRG-AWEZNQCLSA-N 1 1 292.766 2.952 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000032758425 372459467 /nfs/dbraw/zinc/45/94/67/372459467.db2.gz QGWIDIUUPDTFRG-AWEZNQCLSA-N 1 1 292.766 2.952 50 0 CFAAMO CCC(=O)O[C@]1(c2ccc(C)cc2)CC[N@@H+](C)[C@@H]1C ZINC000033864872 372501708 /nfs/dbraw/zinc/50/17/08/372501708.db2.gz ROOQMFGONPGNRH-CZUORRHYSA-N 1 1 261.365 2.868 50 0 CFAAMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)CC ZINC000036095974 372558441 /nfs/dbraw/zinc/55/84/41/372558441.db2.gz XHQNUEFDWSLFPY-CQSZACIVSA-N 1 1 281.396 2.687 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037140288 372653826 /nfs/dbraw/zinc/65/38/26/372653826.db2.gz RWMNOWIDVTXKHE-NSHDSACASA-N 1 1 259.353 2.535 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142118 372655766 /nfs/dbraw/zinc/65/57/66/372655766.db2.gz DOICJUOBAFWQJM-QWRGUYRKSA-N 1 1 261.291 2.929 50 0 CFAAMO CCc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000037208911 372661160 /nfs/dbraw/zinc/66/11/60/372661160.db2.gz MFJHWSGGACIUQY-GOEBONIOSA-N 1 1 277.408 2.721 50 0 CFAAMO CCOc1ccccc1CNC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643762 372679179 /nfs/dbraw/zinc/67/91/79/372679179.db2.gz XXBFMXFXKNDVMH-AWEZNQCLSA-N 1 1 262.397 2.517 50 0 CFAAMO CC[N@H+]1CC[C@@H](CNCc2ccccc2Cl)C1 ZINC000037643728 372679233 /nfs/dbraw/zinc/67/92/33/372679233.db2.gz NOUVZWDQMCBKRU-LBPRGKRZSA-N 1 1 252.789 2.771 50 0 CFAAMO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000042205412 372885987 /nfs/dbraw/zinc/88/59/87/372885987.db2.gz CRDILEQAUMOPHE-NSHDSACASA-N 1 1 268.788 2.763 50 0 CFAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048287153 373159388 /nfs/dbraw/zinc/15/93/88/373159388.db2.gz NLEXLHMLXWWAIQ-MJBXVCDLSA-N 1 1 292.427 2.769 50 0 CFAAMO CC[NH+](CC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000048331550 373163189 /nfs/dbraw/zinc/16/31/89/373163189.db2.gz GMQOLELLNZGCFT-NSHDSACASA-N 1 1 286.383 2.600 50 0 CFAAMO Cc1ccsc1C[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000048375400 373171015 /nfs/dbraw/zinc/17/10/15/373171015.db2.gz BYXSNRPLLXTCPK-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO COc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000048409058 373177235 /nfs/dbraw/zinc/17/72/35/373177235.db2.gz GXIUZTRJUPZKGP-UHFFFAOYSA-N 1 1 267.332 2.861 50 0 CFAAMO OC[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000049752486 373316961 /nfs/dbraw/zinc/31/69/61/373316961.db2.gz NBKCWMUYCLRWET-GFCCVEGCSA-N 1 1 278.377 2.750 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000049752486 373316968 /nfs/dbraw/zinc/31/69/68/373316968.db2.gz NBKCWMUYCLRWET-GFCCVEGCSA-N 1 1 278.377 2.750 50 0 CFAAMO CCNC(=O)CC[N@@H+](C)Cc1csc2ccccc12 ZINC000051853510 373413141 /nfs/dbraw/zinc/41/31/41/373413141.db2.gz ZIHAKCZRMAWIGH-UHFFFAOYSA-N 1 1 276.405 2.859 50 0 CFAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2CCOC2)c(C)c1 ZINC000051589652 373400822 /nfs/dbraw/zinc/40/08/22/373400822.db2.gz VYBFZPMVLGAQIQ-HNNXBMFYSA-N 1 1 290.407 2.519 50 0 CFAAMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1 ZINC000054583356 373526817 /nfs/dbraw/zinc/52/68/17/373526817.db2.gz LSSMFCHPEKEPOY-XHDPSFHLSA-N 1 1 272.323 2.703 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c2ccccc12 ZINC000057159576 373581377 /nfs/dbraw/zinc/58/13/77/373581377.db2.gz ZSZQWRLYJPBRTM-HNNXBMFYSA-N 1 1 299.418 2.701 50 0 CFAAMO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000057315214 373587899 /nfs/dbraw/zinc/58/78/99/373587899.db2.gz RKCPXDYQIBGRCO-UHFFFAOYSA-N 1 1 271.364 2.688 50 0 CFAAMO Cn1nc(C[NH2+]Cc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000057353211 373590327 /nfs/dbraw/zinc/59/03/27/373590327.db2.gz FDCBPJUAJANLEJ-UHFFFAOYSA-N 1 1 296.349 2.911 50 0 CFAAMO COCC[N@@H+](C/C=C/c1ccccc1)C[C@@H]1CCOC1 ZINC000055196852 373543630 /nfs/dbraw/zinc/54/36/30/373543630.db2.gz SBAOKCFKUQVXAX-JZLODUJNSA-N 1 1 275.392 2.685 50 0 CFAAMO CCOCc1cccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c1 ZINC000056215315 373563280 /nfs/dbraw/zinc/56/32/80/373563280.db2.gz YFWFNGCVHBTEGW-QGZVFWFLSA-N 1 1 298.386 2.539 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000058210014 373633130 /nfs/dbraw/zinc/63/31/30/373633130.db2.gz TVUMUQDQJCGQTI-UHFFFAOYSA-N 1 1 283.322 2.524 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000058218465 373633716 /nfs/dbraw/zinc/63/37/16/373633716.db2.gz RXKUBJSKZYCRDY-UHFFFAOYSA-N 1 1 261.369 2.555 50 0 CFAAMO COc1ccc(OC)c(C[NH2+]Cc2cccc(O)c2)c1 ZINC000058440412 373658683 /nfs/dbraw/zinc/65/86/83/373658683.db2.gz LCEULSCQCXHORI-UHFFFAOYSA-N 1 1 273.332 2.699 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]12)c1occc1-c1ccccc1 ZINC000058369320 373650348 /nfs/dbraw/zinc/65/03/48/373650348.db2.gz CIMMISOHPHCQOA-JKSUJKDBSA-N 1 1 296.370 2.913 50 0 CFAAMO c1ccc(C[NH+]2CCC(NCc3cccnc3)CC2)cc1 ZINC000057755507 373609984 /nfs/dbraw/zinc/60/99/84/373609984.db2.gz CHTOYPLEEAUYGN-UHFFFAOYSA-N 1 1 281.403 2.836 50 0 CFAAMO CC(C)C[NH+](CC(C)C)Cn1ncc2ccccc2c1=O ZINC000058457640 373659470 /nfs/dbraw/zinc/65/94/70/373659470.db2.gz UBXPKAZAPWSHFI-UHFFFAOYSA-N 1 1 287.407 2.968 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000060474122 373697447 /nfs/dbraw/zinc/69/74/47/373697447.db2.gz QMGCREZXZGMAJM-UHFFFAOYSA-N 1 1 256.349 2.765 50 0 CFAAMO CCC[N@@H+](C)CC(=O)NCc1cccc(COC(C)C)c1 ZINC000063755919 373815426 /nfs/dbraw/zinc/81/54/26/373815426.db2.gz PGBCKBFEMJDFAL-UHFFFAOYSA-N 1 1 292.423 2.570 50 0 CFAAMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000065553977 373887691 /nfs/dbraw/zinc/88/76/91/373887691.db2.gz HBNDWULGNINPDI-IRXDYDNUSA-N 1 1 286.419 2.923 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000065140873 373846516 /nfs/dbraw/zinc/84/65/16/373846516.db2.gz QOYMBBLLOHUKCU-CZUORRHYSA-N 1 1 272.392 2.738 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000065201639 373848210 /nfs/dbraw/zinc/84/82/10/373848210.db2.gz ICGBTADOZZVIQH-UHFFFAOYSA-N 1 1 271.364 2.843 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2ccccc2)n1 ZINC000065288347 373855522 /nfs/dbraw/zinc/85/55/22/373855522.db2.gz UCDMRKDTOLSJAI-UHFFFAOYSA-N 1 1 254.293 2.544 50 0 CFAAMO C[C@@H](c1ccon1)[N@H+](C)CCC(=O)NC1CCCCCC1 ZINC000065375458 373861527 /nfs/dbraw/zinc/86/15/27/373861527.db2.gz WKPVDYBPISYPHQ-ZDUSSCGKSA-N 1 1 293.411 2.897 50 0 CFAAMO C[C@@H](c1ccon1)[N@@H+](C)CCC(=O)NC1CCCCCC1 ZINC000065375458 373861533 /nfs/dbraw/zinc/86/15/33/373861533.db2.gz WKPVDYBPISYPHQ-ZDUSSCGKSA-N 1 1 293.411 2.897 50 0 CFAAMO CCc1cc(C[N@H+](C)Cc2ccc(NC(C)=O)cc2)on1 ZINC000065398632 373866414 /nfs/dbraw/zinc/86/64/14/373866414.db2.gz WRCBDSGABDHHQF-UHFFFAOYSA-N 1 1 287.363 2.827 50 0 CFAAMO CCc1cc(C[N@@H+](C)Cc2ccc(NC(C)=O)cc2)on1 ZINC000065398632 373866423 /nfs/dbraw/zinc/86/64/23/373866423.db2.gz WRCBDSGABDHHQF-UHFFFAOYSA-N 1 1 287.363 2.827 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)N(C)C)cc1C ZINC000065404040 373867196 /nfs/dbraw/zinc/86/71/96/373867196.db2.gz QTWVZMPPZSJBPH-CQSZACIVSA-N 1 1 262.397 2.520 50 0 CFAAMO Cc1cc(C)n2ncc(C[N@@H+](C)[C@H](C)c3ccccn3)c2n1 ZINC000065407948 373868979 /nfs/dbraw/zinc/86/89/79/373868979.db2.gz JDABTACQOMMOSO-CQSZACIVSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cc(C)n2ncc(C[N@H+](C)[C@H](C)c3ccccn3)c2n1 ZINC000065407948 373868985 /nfs/dbraw/zinc/86/89/85/373868985.db2.gz JDABTACQOMMOSO-CQSZACIVSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cc(C)n2ncc(C[N@@H+](C)[C@@H](C)c3ccccn3)c2n1 ZINC000065407947 373869220 /nfs/dbraw/zinc/86/92/20/373869220.db2.gz JDABTACQOMMOSO-AWEZNQCLSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cc(C)n2ncc(C[N@H+](C)[C@@H](C)c3ccccn3)c2n1 ZINC000065407947 373869228 /nfs/dbraw/zinc/86/92/28/373869228.db2.gz JDABTACQOMMOSO-AWEZNQCLSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1n[nH]c(-c2ccc(C[NH+]3CCC(C)CC3)o2)n1 ZINC000065421060 373869413 /nfs/dbraw/zinc/86/94/13/373869413.db2.gz KHVSFFZKGQPOCJ-UHFFFAOYSA-N 1 1 260.341 2.605 50 0 CFAAMO Cc1nnc(-c2ccc(C[NH+]3CCC(C)CC3)o2)[nH]1 ZINC000065421060 373869417 /nfs/dbraw/zinc/86/94/17/373869417.db2.gz KHVSFFZKGQPOCJ-UHFFFAOYSA-N 1 1 260.341 2.605 50 0 CFAAMO CCc1nc(C)c(C[N@H+]2CCCC[C@@H]2CCOC)[nH]1 ZINC000065433514 373870459 /nfs/dbraw/zinc/87/04/59/373870459.db2.gz PBWJYKGAYZSWDG-CYBMUJFWSA-N 1 1 265.401 2.672 50 0 CFAAMO CSCc1noc(C[NH2+][C@H](C)Cc2ccccc2F)n1 ZINC000065424998 373870980 /nfs/dbraw/zinc/87/09/80/373870980.db2.gz LXAGVTIQRIRIQV-SNVBAGLBSA-N 1 1 295.383 2.793 50 0 CFAAMO C=Cc1cccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1 ZINC000065468780 373874607 /nfs/dbraw/zinc/87/46/07/373874607.db2.gz SIETVICXLZHEIV-UHFFFAOYSA-N 1 1 298.365 2.581 50 0 CFAAMO C[N@H+](Cc1cccs1)Cc1nc2ccccc2[nH]c1=O ZINC000065474536 373877530 /nfs/dbraw/zinc/87/75/30/373877530.db2.gz NIGXTWSJGPSFPW-UHFFFAOYSA-N 1 1 285.372 2.617 50 0 CFAAMO C[N@@H+](Cc1cccs1)Cc1nc2ccccc2[nH]c1=O ZINC000065474536 373877537 /nfs/dbraw/zinc/87/75/37/373877537.db2.gz NIGXTWSJGPSFPW-UHFFFAOYSA-N 1 1 285.372 2.617 50 0 CFAAMO C[C@H](CN1CCCCCC1)[NH2+]Cc1ccc2nonc2c1 ZINC000067773690 374002205 /nfs/dbraw/zinc/00/22/05/374002205.db2.gz PYVZLAHUVKMDDK-CYBMUJFWSA-N 1 1 288.395 2.577 50 0 CFAAMO CC(=O)c1c(C)cc(C)c(CN2CC[C@@H](C[NH3+])C2)c1C ZINC000067784532 374002756 /nfs/dbraw/zinc/00/27/56/374002756.db2.gz XLQSXRRTHLXQSR-HNNXBMFYSA-N 1 1 274.408 2.595 50 0 CFAAMO CCSC[C@H](C)[NH2+]Cc1noc(-c2ccco2)n1 ZINC000067872395 374012215 /nfs/dbraw/zinc/01/22/15/374012215.db2.gz ZNJJKUGNLQRMKQ-VIFPVBQESA-N 1 1 267.354 2.561 50 0 CFAAMO CCNc1cc[nH+]c(N[C@@H](C)c2nc3ccccc3[nH]2)n1 ZINC000067910050 374014688 /nfs/dbraw/zinc/01/46/88/374014688.db2.gz UBGOZVLPPQBRCX-JTQLQIEISA-N 1 1 282.351 2.958 50 0 CFAAMO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000067921724 374015331 /nfs/dbraw/zinc/01/53/31/374015331.db2.gz CJLVKXKJXOZBFJ-GFCCVEGCSA-N 1 1 292.345 2.806 50 0 CFAAMO Cc1cc(C)n2ncc(C[N@@H+](C)Cc3ccncc3C)c2n1 ZINC000067946971 374018224 /nfs/dbraw/zinc/01/82/24/374018224.db2.gz ZEPUFJXBQWANJZ-UHFFFAOYSA-N 1 1 295.390 2.682 50 0 CFAAMO Cc1cc(C)n2ncc(C[N@H+](C)Cc3ccncc3C)c2n1 ZINC000067946971 374018229 /nfs/dbraw/zinc/01/82/29/374018229.db2.gz ZEPUFJXBQWANJZ-UHFFFAOYSA-N 1 1 295.390 2.682 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(CCOCc2ccccc2)C1 ZINC000067491379 373981253 /nfs/dbraw/zinc/98/12/53/373981253.db2.gz PDMXBNCITQACAB-MRXNPFEDSA-N 1 1 288.435 2.762 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCn1ccnc1-c1ccc2nonc2c1 ZINC000067673489 373989212 /nfs/dbraw/zinc/98/92/12/373989212.db2.gz PXOYEIHSQKCXMT-CYBMUJFWSA-N 1 1 297.362 2.571 50 0 CFAAMO C=Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000067690569 373991566 /nfs/dbraw/zinc/99/15/66/373991566.db2.gz CLEZHQATEZTUMV-OAHLLOKOSA-N 1 1 272.392 2.791 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000069597182 374079305 /nfs/dbraw/zinc/07/93/05/374079305.db2.gz MHFLVTBMBZGDNI-IRXDYDNUSA-N 1 1 290.451 2.898 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000069385614 374058265 /nfs/dbraw/zinc/05/82/65/374058265.db2.gz ACYBJYCTBVXVNL-CQSZACIVSA-N 1 1 292.810 2.582 50 0 CFAAMO CC(C)C[N@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000069452780 374063521 /nfs/dbraw/zinc/06/35/21/374063521.db2.gz FIQJRWZXFOOLJV-UHFFFAOYSA-N 1 1 251.374 2.988 50 0 CFAAMO CC(C)C[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000069452780 374063527 /nfs/dbraw/zinc/06/35/27/374063527.db2.gz FIQJRWZXFOOLJV-UHFFFAOYSA-N 1 1 251.374 2.988 50 0 CFAAMO Cc1oc(C)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1C ZINC000069659065 374082955 /nfs/dbraw/zinc/08/29/55/374082955.db2.gz VUPLHOKAFFESSJ-CABCVRRESA-N 1 1 290.407 2.904 50 0 CFAAMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000069653842 374083041 /nfs/dbraw/zinc/08/30/41/374083041.db2.gz DPADDTCRPRLXQE-HNNXBMFYSA-N 1 1 290.382 2.803 50 0 CFAAMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000069587968 374077095 /nfs/dbraw/zinc/07/70/95/374077095.db2.gz DODQUWIOUFLTCM-GFCCVEGCSA-N 1 1 278.421 2.579 50 0 CFAAMO CCOCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000069586851 374077237 /nfs/dbraw/zinc/07/72/37/374077237.db2.gz XZCXUVQEEHPSKO-ZDUSSCGKSA-N 1 1 263.337 2.589 50 0 CFAAMO c1ccc2nc(C[N@H+]3CCCC[C@@H]3C3OCCO3)ccc2c1 ZINC000069669702 374085327 /nfs/dbraw/zinc/08/53/27/374085327.db2.gz MWLLYFKNYZPCRQ-QGZVFWFLSA-N 1 1 298.386 2.962 50 0 CFAAMO c1ccc2oc(CCC[N@H+]3CCc4cncnc4C3)nc2c1 ZINC000069740236 374091059 /nfs/dbraw/zinc/09/10/59/374091059.db2.gz OVCFVWIFOJYBDW-UHFFFAOYSA-N 1 1 294.358 2.609 50 0 CFAAMO CC[C@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1CCOC ZINC000069738358 374091460 /nfs/dbraw/zinc/09/14/60/374091460.db2.gz FZFZXVGZUCIDDD-HKMNZKMDSA-N 1 1 288.435 2.742 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2cc(C)on2)c1 ZINC000069815488 374100887 /nfs/dbraw/zinc/10/08/87/374100887.db2.gz MHJKRFFNXMUOCL-OAHLLOKOSA-N 1 1 274.368 2.543 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2cc(C)on2)c1 ZINC000069815488 374100894 /nfs/dbraw/zinc/10/08/94/374100894.db2.gz MHJKRFFNXMUOCL-OAHLLOKOSA-N 1 1 274.368 2.543 50 0 CFAAMO CCO[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071772252 374223714 /nfs/dbraw/zinc/22/37/14/374223714.db2.gz SDCUQXPVQKVHDQ-OAHLLOKOSA-N 1 1 279.355 2.899 50 0 CFAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000071876644 374226809 /nfs/dbraw/zinc/22/68/09/374226809.db2.gz HFNMMTITZWRULZ-GJZGRUSLSA-N 1 1 277.412 2.743 50 0 CFAAMO CC(=O)N1CCC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000072558451 374263462 /nfs/dbraw/zinc/26/34/62/374263462.db2.gz OBMMAAOWYUXASP-CQSZACIVSA-N 1 1 260.381 2.610 50 0 CFAAMO COCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000072418306 374248381 /nfs/dbraw/zinc/24/83/81/374248381.db2.gz IXEUVGRJCXSTCW-UHFFFAOYSA-N 1 1 273.380 2.772 50 0 CFAAMO C[C@H]1C[C@@H]([N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181996 374327577 /nfs/dbraw/zinc/32/75/77/374327577.db2.gz QWXTXFFZGWJHRO-DVMIWYLISA-N 1 1 277.408 2.839 50 0 CFAAMO C[C@H]1C[C@H]([N@@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181988 374328433 /nfs/dbraw/zinc/32/84/33/374328433.db2.gz QWXTXFFZGWJHRO-INRQWTSDSA-N 1 1 277.408 2.839 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cccc1 ZINC000334160312 206121314 /nfs/dbraw/zinc/12/13/14/206121314.db2.gz AWRZSCOGKGAYJC-JKSUJKDBSA-N 1 1 291.439 2.676 50 0 CFAAMO CC[N@H+](Cc1cccnc1)C[C@H](O)c1ccc(C)cc1 ZINC000076015781 374521852 /nfs/dbraw/zinc/52/18/52/374521852.db2.gz KJKONMDQDZUKQY-KRWDZBQOSA-N 1 1 270.376 2.946 50 0 CFAAMO CN(CC(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110104 374532555 /nfs/dbraw/zinc/53/25/55/374532555.db2.gz JAZKMCCPRNHFRS-AWEZNQCLSA-N 1 1 268.351 2.705 50 0 CFAAMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2cncn2)o1 ZINC000076145203 374535900 /nfs/dbraw/zinc/53/59/00/374535900.db2.gz ZZMOXGTWEAPLSJ-DZGCQCFKSA-N 1 1 288.395 2.907 50 0 CFAAMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2cncn2)o1 ZINC000076145201 374535981 /nfs/dbraw/zinc/53/59/81/374535981.db2.gz ZZMOXGTWEAPLSJ-UKRRQHHQSA-N 1 1 288.395 2.907 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)s2)on1 ZINC000076342393 374547000 /nfs/dbraw/zinc/54/70/00/374547000.db2.gz DSLHLIBSUHUWDO-NSHDSACASA-N 1 1 293.392 2.812 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)s2)on1 ZINC000076342393 374547004 /nfs/dbraw/zinc/54/70/04/374547004.db2.gz DSLHLIBSUHUWDO-NSHDSACASA-N 1 1 293.392 2.812 50 0 CFAAMO CCc1cnc(CN(C)[C@@H]2CC[N@@H+](CC3CCC3)C2)o1 ZINC000078892014 374573939 /nfs/dbraw/zinc/57/39/39/374573939.db2.gz KZWVKONKSLDTLF-CQSZACIVSA-N 1 1 277.412 2.543 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000079014053 374582666 /nfs/dbraw/zinc/58/26/66/374582666.db2.gz JTJDXFQCZAQEEV-GFCCVEGCSA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1cc(F)cc(Br)c1 ZINC000079014053 374582672 /nfs/dbraw/zinc/58/26/72/374582672.db2.gz JTJDXFQCZAQEEV-GFCCVEGCSA-N 1 1 288.160 2.545 50 0 CFAAMO Cc1nc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)oc1C ZINC000079311553 374602931 /nfs/dbraw/zinc/60/29/31/374602931.db2.gz RPYZYEPZPFRCDZ-MRXNPFEDSA-N 1 1 286.375 2.773 50 0 CFAAMO Cc1nc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)oc1C ZINC000079311553 374602937 /nfs/dbraw/zinc/60/29/37/374602937.db2.gz RPYZYEPZPFRCDZ-MRXNPFEDSA-N 1 1 286.375 2.773 50 0 CFAAMO COCC[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000080027548 374638081 /nfs/dbraw/zinc/63/80/81/374638081.db2.gz AZHJYDDLVRZSPG-UHFFFAOYSA-N 1 1 286.375 2.912 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@H](CCO)C2)c(Cl)c1 ZINC000083927833 374758463 /nfs/dbraw/zinc/75/84/63/374758463.db2.gz CXEMLBWIIIXIRP-LLVKDONJSA-N 1 1 269.772 2.553 50 0 CFAAMO O[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2ccccc21 ZINC000082107178 374726402 /nfs/dbraw/zinc/72/64/02/374726402.db2.gz DILDPEKZBZRDJV-MRXNPFEDSA-N 1 1 295.342 2.719 50 0 CFAAMO O[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2ccccc21 ZINC000082107178 374726409 /nfs/dbraw/zinc/72/64/09/374726409.db2.gz DILDPEKZBZRDJV-MRXNPFEDSA-N 1 1 295.342 2.719 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000084656503 374785287 /nfs/dbraw/zinc/78/52/87/374785287.db2.gz WGWDMBICIBRNAI-WMLDXEAASA-N 1 1 285.391 2.729 50 0 CFAAMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000089289539 374894008 /nfs/dbraw/zinc/89/40/08/374894008.db2.gz VDLSARRYPRKELP-AWEZNQCLSA-N 1 1 292.448 2.933 50 0 CFAAMO Cc1nc(C)c(C[N@@H+](CC(C)(C)O)C(C)C)s1 ZINC000089559144 374922533 /nfs/dbraw/zinc/92/25/33/374922533.db2.gz DVIRNTJJKWBXDV-UHFFFAOYSA-N 1 1 256.415 2.741 50 0 CFAAMO Cc1nc(C)c(C[N@@H+]2CCOC3(CCCC3)C2)s1 ZINC000089559176 374922618 /nfs/dbraw/zinc/92/26/18/374922618.db2.gz VDFQKNUVOKKXBW-UHFFFAOYSA-N 1 1 266.410 2.905 50 0 CFAAMO Cc1nc(C)c(C[N@H+]2CCOC3(CCCC3)C2)s1 ZINC000089559176 374922621 /nfs/dbraw/zinc/92/26/21/374922621.db2.gz VDFQKNUVOKKXBW-UHFFFAOYSA-N 1 1 266.410 2.905 50 0 CFAAMO Cc1ccnc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000089701903 374939468 /nfs/dbraw/zinc/93/94/68/374939468.db2.gz QBMWLOVWYBPMBA-KRWDZBQOSA-N 1 1 297.402 2.657 50 0 CFAAMO Cc1ccnc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000089701903 374939473 /nfs/dbraw/zinc/93/94/73/374939473.db2.gz QBMWLOVWYBPMBA-KRWDZBQOSA-N 1 1 297.402 2.657 50 0 CFAAMO COCCCC[N@@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000089741121 374944772 /nfs/dbraw/zinc/94/47/72/374944772.db2.gz FBYBZDMMVBQLDU-UHFFFAOYSA-N 1 1 287.407 2.849 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccccc1 ZINC000089845643 374959495 /nfs/dbraw/zinc/95/94/95/374959495.db2.gz KRPLKLUQTVAUKA-AWEZNQCLSA-N 1 1 298.390 2.618 50 0 CFAAMO O=C(CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)Nc1ccccc1 ZINC000089845643 374959502 /nfs/dbraw/zinc/95/95/02/374959502.db2.gz KRPLKLUQTVAUKA-AWEZNQCLSA-N 1 1 298.390 2.618 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1)Nc1ccccc1 ZINC000089845643 374959507 /nfs/dbraw/zinc/95/95/07/374959507.db2.gz KRPLKLUQTVAUKA-AWEZNQCLSA-N 1 1 298.390 2.618 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000093338095 375216697 /nfs/dbraw/zinc/21/66/97/375216697.db2.gz DLCQFZKIMNQRPF-ZDUSSCGKSA-N 1 1 267.344 2.693 50 0 CFAAMO C[C@H]1C[C@H](N(C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643706 375282069 /nfs/dbraw/zinc/28/20/69/375282069.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643706 375282076 /nfs/dbraw/zinc/28/20/76/375282076.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643706 375282079 /nfs/dbraw/zinc/28/20/79/375282079.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942262 375331999 /nfs/dbraw/zinc/33/19/99/375331999.db2.gz GNLNYDMSBAMWIL-LSDHHAIUSA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942262 375332005 /nfs/dbraw/zinc/33/20/05/375332005.db2.gz GNLNYDMSBAMWIL-LSDHHAIUSA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1N(C)C ZINC000093942262 375332010 /nfs/dbraw/zinc/33/20/10/375332010.db2.gz GNLNYDMSBAMWIL-LSDHHAIUSA-N 1 1 287.451 2.888 50 0 CFAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)cc1 ZINC000095464360 375457767 /nfs/dbraw/zinc/45/77/67/375457767.db2.gz INLHTZWBDWPFNT-MRXNPFEDSA-N 1 1 271.364 2.766 50 0 CFAAMO CSCC[C@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000095968198 375465255 /nfs/dbraw/zinc/46/52/55/375465255.db2.gz SQQPNWNQFZLKLN-ZDUSSCGKSA-N 1 1 258.475 2.838 50 0 CFAAMO C[NH+](C)CCCOc1ccc(-c2ccc3nc[nH]c3c2)cn1 ZINC000096136743 375468093 /nfs/dbraw/zinc/46/80/93/375468093.db2.gz GIIHOTZNIZRXJX-UHFFFAOYSA-N 1 1 296.374 2.955 50 0 CFAAMO C[C@@H](c1cccnc1)[N@@H+]1CCN(c2nccs2)[C@@H](C)C1 ZINC000095351848 375417920 /nfs/dbraw/zinc/41/79/20/375417920.db2.gz KBDZETBICNYCQR-STQMWFEESA-N 1 1 288.420 2.810 50 0 CFAAMO C[C@@H](c1cccnc1)[N@H+]1CCN(c2nccs2)[C@@H](C)C1 ZINC000095351848 375417923 /nfs/dbraw/zinc/41/79/23/375417923.db2.gz KBDZETBICNYCQR-STQMWFEESA-N 1 1 288.420 2.810 50 0 CFAAMO Cc1[nH+]ccn1CCCn1c(C)cc(C(F)(F)F)cc1=O ZINC000095357699 375419074 /nfs/dbraw/zinc/41/90/74/375419074.db2.gz FBMWZDMAKSAWCB-UHFFFAOYSA-N 1 1 299.296 2.771 50 0 CFAAMO Cc1cnc(NCC[N@H+]2CC[C@H](c3ccccc3)C2)nc1 ZINC000095359327 375419213 /nfs/dbraw/zinc/41/92/13/375419213.db2.gz XFWLXDBRTZLKMV-INIZCTEOSA-N 1 1 282.391 2.686 50 0 CFAAMO COCCC[N@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095359296 375420192 /nfs/dbraw/zinc/42/01/92/375420192.db2.gz MBFUOROPAUDQLO-INIZCTEOSA-N 1 1 291.439 2.899 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000095366343 375421361 /nfs/dbraw/zinc/42/13/61/375421361.db2.gz MZBDYGIPUSJTAV-NSHDSACASA-N 1 1 288.313 2.597 50 0 CFAAMO CCc1c(C)nc(N)nc1NCc1ccc(C[NH+](C)C)cc1 ZINC000095362293 375421951 /nfs/dbraw/zinc/42/19/51/375421951.db2.gz JCWLSNCXGHDTMS-UHFFFAOYSA-N 1 1 299.422 2.603 50 0 CFAAMO CCc1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000095381031 375426388 /nfs/dbraw/zinc/42/63/88/375426388.db2.gz YYCQVQRGQSXNLZ-MRXNPFEDSA-N 1 1 282.391 2.725 50 0 CFAAMO CCc1cccc(C)c1NC(=O)C[N@H+](CC)C(C)(C)CO ZINC000095405702 375433055 /nfs/dbraw/zinc/43/30/55/375433055.db2.gz BBRXDCYGOWRPKR-UHFFFAOYSA-N 1 1 292.423 2.589 50 0 CFAAMO O=C(NC1CC1)[C@H]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000095408623 375434357 /nfs/dbraw/zinc/43/43/57/375434357.db2.gz SXHXUVCHTDJEGB-CMPLNLGQSA-N 1 1 293.798 2.984 50 0 CFAAMO CCc1ccc(C[NH2+]CC2(N3CCCC3)CCOCC2)o1 ZINC000095415464 375437865 /nfs/dbraw/zinc/43/78/65/375437865.db2.gz YLIBLWSSZLCVID-UHFFFAOYSA-N 1 1 292.423 2.577 50 0 CFAAMO COc1ccc([C@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000095420558 375440922 /nfs/dbraw/zinc/44/09/22/375440922.db2.gz OGSFVHJTUPUMBU-LRDDRELGSA-N 1 1 262.397 2.686 50 0 CFAAMO COCCC1(C[NH2+]C2CCN(CC3CC3)CC2)CCC1 ZINC000095423768 375442000 /nfs/dbraw/zinc/44/20/00/375442000.db2.gz NJKMOQAWIMSJAT-UHFFFAOYSA-N 1 1 280.456 2.657 50 0 CFAAMO CC[NH+](CC)C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000095431669 375446635 /nfs/dbraw/zinc/44/66/35/375446635.db2.gz XBGBABYWGPVGGP-OIISXLGYSA-N 1 1 276.424 2.837 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1nc2c(s1)CCC2 ZINC000095451036 375455446 /nfs/dbraw/zinc/45/54/46/375455446.db2.gz DQPRTEYPJSEVEG-VHSXEESVSA-N 1 1 276.409 2.777 50 0 CFAAMO CC[N@@H+](CCc1cccs1)Cc1ccc(N)nc1 ZINC000097162684 375535964 /nfs/dbraw/zinc/53/59/64/375535964.db2.gz UNEOPJRDCLMDIL-UHFFFAOYSA-N 1 1 261.394 2.790 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200496 375536704 /nfs/dbraw/zinc/53/67/04/375536704.db2.gz DXEZVWAPKXQJPR-AWEZNQCLSA-N 1 1 286.379 2.620 50 0 CFAAMO CCc1nn(C)cc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000097058778 375505373 /nfs/dbraw/zinc/50/53/73/375505373.db2.gz WEVYJCYOBIYTQL-LBPRGKRZSA-N 1 1 258.369 2.571 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000097058778 375505380 /nfs/dbraw/zinc/50/53/80/375505380.db2.gz WEVYJCYOBIYTQL-LBPRGKRZSA-N 1 1 258.369 2.571 50 0 CFAAMO CCc1noc([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000097100394 375516896 /nfs/dbraw/zinc/51/68/96/375516896.db2.gz VZCRGDLYQLSMKE-VHSXEESVSA-N 1 1 267.373 2.629 50 0 CFAAMO CC(=O)N1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000097103888 375518399 /nfs/dbraw/zinc/51/83/99/375518399.db2.gz QDFITXPNFXMXLU-LBPRGKRZSA-N 1 1 280.799 2.608 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1cccc(F)c1 ZINC000097107607 375519704 /nfs/dbraw/zinc/51/97/04/375519704.db2.gz ZPVQWWFWPSTENF-CKXPSTMWSA-N 1 1 290.382 2.830 50 0 CFAAMO C[C@H]1CCCC[C@H]1C[N@@H+](C)C1CCS(=O)CC1 ZINC000097108476 375521081 /nfs/dbraw/zinc/52/10/81/375521081.db2.gz ZFILPGGGRGTZSI-YRFCHQJDSA-N 1 1 257.443 2.656 50 0 CFAAMO C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)CCO2 ZINC000097113591 375524582 /nfs/dbraw/zinc/52/45/82/375524582.db2.gz HIQIUDIPDTTZFZ-UHFFFAOYSA-N 1 1 254.333 2.649 50 0 CFAAMO CN1CC[C@H](C[N@H+](C)Cc2ccc3cc(O)ccc3c2)C1 ZINC000097259215 375547268 /nfs/dbraw/zinc/54/72/68/375547268.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 1 1 284.403 2.929 50 0 CFAAMO CN1CC[C@H](C[N@@H+](C)Cc2ccc3cc(O)ccc3c2)C1 ZINC000097259215 375547273 /nfs/dbraw/zinc/54/72/73/375547273.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 1 1 284.403 2.929 50 0 CFAAMO CN(Cc1ccc2cc(O)ccc2c1)C[C@H]1CC[N@H+](C)C1 ZINC000097259215 375547278 /nfs/dbraw/zinc/54/72/78/375547278.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 1 1 284.403 2.929 50 0 CFAAMO CN(Cc1ccc2cc(O)ccc2c1)C[C@H]1CC[N@@H+](C)C1 ZINC000097259215 375547282 /nfs/dbraw/zinc/54/72/82/375547282.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 1 1 284.403 2.929 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000097272412 375547296 /nfs/dbraw/zinc/54/72/96/375547296.db2.gz FLRMSHAAEXFVLP-OMDKTOEGSA-N 1 1 261.365 2.555 50 0 CFAAMO CCOc1ccccc1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000097307142 375549006 /nfs/dbraw/zinc/54/90/06/375549006.db2.gz QQLWVVLDNKQHTJ-CQSZACIVSA-N 1 1 285.391 2.938 50 0 CFAAMO CO[C@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC000097324001 375550245 /nfs/dbraw/zinc/55/02/45/375550245.db2.gz XTVXCEHXUPTCPW-INIZCTEOSA-N 1 1 257.333 2.766 50 0 CFAAMO CCOc1ccccc1CNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000097575094 375568762 /nfs/dbraw/zinc/56/87/62/375568762.db2.gz OWOACSNAMIPAKW-HNNXBMFYSA-N 1 1 290.407 2.576 50 0 CFAAMO OC[C@@]1(O)CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC000097604188 375573500 /nfs/dbraw/zinc/57/35/00/375573500.db2.gz WPIJZGDEOMNHIC-MRXNPFEDSA-N 1 1 291.416 2.611 50 0 CFAAMO Cc1ccc(-n2cccn2)c(C[N@H+](C)Cc2cnccn2)c1 ZINC000097632054 375575068 /nfs/dbraw/zinc/57/50/68/375575068.db2.gz DYEVBZARQAUSMT-UHFFFAOYSA-N 1 1 293.374 2.603 50 0 CFAAMO Cc1ccc(-n2cccn2)c(C[N@@H+](C)Cc2cnccn2)c1 ZINC000097632054 375575073 /nfs/dbraw/zinc/57/50/73/375575073.db2.gz DYEVBZARQAUSMT-UHFFFAOYSA-N 1 1 293.374 2.603 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCNC(=O)CC(C)(C)c1ccccc1 ZINC000097694801 375579025 /nfs/dbraw/zinc/57/90/25/375579025.db2.gz CWLIQZFAKZJTID-INIZCTEOSA-N 1 1 288.435 2.955 50 0 CFAAMO Cc1n[nH]c(C[N@H+](C)CCC[C@@H]2CCCO2)c1Cl ZINC000097730185 375582823 /nfs/dbraw/zinc/58/28/23/375582823.db2.gz SOPPZPHMHKHCJV-LLVKDONJSA-N 1 1 271.792 2.763 50 0 CFAAMO Cc1n[nH]c(C[N@@H+](C)CCC[C@@H]2CCCO2)c1Cl ZINC000097730185 375582827 /nfs/dbraw/zinc/58/28/27/375582827.db2.gz SOPPZPHMHKHCJV-LLVKDONJSA-N 1 1 271.792 2.763 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)[C@H](C)Cc2cnccn2)cs1 ZINC000097772809 375583484 /nfs/dbraw/zinc/58/34/84/375583484.db2.gz IHVHMDWTJCIANW-LLVKDONJSA-N 1 1 289.404 2.804 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)[C@H](C)Cc2cnccn2)cs1 ZINC000097772809 375583487 /nfs/dbraw/zinc/58/34/87/375583487.db2.gz IHVHMDWTJCIANW-LLVKDONJSA-N 1 1 289.404 2.804 50 0 CFAAMO Cc1n[nH]cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000116373985 376182368 /nfs/dbraw/zinc/18/23/68/376182368.db2.gz FGZLRBUPHNQMBC-UHFFFAOYSA-N 1 1 262.382 2.734 50 0 CFAAMO Cn1cc(C[N@@H+](C)C/C=C/c2ccc(F)cc2)cn1 ZINC000119709331 376454913 /nfs/dbraw/zinc/45/49/13/376454913.db2.gz CFNFQYIIWVRENO-ONEGZZNKSA-N 1 1 259.328 2.704 50 0 CFAAMO Clc1cccc2c1CC[N@H+](CCn1cccn1)C2 ZINC000133884707 377965240 /nfs/dbraw/zinc/96/52/40/377965240.db2.gz OMOMJYJCGAMUPQ-UHFFFAOYSA-N 1 1 261.756 2.595 50 0 CFAAMO Clc1cccc2c1CC[N@@H+](CCn1cccn1)C2 ZINC000133884707 377965245 /nfs/dbraw/zinc/96/52/45/377965245.db2.gz OMOMJYJCGAMUPQ-UHFFFAOYSA-N 1 1 261.756 2.595 50 0 CFAAMO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000136832052 378210994 /nfs/dbraw/zinc/21/09/94/378210994.db2.gz RXNWDGOQBSECFP-CHWSQXEVSA-N 1 1 251.345 2.727 50 0 CFAAMO Cc1cccc(N2CCC[C@H](c3nnc4ccccn43)C2)[nH+]1 ZINC000156966120 378647585 /nfs/dbraw/zinc/64/75/85/378647585.db2.gz YBPTWWPMPQGMMQ-AWEZNQCLSA-N 1 1 293.374 2.817 50 0 CFAAMO c1ccc2c(c1)CCN(Cc1ccc3c(c1)C[NH2+]CCO3)C2 ZINC000169676641 379107677 /nfs/dbraw/zinc/10/76/77/379107677.db2.gz ZHVLCFHYQCYCBJ-UHFFFAOYSA-N 1 1 294.398 2.727 50 0 CFAAMO Fc1ccc(OCCc2noc([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000169676514 379107849 /nfs/dbraw/zinc/10/78/49/379107849.db2.gz JMNKMGDBTLWKAS-ZDUSSCGKSA-N 1 1 291.326 2.645 50 0 CFAAMO COc1ccc(CN(C)c2cccc(C)[nH+]2)cc1O ZINC000170604949 379126251 /nfs/dbraw/zinc/12/62/51/379126251.db2.gz GCSYSWPVYFAQOR-UHFFFAOYSA-N 1 1 258.321 2.741 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000170617590 379130723 /nfs/dbraw/zinc/13/07/23/379130723.db2.gz XWIBCLLRUOHOSS-SUMWQHHRSA-N 1 1 251.395 2.526 50 0 CFAAMO CC1CCC([N@@H+](C)CC(=O)NCc2ccc(F)cc2)CC1 ZINC000170073627 379115224 /nfs/dbraw/zinc/11/52/24/379115224.db2.gz MLAMSSKBOAOUIT-UHFFFAOYSA-N 1 1 292.398 2.952 50 0 CFAAMO CC[C@@](C)([NH2+]Cc1c[nH]nc1C)c1nc(C)cs1 ZINC000174504192 379898584 /nfs/dbraw/zinc/89/85/84/379898584.db2.gz LTIXUDNVBYWVEL-CYBMUJFWSA-N 1 1 264.398 2.898 50 0 CFAAMO C[C@H](CC[N@@H+]1CCN(C[C@H](C)O)C[C@H]1C)c1ccccc1 ZINC000408515556 380935875 /nfs/dbraw/zinc/93/58/75/380935875.db2.gz BRLQJCNQEKRTJM-ZACQAIPSSA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](CCN1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccccc1 ZINC000408515556 380935879 /nfs/dbraw/zinc/93/58/79/380935879.db2.gz BRLQJCNQEKRTJM-ZACQAIPSSA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](CCN1CC[N@H+](C[C@H](C)O)C[C@H]1C)c1ccccc1 ZINC000408515556 380935883 /nfs/dbraw/zinc/93/58/83/380935883.db2.gz BRLQJCNQEKRTJM-ZACQAIPSSA-N 1 1 290.451 2.567 50 0 CFAAMO CO[C@]12CC[N@@H+](Cc3sccc3C)[C@H]1C[C@H](O)CC2 ZINC000299773783 382046731 /nfs/dbraw/zinc/04/67/31/382046731.db2.gz HXQPJGZLFUMCHD-VHDGCEQUSA-N 1 1 281.421 2.561 50 0 CFAAMO COC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1Cc1ccccc1 ZINC000299791301 382048165 /nfs/dbraw/zinc/04/81/65/382048165.db2.gz CVNICRBBOSZMDF-MSOLQXFVSA-N 1 1 288.435 2.762 50 0 CFAAMO COC[C@@H]1CCCN1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299791301 382048176 /nfs/dbraw/zinc/04/81/76/382048176.db2.gz CVNICRBBOSZMDF-MSOLQXFVSA-N 1 1 288.435 2.762 50 0 CFAAMO COC[C@@H]1CCCN1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000299791301 382048185 /nfs/dbraw/zinc/04/81/85/382048185.db2.gz CVNICRBBOSZMDF-MSOLQXFVSA-N 1 1 288.435 2.762 50 0 CFAAMO COc1ccc2nc(C[N@H+]3CCC[C@@H](OC)C3)sc2c1 ZINC000186940716 382052062 /nfs/dbraw/zinc/05/20/62/382052062.db2.gz PAYOBARLXLBBTE-GFCCVEGCSA-N 1 1 292.404 2.916 50 0 CFAAMO COc1ccc2nc(C[N@@H+]3CCC[C@@H](OC)C3)sc2c1 ZINC000186940716 382052066 /nfs/dbraw/zinc/05/20/66/382052066.db2.gz PAYOBARLXLBBTE-GFCCVEGCSA-N 1 1 292.404 2.916 50 0 CFAAMO Cc1ccccc1OCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274363 382077181 /nfs/dbraw/zinc/07/71/81/382077181.db2.gz ADTGALUMSOTMAN-KRWDZBQOSA-N 1 1 275.392 2.876 50 0 CFAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000000461655 169647015 /nfs/dbraw/zinc/64/70/15/169647015.db2.gz SMXVTZJXOQAMLM-KRWDZBQOSA-N 1 1 286.419 2.829 50 0 CFAAMO COC[C@@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)cc1 ZINC000193282559 382718020 /nfs/dbraw/zinc/71/80/20/382718020.db2.gz RBOIFOWYTDUYSI-CQSZACIVSA-N 1 1 279.771 2.551 50 0 CFAAMO CC[C@H](NCC1([NH+](C)C)CCOCC1)c1ccccc1F ZINC000195553583 382769795 /nfs/dbraw/zinc/76/97/95/382769795.db2.gz YOOYSCQODXIZLZ-INIZCTEOSA-N 1 1 294.414 2.977 50 0 CFAAMO CCCn1cc(C[N@@H+](C)CC2(CO)CCCC2)c(C)n1 ZINC000215009205 382777694 /nfs/dbraw/zinc/77/76/94/382777694.db2.gz PVCRPCDOKZXRRF-UHFFFAOYSA-N 1 1 279.428 2.586 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)nc2)C1 ZINC000215474562 382778919 /nfs/dbraw/zinc/77/89/19/382778919.db2.gz FDXSNHWMJXYXSS-GFCCVEGCSA-N 1 1 289.404 2.673 50 0 CFAAMO CC(C)Nc1ncc(C[N@@H+](C)C2CCSCC2)cn1 ZINC000215531472 382779258 /nfs/dbraw/zinc/77/92/58/382779258.db2.gz BDZBBMPYBOUVDG-UHFFFAOYSA-N 1 1 280.441 2.624 50 0 CFAAMO CCOc1cc2c(cc1CN1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000215699957 382780120 /nfs/dbraw/zinc/78/01/20/382780120.db2.gz HFGYBFQJBNLYRI-CQSZACIVSA-N 1 1 288.435 2.710 50 0 CFAAMO Cc1ccc(CCCNC(=O)C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000215771178 382780286 /nfs/dbraw/zinc/78/02/86/382780286.db2.gz LHTBHTKQNRANRO-QGZVFWFLSA-N 1 1 288.435 2.918 50 0 CFAAMO CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890341 382780878 /nfs/dbraw/zinc/78/08/78/382780878.db2.gz LCRZPNVKXOTKBC-CQSZACIVSA-N 1 1 271.408 2.942 50 0 CFAAMO CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890341 382780879 /nfs/dbraw/zinc/78/08/79/382780879.db2.gz LCRZPNVKXOTKBC-CQSZACIVSA-N 1 1 271.408 2.942 50 0 CFAAMO CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890341 382780880 /nfs/dbraw/zinc/78/08/80/382780880.db2.gz LCRZPNVKXOTKBC-CQSZACIVSA-N 1 1 271.408 2.942 50 0 CFAAMO CCN1CC[C@H](C[N@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890341 382780881 /nfs/dbraw/zinc/78/08/81/382780881.db2.gz LCRZPNVKXOTKBC-CQSZACIVSA-N 1 1 271.408 2.942 50 0 CFAAMO CCN1CC[C@H](C[N@@H+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890341 382780882 /nfs/dbraw/zinc/78/08/82/382780882.db2.gz LCRZPNVKXOTKBC-CQSZACIVSA-N 1 1 271.408 2.942 50 0 CFAAMO CN(C)c1ccc(C[N@@H+](C)CCC[C@@H]2CCCO2)cn1 ZINC000215837293 382780893 /nfs/dbraw/zinc/78/08/93/382780893.db2.gz ARWXPSHLTJQOMA-OAHLLOKOSA-N 1 1 277.412 2.539 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)[C@H](C)Cc2ccccn2)n(C)c1 ZINC000215795591 382780937 /nfs/dbraw/zinc/78/09/37/382780937.db2.gz IFLMCDBTWZCRNS-CYBMUJFWSA-N 1 1 285.391 2.686 50 0 CFAAMO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2cscn2)C1 ZINC000215962102 382781277 /nfs/dbraw/zinc/78/12/77/382781277.db2.gz GXPDYXMQNFHTRF-HNNXBMFYSA-N 1 1 274.389 2.545 50 0 CFAAMO Cc1ccccc1[C@]1(O)CC[N@@H+](Cc2cscn2)C1 ZINC000215962102 382781278 /nfs/dbraw/zinc/78/12/78/382781278.db2.gz GXPDYXMQNFHTRF-HNNXBMFYSA-N 1 1 274.389 2.545 50 0 CFAAMO CCc1ncc(C[N@H+]2CCC[C@@]3(CCCO3)CC2)cn1 ZINC000216093176 382782109 /nfs/dbraw/zinc/78/21/09/382782109.db2.gz VQKORNHTNASSLR-MRXNPFEDSA-N 1 1 275.396 2.574 50 0 CFAAMO CCc1ncc(C[N@H+]2CCC[C@]3(CCCO3)CC2)cn1 ZINC000216093223 382782180 /nfs/dbraw/zinc/78/21/80/382782180.db2.gz VQKORNHTNASSLR-INIZCTEOSA-N 1 1 275.396 2.574 50 0 CFAAMO COc1ccc(C[N@H+](C)CCn2nc(C)cc2C)c(F)c1 ZINC000216240285 382782672 /nfs/dbraw/zinc/78/26/72/382782672.db2.gz IOSADWGNEDIPST-UHFFFAOYSA-N 1 1 291.370 2.780 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCn2nc(C)cc2C)c(F)c1 ZINC000216240285 382782674 /nfs/dbraw/zinc/78/26/74/382782674.db2.gz IOSADWGNEDIPST-UHFFFAOYSA-N 1 1 291.370 2.780 50 0 CFAAMO OC1(c2cccnc2)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000216476126 382783720 /nfs/dbraw/zinc/78/37/20/382783720.db2.gz MHGJFBHQAGKVBS-UHFFFAOYSA-N 1 1 292.766 2.812 50 0 CFAAMO CCn1ccnc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195085614 382761510 /nfs/dbraw/zinc/76/15/10/382761510.db2.gz DRJALFVVSIURPT-UHFFFAOYSA-N 1 1 276.365 2.568 50 0 CFAAMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc2c(c1)CCCC2 ZINC000221248647 382797712 /nfs/dbraw/zinc/79/77/12/382797712.db2.gz SZVFLHHOXPBQDC-QGZVFWFLSA-N 1 1 286.419 2.732 50 0 CFAAMO CC[N@H+]1CC[C@@H](Nc2cccc3c2OCCO3)[C@@H](C)C1 ZINC000221871277 382799858 /nfs/dbraw/zinc/79/98/58/382799858.db2.gz AIJCHPNYHMWZHA-QWHCGFSZSA-N 1 1 276.380 2.600 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000225259751 382813575 /nfs/dbraw/zinc/81/35/75/382813575.db2.gz COLXRMGKEGDIFK-YPMHNXCESA-N 1 1 261.369 2.959 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000225259751 382813576 /nfs/dbraw/zinc/81/35/76/382813576.db2.gz COLXRMGKEGDIFK-YPMHNXCESA-N 1 1 261.369 2.959 50 0 CFAAMO COc1cccc2c1CC[N@@H+](Cc1c[nH]c3nccnc13)C2 ZINC000225423087 382815873 /nfs/dbraw/zinc/81/58/73/382815873.db2.gz DEWDRMQPWBFNPS-UHFFFAOYSA-N 1 1 294.358 2.525 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000225597134 382819043 /nfs/dbraw/zinc/81/90/43/382819043.db2.gz YYRQMOOKWCSNJS-ZDUSSCGKSA-N 1 1 281.363 2.737 50 0 CFAAMO O=C(C1CC1)[C@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000225772437 382821563 /nfs/dbraw/zinc/82/15/63/382821563.db2.gz MYCXXWWPGMMQEH-OAHLLOKOSA-N 1 1 265.397 2.637 50 0 CFAAMO O=C(C1CC1)[C@H]1C[N@@H+](CCC2CCCCC2)CCO1 ZINC000225772437 382821565 /nfs/dbraw/zinc/82/15/65/382821565.db2.gz MYCXXWWPGMMQEH-OAHLLOKOSA-N 1 1 265.397 2.637 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000229385009 382851518 /nfs/dbraw/zinc/85/15/18/382851518.db2.gz ODFPTXGCNGHMSJ-KBPBESRZSA-N 1 1 278.783 2.697 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)c1cccnc1 ZINC000229555710 382852184 /nfs/dbraw/zinc/85/21/84/382852184.db2.gz NRNAWPNJVANNJB-IAOVAPTHSA-N 1 1 287.407 2.618 50 0 CFAAMO C[C@@H]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000230036758 382855310 /nfs/dbraw/zinc/85/53/10/382855310.db2.gz MPICTCIXWJIHQS-BMFZPTHFSA-N 1 1 274.408 2.984 50 0 CFAAMO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000421843622 382942534 /nfs/dbraw/zinc/94/25/34/382942534.db2.gz QYGBLYSFHYMEFA-ZJUUUORDSA-N 1 1 296.777 2.889 50 0 CFAAMO C[C@@H]1C[N@H+](CCSCc2ccccc2)CC[S@@](=O)C1 ZINC000241121830 382982181 /nfs/dbraw/zinc/98/21/81/382982181.db2.gz JEELDIIOOVRKBY-AUUYWEPGSA-N 1 1 297.489 2.620 50 0 CFAAMO C[C@@H]1C[N@@H+](CCSCc2ccccc2)CC[S@@](=O)C1 ZINC000241121830 382982186 /nfs/dbraw/zinc/98/21/86/382982186.db2.gz JEELDIIOOVRKBY-AUUYWEPGSA-N 1 1 297.489 2.620 50 0 CFAAMO C[C@H]1C[N@H+](CCSCc2ccccc2)CC[S@](=O)C1 ZINC000241121833 382982647 /nfs/dbraw/zinc/98/26/47/382982647.db2.gz JEELDIIOOVRKBY-LIRRHRJNSA-N 1 1 297.489 2.620 50 0 CFAAMO C[C@H]1C[N@@H+](CCSCc2ccccc2)CC[S@](=O)C1 ZINC000241121833 382982651 /nfs/dbraw/zinc/98/26/51/382982651.db2.gz JEELDIIOOVRKBY-LIRRHRJNSA-N 1 1 297.489 2.620 50 0 CFAAMO COCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C)c1 ZINC000240517171 382982701 /nfs/dbraw/zinc/98/27/01/382982701.db2.gz NWFAKVZWSRIURR-UHFFFAOYSA-N 1 1 298.814 2.944 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCSc1nc(=O)ccn1C1CC1 ZINC000242302077 382985397 /nfs/dbraw/zinc/98/53/97/382985397.db2.gz YPIWXGLXOPEAFO-GFCCVEGCSA-N 1 1 293.436 2.545 50 0 CFAAMO FCCCCC[NH+]1CCN(C2Cc3ccccc3C2)CC1 ZINC000244594148 382989327 /nfs/dbraw/zinc/98/93/27/382989327.db2.gz DHHDNYHWWJBPED-UHFFFAOYSA-N 1 1 290.426 2.911 50 0 CFAAMO COc1cc(C)ccc1OCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000244707934 382990650 /nfs/dbraw/zinc/99/06/50/382990650.db2.gz KKJASWAGHFGOMM-OAHLLOKOSA-N 1 1 293.407 2.883 50 0 CFAAMO Cc1nc[nH]c1C[N@@H+](C)[C@H](c1ccccn1)C1CC1 ZINC000244707949 382991717 /nfs/dbraw/zinc/99/17/17/382991717.db2.gz KKRQDLSKJSYYLU-HNNXBMFYSA-N 1 1 256.353 2.696 50 0 CFAAMO Cc1nc[nH]c1C[N@H+](C)[C@H](c1ccccn1)C1CC1 ZINC000244707949 382991723 /nfs/dbraw/zinc/99/17/23/382991723.db2.gz KKRQDLSKJSYYLU-HNNXBMFYSA-N 1 1 256.353 2.696 50 0 CFAAMO CCc1nc(CN(C)[C@H]2CCCc3ccccc32)n[nH]1 ZINC000244796123 382992585 /nfs/dbraw/zinc/99/25/85/382992585.db2.gz RTITVFLYBTZPRU-AWEZNQCLSA-N 1 1 270.380 2.877 50 0 CFAAMO C[N@@H+]1CCC[C@H]1CN1CCC(OCc2ccccc2)CC1 ZINC000244840257 382992677 /nfs/dbraw/zinc/99/26/77/382992677.db2.gz UJYJTDBDMDXKLZ-KRWDZBQOSA-N 1 1 288.435 2.762 50 0 CFAAMO C[N@H+]1CCC[C@H]1CN1CCC(OCc2ccccc2)CC1 ZINC000244840257 382992684 /nfs/dbraw/zinc/99/26/84/382992684.db2.gz UJYJTDBDMDXKLZ-KRWDZBQOSA-N 1 1 288.435 2.762 50 0 CFAAMO COCC[N@H+](Cc1nc2cc(C)ccc2[nH]1)CC1CC1 ZINC000244794860 382992851 /nfs/dbraw/zinc/99/28/51/382992851.db2.gz QVEWOXPLXSDILB-UHFFFAOYSA-N 1 1 273.380 2.730 50 0 CFAAMO COCC[N@@H+](Cc1nc2ccc(C)cc2[nH]1)CC1CC1 ZINC000244794860 382992854 /nfs/dbraw/zinc/99/28/54/382992854.db2.gz QVEWOXPLXSDILB-UHFFFAOYSA-N 1 1 273.380 2.730 50 0 CFAAMO COC[C@H]1CCC[N@H+]1CCCOc1ccc(OC)cc1 ZINC000244874679 382994497 /nfs/dbraw/zinc/99/44/97/382994497.db2.gz XFNAITNWDOFGJB-CQSZACIVSA-N 1 1 279.380 2.575 50 0 CFAAMO CCC[C@@H](C[N@H+](C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000245338716 382997801 /nfs/dbraw/zinc/99/78/01/382997801.db2.gz OAGMJIYLKKHOOL-HOTGVXAUSA-N 1 1 295.448 2.689 50 0 CFAAMO CCC[C@@H](C[N@@H+](C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000245338716 382997806 /nfs/dbraw/zinc/99/78/06/382997806.db2.gz OAGMJIYLKKHOOL-HOTGVXAUSA-N 1 1 295.448 2.689 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C12CCC2 ZINC000247136704 383145835 /nfs/dbraw/zinc/14/58/35/383145835.db2.gz AWTPMGAGJUTLCY-DGADGQDISA-N 1 1 280.456 2.652 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccoc1C ZINC000248036231 383207754 /nfs/dbraw/zinc/20/77/54/383207754.db2.gz QXWQBHLVBLLNHI-LSDHHAIUSA-N 1 1 276.380 2.677 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC=CC1 ZINC000248859610 383299309 /nfs/dbraw/zinc/29/93/09/383299309.db2.gz PPQZYQWXXYHCCV-RHSMWYFYSA-N 1 1 284.403 2.589 50 0 CFAAMO Cc1nc(C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)n(C)n1 ZINC000426412702 383399011 /nfs/dbraw/zinc/39/90/11/383399011.db2.gz NCVHLGOFOWJVFQ-OAHLLOKOSA-N 1 1 284.407 2.749 50 0 CFAAMO c1cnn(CC[N@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000426398080 383399050 /nfs/dbraw/zinc/39/90/50/383399050.db2.gz RCQMBIUJAWEVOV-HNNXBMFYSA-N 1 1 256.353 2.505 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1cc2cc(F)ccc2o1 ZINC000426550663 383405485 /nfs/dbraw/zinc/40/54/85/383405485.db2.gz RFXITIOTPPQMAT-CYBMUJFWSA-N 1 1 290.338 2.786 50 0 CFAAMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCSC(C)(C)C)[C@@H]2C1 ZINC000252489476 383413116 /nfs/dbraw/zinc/41/31/16/383413116.db2.gz JRTAWNCELQBPRA-MGPQQGTHSA-N 1 1 287.469 2.786 50 0 CFAAMO C[N@@H+](Cc1cc(Br)no1)C1CCCC1 ZINC000253393433 383454270 /nfs/dbraw/zinc/45/42/70/383454270.db2.gz BYAIKBSAXTYDBE-UHFFFAOYSA-N 1 1 259.147 2.812 50 0 CFAAMO CCn1nccc1CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000253420886 383459093 /nfs/dbraw/zinc/45/90/93/383459093.db2.gz NGOZKEABIFDXFE-YJBOKZPZSA-N 1 1 299.418 2.908 50 0 CFAAMO C[C@@H]([NH2+][C@H]1CC(C)(C)CCc2ccccc21)c1nnnn1C ZINC000253429972 383460104 /nfs/dbraw/zinc/46/01/04/383460104.db2.gz VGDUDXCXUMJDQE-DOMZBBRYSA-N 1 1 299.422 2.965 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)C(C)C)C2)n1C1CC1 ZINC000257176738 383489832 /nfs/dbraw/zinc/48/98/32/383489832.db2.gz DBSNRTFCXIJBKB-CYBMUJFWSA-N 1 1 275.396 2.573 50 0 CFAAMO CC(=O)N1CCC[C@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000257185247 383492006 /nfs/dbraw/zinc/49/20/06/383492006.db2.gz JJIAHOWJRGVQEI-CQSZACIVSA-N 1 1 263.385 2.573 50 0 CFAAMO Cn1cc(CC[N@@H+](Cc2ccc(F)cc2F)C2CC2)cn1 ZINC000265567548 383946718 /nfs/dbraw/zinc/94/67/18/383946718.db2.gz GTPSBSSKRLQSQX-UHFFFAOYSA-N 1 1 291.345 2.905 50 0 CFAAMO CC1(C)[C@H](Nc2cc[nH+]cc2Cl)[C@H]2CCO[C@H]21 ZINC000267433763 384390506 /nfs/dbraw/zinc/39/05/06/384390506.db2.gz XKAWRWQSAQYDHK-GGZOMVNGSA-N 1 1 252.745 2.960 50 0 CFAAMO Cc1c[nH+]ccc1OC1CCN(C(=O)C2CCCC2)CC1 ZINC000278396016 384555215 /nfs/dbraw/zinc/55/52/15/384555215.db2.gz QQRNBOQXUDBYIQ-UHFFFAOYSA-N 1 1 288.391 2.950 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)nn1 ZINC000283276477 385452537 /nfs/dbraw/zinc/45/25/37/385452537.db2.gz WVXUKZCKFIMNNP-OAHLLOKOSA-N 1 1 298.390 2.562 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1c[nH]nc1-c1cccs1 ZINC000035052655 260006368 /nfs/dbraw/zinc/00/63/68/260006368.db2.gz RIIVBOZFETVGJI-ZDUSSCGKSA-N 1 1 290.436 2.712 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1c[nH]nc1-c1cccs1 ZINC000035052655 260006369 /nfs/dbraw/zinc/00/63/69/260006369.db2.gz RIIVBOZFETVGJI-ZDUSSCGKSA-N 1 1 290.436 2.712 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648789 256867984 /nfs/dbraw/zinc/86/79/84/256867984.db2.gz RIJFNUHYNBVLOZ-QVHKTLOISA-N 1 1 284.359 2.655 50 0 CFAAMO CCn1c(C)cc(CN(C)c2cc[nH+]c(N(C)C)n2)c1C ZINC000080707431 177694618 /nfs/dbraw/zinc/69/46/18/177694618.db2.gz UJKBFKAKDYLKEW-UHFFFAOYSA-N 1 1 287.411 2.617 50 0 CFAAMO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000245316864 131085496 /nfs/dbraw/zinc/08/54/96/131085496.db2.gz KYLMXVANZPRWHC-GDBMZVCRSA-N 1 1 291.366 2.899 50 0 CFAAMO c1cc2c(nc[nH+]c2NCCCOC2CCCC2)[nH]1 ZINC000263794527 131332178 /nfs/dbraw/zinc/33/21/78/131332178.db2.gz OJFQXNLXBVHYHP-UHFFFAOYSA-N 1 1 260.341 2.719 50 0 CFAAMO Cc1cc2nc(Nc3nc(C)c(C)c(=O)[n-]3)[nH]c2cc1C ZINC000008647918 393469386 /nfs/dbraw/zinc/46/93/86/393469386.db2.gz LHZSLECVHSLEFO-UHFFFAOYSA-N 1 1 283.335 2.623 50 0 CFAAMO CC[C@H](CNC(=O)c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000032445806 393512493 /nfs/dbraw/zinc/51/24/93/393512493.db2.gz YDPQUWNBRQDBIY-MRXNPFEDSA-N 1 1 298.386 2.846 50 0 CFAAMO CC[NH2+]CCCN1CCC(Cc2ccccc2)CC1 ZINC000048784586 393601372 /nfs/dbraw/zinc/60/13/72/393601372.db2.gz RFEDXRAWMNTZSX-UHFFFAOYSA-N 1 1 260.425 2.941 50 0 CFAAMO CCOC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccncc2)CC1 ZINC000065465499 393631390 /nfs/dbraw/zinc/63/13/90/393631390.db2.gz MHQCTOWYDRRJSL-CYBMUJFWSA-N 1 1 291.395 2.695 50 0 CFAAMO CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000071883381 393641609 /nfs/dbraw/zinc/64/16/09/393641609.db2.gz FSZRAIPZYLSNIH-LBPRGKRZSA-N 1 1 252.402 2.556 50 0 CFAAMO CC(C)(O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000096441656 393833813 /nfs/dbraw/zinc/83/38/13/393833813.db2.gz QTTOBDWZSKPAEH-ZDUSSCGKSA-N 1 1 265.422 2.872 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000239275011 393796983 /nfs/dbraw/zinc/79/69/83/393796983.db2.gz BBMNTDYLHOUHAS-ZFWWWQNUSA-N 1 1 286.375 2.583 50 0 CFAAMO C[C@@H]1CC[N@H+](CCCS(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000239672829 393798168 /nfs/dbraw/zinc/79/81/68/393798168.db2.gz BVNNASCLUFZTHB-IUODEOHRSA-N 1 1 299.411 2.643 50 0 CFAAMO C[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000239672829 393798169 /nfs/dbraw/zinc/79/81/69/393798169.db2.gz BVNNASCLUFZTHB-IUODEOHRSA-N 1 1 299.411 2.643 50 0 CFAAMO c1ccc(C[N@@H+]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000096341562 393818995 /nfs/dbraw/zinc/81/89/95/393818995.db2.gz XWJXHUZDXHRUKE-MRXNPFEDSA-N 1 1 254.333 2.655 50 0 CFAAMO c1ccc(C[N@H+]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000096341562 393818999 /nfs/dbraw/zinc/81/89/99/393818999.db2.gz XWJXHUZDXHRUKE-MRXNPFEDSA-N 1 1 254.333 2.655 50 0 CFAAMO O=C(N[C@H]1CC=CCC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096412785 393824562 /nfs/dbraw/zinc/82/45/62/393824562.db2.gz YYZYOMGPPKSSSN-IRXDYDNUSA-N 1 1 299.418 2.661 50 0 CFAAMO O=C(N[C@H]1CC=CCC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096412785 393824566 /nfs/dbraw/zinc/82/45/66/393824566.db2.gz YYZYOMGPPKSSSN-IRXDYDNUSA-N 1 1 299.418 2.661 50 0 CFAAMO CCC[N@H+](Cc1nnc(C)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000096419652 393827213 /nfs/dbraw/zinc/82/72/13/393827213.db2.gz RMAFSFASDYYPIG-OLZOCXBDSA-N 1 1 281.400 2.794 50 0 CFAAMO CCC[N@@H+](Cc1nnc(C)o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000096419652 393827216 /nfs/dbraw/zinc/82/72/16/393827216.db2.gz RMAFSFASDYYPIG-OLZOCXBDSA-N 1 1 281.400 2.794 50 0 CFAAMO CCS(=O)(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000096424519 393829669 /nfs/dbraw/zinc/82/96/69/393829669.db2.gz NPZBPOKYUNTKGA-INIZCTEOSA-N 1 1 295.448 2.875 50 0 CFAAMO CCc1nn(C)cc1C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000097033965 393840545 /nfs/dbraw/zinc/84/05/45/393840545.db2.gz ZBMXNGIZQNDQRO-AWEZNQCLSA-N 1 1 299.418 2.981 50 0 CFAAMO C[C@H]([NH2+]Cc1cccnc1)c1nc2ccccc2n1C ZINC000097971389 393842108 /nfs/dbraw/zinc/84/21/08/393842108.db2.gz HMGOZOWRGGZWKC-LBPRGKRZSA-N 1 1 266.348 2.819 50 0 CFAAMO c1nnc([C@@H]2CCC[N@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000252510366 393937044 /nfs/dbraw/zinc/93/70/44/393937044.db2.gz ZIMQHLIMDIXGKM-OAHLLOKOSA-N 1 1 292.427 2.581 50 0 CFAAMO C[N@H+]1CC[C@H]2CCN(c3ccc4ccc(F)cc4n3)[C@H]2C1 ZINC000252510650 393937315 /nfs/dbraw/zinc/93/73/15/393937315.db2.gz BBTOBVZBLRCIPD-BBRMVZONSA-N 1 1 285.366 2.904 50 0 CFAAMO Fc1ccccc1-c1nnc(C[NH+]2CCCCC2)o1 ZINC000030824860 542991962 /nfs/dbraw/zinc/99/19/62/542991962.db2.gz UIICNROKJJWGPB-UHFFFAOYSA-N 1 1 261.300 2.862 50 0 CFAAMO COc1ncc(C[N@@H+](C)[C@H]2CCCc3ccccc32)cn1 ZINC000824851761 781999319 /nfs/dbraw/zinc/99/93/19/781999319.db2.gz DCJPCIVWRRXSSW-INIZCTEOSA-N 1 1 283.375 2.995 50 0 CFAAMO CC[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000047385270 397585770 /nfs/dbraw/zinc/58/57/70/397585770.db2.gz NPZQLSOFICPMIK-SNVBAGLBSA-N 1 1 258.325 2.560 50 0 CFAAMO Clc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)c(Cl)c1 ZINC000008733377 397537385 /nfs/dbraw/zinc/53/73/85/397537385.db2.gz QCZQZNFHJQAOJR-NSHDSACASA-N 1 1 268.147 2.952 50 0 CFAAMO OCC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000047719587 397587783 /nfs/dbraw/zinc/58/77/83/397587783.db2.gz BLXIYWTVXXOPJM-UHFFFAOYSA-N 1 1 290.226 2.715 50 0 CFAAMO Cc1cnn(-c2ccc(N[C@@H]3C[N@H+](C)C[C@H]3C)cc2F)c1 ZINC000108121995 397598006 /nfs/dbraw/zinc/59/80/06/397598006.db2.gz FGGABPFQXWWFAE-IUODEOHRSA-N 1 1 288.370 2.682 50 0 CFAAMO Oc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000195575908 397611988 /nfs/dbraw/zinc/61/19/88/397611988.db2.gz DREYRAQDTVUDBG-UHFFFAOYSA-N 1 1 298.386 2.837 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)C[C@@H](C)C(F)(F)F ZINC000216462143 397620143 /nfs/dbraw/zinc/62/01/43/397620143.db2.gz VCXVUNPIJGUBGT-MRVPVSSYSA-N 1 1 263.307 2.699 50 0 CFAAMO CC(C)C(=O)N[C@H]1CCC[N@@H+](CCSC(C)(C)C)C1 ZINC000252486026 397628472 /nfs/dbraw/zinc/62/84/72/397628472.db2.gz HHFINGSCEZKMTE-ZDUSSCGKSA-N 1 1 286.485 2.755 50 0 CFAAMO Cc1ccc([C@@H]2C[N@H+](CC3CC3)C[C@H]2N(C)C)cc1 ZINC000095528692 292219750 /nfs/dbraw/zinc/21/97/50/292219750.db2.gz KVMOPJSJYPFUFT-DLBZAZTESA-N 1 1 258.409 2.734 50 0 CFAAMO COc1ccc([C@H]2C[C@H](C)C[N@@H+]2CC(OC)OC)cc1 ZINC000225450594 286379472 /nfs/dbraw/zinc/37/94/72/286379472.db2.gz ORUILKNKMRCGHV-SWLSCSKDSA-N 1 1 279.380 2.697 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000004746279 170010821 /nfs/dbraw/zinc/01/08/21/170010821.db2.gz OCFZAUQTDLXNAE-KRWDZBQOSA-N 1 1 286.419 2.829 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(C=O)cc2)C1 ZINC000004840930 170027764 /nfs/dbraw/zinc/02/77/64/170027764.db2.gz HMFBUSMMRGDVNG-CQSZACIVSA-N 1 1 261.365 3.000 50 0 CFAAMO CCOC(=O)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000005326245 170085927 /nfs/dbraw/zinc/08/59/27/170085927.db2.gz SBLOJVMHVGRPPA-HNNXBMFYSA-N 1 1 261.365 2.647 50 0 CFAAMO O=C(C[NH+]1CCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000006472100 170203714 /nfs/dbraw/zinc/20/37/14/170203714.db2.gz OTPMAMFMGRXYAO-UHFFFAOYSA-N 1 1 272.270 2.740 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000006703847 170230586 /nfs/dbraw/zinc/23/05/86/170230586.db2.gz KQDZOGXZCXAFJI-HNNXBMFYSA-N 1 1 291.391 2.731 50 0 CFAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CCCCC1 ZINC000007853936 170305296 /nfs/dbraw/zinc/30/52/96/170305296.db2.gz ROSJDCBUTPHCGS-INIZCTEOSA-N 1 1 289.423 2.611 50 0 CFAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)NC1CCCCC1 ZINC000007853936 170305298 /nfs/dbraw/zinc/30/52/98/170305298.db2.gz ROSJDCBUTPHCGS-INIZCTEOSA-N 1 1 289.423 2.611 50 0 CFAAMO CSCCC[N@H+]1CCO[C@@H](Cc2ccc(F)cc2)C1 ZINC000020211306 171074925 /nfs/dbraw/zinc/07/49/25/171074925.db2.gz CDXRVSQXZHYJFC-HNNXBMFYSA-N 1 1 283.412 2.822 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)CCOc1ccccc1C ZINC000020390538 171179773 /nfs/dbraw/zinc/17/97/73/171179773.db2.gz ZWLWGPHRPCTMFH-UHFFFAOYSA-N 1 1 287.407 2.888 50 0 CFAAMO CC[NH+]1CCN(CCCCOc2ccccc2F)CC1 ZINC000020406469 171182220 /nfs/dbraw/zinc/18/22/20/171182220.db2.gz QXMJQVWGWLWLKK-UHFFFAOYSA-N 1 1 280.387 2.622 50 0 CFAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccco1 ZINC000020493330 171226912 /nfs/dbraw/zinc/22/69/12/171226912.db2.gz FZWDJMYYOHRELV-UHFFFAOYSA-N 1 1 281.315 2.704 50 0 CFAAMO CC(C)[C@@H](CCN1CC[NH+](C)CC1)c1ccco1 ZINC000020590254 171260759 /nfs/dbraw/zinc/26/07/59/171260759.db2.gz BCVOUWPAEAWMBC-CQSZACIVSA-N 1 1 250.386 2.657 50 0 CFAAMO c1ccc(C[N@H+]2CC[C@H](Nc3cccnc3)C2)cc1 ZINC000020595767 171264393 /nfs/dbraw/zinc/26/43/93/171264393.db2.gz DJGWRASYZQYGLL-INIZCTEOSA-N 1 1 253.349 2.768 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)C[C@H](C)Oc2ccccc2)n1 ZINC000020601546 171266832 /nfs/dbraw/zinc/26/68/32/171266832.db2.gz JIEOCSXJJWKSTL-ZDUSSCGKSA-N 1 1 259.353 2.617 50 0 CFAAMO Cc1c[nH]c(C[N@H+](C)C[C@H](C)Oc2ccccc2)n1 ZINC000020601546 171266833 /nfs/dbraw/zinc/26/68/33/171266833.db2.gz JIEOCSXJJWKSTL-ZDUSSCGKSA-N 1 1 259.353 2.617 50 0 CFAAMO c1cc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)n[nH]1 ZINC000020911889 171279573 /nfs/dbraw/zinc/27/95/73/171279573.db2.gz KWRMFERPKASORF-INIZCTEOSA-N 1 1 270.380 2.792 50 0 CFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000021659745 171318527 /nfs/dbraw/zinc/31/85/27/171318527.db2.gz PZDMKXIRAAFBAU-ZDUSSCGKSA-N 1 1 288.347 2.830 50 0 CFAAMO CCN1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC000022077647 171352459 /nfs/dbraw/zinc/35/24/59/171352459.db2.gz FPQOGANUUOVALW-ZDUSSCGKSA-N 1 1 250.386 2.719 50 0 CFAAMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)NCC[NH+](C)C ZINC000025763840 171465651 /nfs/dbraw/zinc/46/56/51/171465651.db2.gz YRYHZTDMVWWJPM-ZIAGYGMSSA-N 1 1 291.439 2.678 50 0 CFAAMO CC[C@@H](C)[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000035532312 172243382 /nfs/dbraw/zinc/24/33/82/172243382.db2.gz JASTXYIDBLQRNL-PELKAZGASA-N 1 1 275.308 2.511 50 0 CFAAMO CC[C@@H](C)[C@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000035532458 172243535 /nfs/dbraw/zinc/24/35/35/172243535.db2.gz LKHLAPPWDALYPP-SKDRFNHKSA-N 1 1 261.325 2.791 50 0 CFAAMO CC[C@H](C)[C@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000035532461 172243805 /nfs/dbraw/zinc/24/38/05/172243805.db2.gz LKHLAPPWDALYPP-CABZTGNLSA-N 1 1 261.325 2.791 50 0 CFAAMO COc1ccc([C@H](C)NC2CC[NH+](C)CC2)cc1F ZINC000037249275 173060864 /nfs/dbraw/zinc/06/08/64/173060864.db2.gz VLZAOIFFQXZWSV-NSHDSACASA-N 1 1 266.360 2.579 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)Nc1cccs1)c1ccco1 ZINC000038630150 174149845 /nfs/dbraw/zinc/14/98/45/174149845.db2.gz NRTUHNBTLLTUKW-SNVBAGLBSA-N 1 1 279.365 2.766 50 0 CFAAMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000039987523 174181721 /nfs/dbraw/zinc/18/17/21/174181721.db2.gz RHBYZSVXOUHGNK-INIZCTEOSA-N 1 1 268.360 2.680 50 0 CFAAMO CC(C)Oc1ccccc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000044533053 175196469 /nfs/dbraw/zinc/19/64/69/175196469.db2.gz HWMCYKFILGUHJG-HNNXBMFYSA-N 1 1 276.424 2.905 50 0 CFAAMO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533053 175196474 /nfs/dbraw/zinc/19/64/74/175196474.db2.gz HWMCYKFILGUHJG-HNNXBMFYSA-N 1 1 276.424 2.905 50 0 CFAAMO COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533350 175196778 /nfs/dbraw/zinc/19/67/78/175196778.db2.gz VFETUJSFKPCWAY-CABCVRRESA-N 1 1 276.424 2.558 50 0 CFAAMO Cc1noc(C)c1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000046171306 175394092 /nfs/dbraw/zinc/39/40/92/175394092.db2.gz CNHAECOMSGESCD-UHFFFAOYSA-N 1 1 299.418 2.918 50 0 CFAAMO COCC[N@H+]1CC[C@@H](CNc2nc3ccccc3s2)C1 ZINC000049441655 175477546 /nfs/dbraw/zinc/47/75/46/175477546.db2.gz VYUWRDGOHYTCAO-LBPRGKRZSA-N 1 1 291.420 2.677 50 0 CFAAMO O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1 ZINC000057554318 175598858 /nfs/dbraw/zinc/59/88/58/175598858.db2.gz VMKZCMITJZECCG-QGZVFWFLSA-N 1 1 298.361 2.935 50 0 CFAAMO Cc1ccc(C[N@H+](C)Cc2cc(C)n(-n3cnnc3)c2C)o1 ZINC000071752622 176260182 /nfs/dbraw/zinc/26/01/82/176260182.db2.gz OTGPINIJGWDENA-UHFFFAOYSA-N 1 1 299.378 2.541 50 0 CFAAMO Cc1[nH]c2ccc(CNc3nc(N)cc[nH+]3)cc2c1C ZINC000071755421 176260839 /nfs/dbraw/zinc/26/08/39/176260839.db2.gz FGWSBXOIMOTPLB-UHFFFAOYSA-N 1 1 267.336 2.769 50 0 CFAAMO Cc1ccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)o1 ZINC000071796168 176264347 /nfs/dbraw/zinc/26/43/47/176264347.db2.gz HBHRLMDBJBGOQH-INIZCTEOSA-N 1 1 282.347 2.711 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000071819604 176270875 /nfs/dbraw/zinc/27/08/75/176270875.db2.gz GLIPJSPIYWGSMF-UHFFFAOYSA-N 1 1 299.296 2.949 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000071828176 176272525 /nfs/dbraw/zinc/27/25/25/176272525.db2.gz SJDZVXPLNVRGOL-WBVHZDCISA-N 1 1 285.391 2.976 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000071870857 176283637 /nfs/dbraw/zinc/28/36/37/176283637.db2.gz FOHAFWLAFQWAGV-CYBMUJFWSA-N 1 1 286.379 2.812 50 0 CFAAMO O[C@@H]1C[C@H](C2CCCCC2)[N@@H+](CCc2ccncc2)C1 ZINC000071907943 176297092 /nfs/dbraw/zinc/29/70/92/176297092.db2.gz XXBWFZPNZNZKLD-IAGOWNOFSA-N 1 1 274.408 2.640 50 0 CFAAMO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2cccnc2)oc1C ZINC000071915616 176299463 /nfs/dbraw/zinc/29/94/63/176299463.db2.gz QHFYQRXEKNWZNZ-LLVKDONJSA-N 1 1 288.347 2.963 50 0 CFAAMO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2cccnc2)oc1C ZINC000071915616 176299464 /nfs/dbraw/zinc/29/94/64/176299464.db2.gz QHFYQRXEKNWZNZ-LLVKDONJSA-N 1 1 288.347 2.963 50 0 CFAAMO Cc1nccn1CCC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000072133022 176321748 /nfs/dbraw/zinc/32/17/48/176321748.db2.gz YJDWDSZIFAZMET-GEEKYZPCSA-N 1 1 259.397 2.560 50 0 CFAAMO Cc1ncc(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)n1C ZINC000072154395 176328281 /nfs/dbraw/zinc/32/82/81/176328281.db2.gz DVUPTAXTKBXIBL-UHFFFAOYSA-N 1 1 295.390 2.546 50 0 CFAAMO Cc1ncc(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)n1C ZINC000072154395 176328282 /nfs/dbraw/zinc/32/82/82/176328282.db2.gz DVUPTAXTKBXIBL-UHFFFAOYSA-N 1 1 295.390 2.546 50 0 CFAAMO c1csc(CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072278796 176357143 /nfs/dbraw/zinc/35/71/43/176357143.db2.gz DDHQXMFNMOZRGG-LBPRGKRZSA-N 1 1 261.394 2.893 50 0 CFAAMO c1csc(CC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072278796 176357144 /nfs/dbraw/zinc/35/71/44/176357144.db2.gz DDHQXMFNMOZRGG-LBPRGKRZSA-N 1 1 261.394 2.893 50 0 CFAAMO c1csc(CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072278796 176357145 /nfs/dbraw/zinc/35/71/45/176357145.db2.gz DDHQXMFNMOZRGG-LBPRGKRZSA-N 1 1 261.394 2.893 50 0 CFAAMO Cc1ncsc1CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072291813 176361985 /nfs/dbraw/zinc/36/19/85/176361985.db2.gz SGWBXSQYBSBJLT-LBPRGKRZSA-N 1 1 276.409 2.597 50 0 CFAAMO Cc1ncsc1CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072291813 176361988 /nfs/dbraw/zinc/36/19/88/176361988.db2.gz SGWBXSQYBSBJLT-LBPRGKRZSA-N 1 1 276.409 2.597 50 0 CFAAMO Cc1ncsc1CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072291813 176361990 /nfs/dbraw/zinc/36/19/90/176361990.db2.gz SGWBXSQYBSBJLT-LBPRGKRZSA-N 1 1 276.409 2.597 50 0 CFAAMO Cc1[nH+]cn(CCOc2ccc3c(C)cc(=O)oc3c2)c1C ZINC000072293940 176363142 /nfs/dbraw/zinc/36/31/42/176363142.db2.gz YJMBHXOZSFOBGP-UHFFFAOYSA-N 1 1 298.342 2.994 50 0 CFAAMO CC1CCC(O)(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000072296485 176363481 /nfs/dbraw/zinc/36/34/81/176363481.db2.gz ZCVLLTQMBIGTEL-NPCAHTBFSA-N 1 1 277.412 2.530 50 0 CFAAMO CC1CCC(O)(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)CC1 ZINC000072296485 176363483 /nfs/dbraw/zinc/36/34/83/176363483.db2.gz ZCVLLTQMBIGTEL-NPCAHTBFSA-N 1 1 277.412 2.530 50 0 CFAAMO CC1CCC(O)(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)CC1 ZINC000072296485 176363484 /nfs/dbraw/zinc/36/34/84/176363484.db2.gz ZCVLLTQMBIGTEL-NPCAHTBFSA-N 1 1 277.412 2.530 50 0 CFAAMO Cc1csc([C@H]2CCCCN2C(=O)C[N@H+](C)C2CC2)n1 ZINC000072300350 176364737 /nfs/dbraw/zinc/36/47/37/176364737.db2.gz LLOMQNZVDHFELX-CYBMUJFWSA-N 1 1 293.436 2.599 50 0 CFAAMO c1cn(CC[C@H]2CCCC[N@H+]2Cc2ccccn2)cn1 ZINC000077556430 177280464 /nfs/dbraw/zinc/28/04/64/177280464.db2.gz HRNYGGQDQXJFSP-MRXNPFEDSA-N 1 1 270.380 2.723 50 0 CFAAMO C[C@@H]1C[N@H+](CCCCOc2cccc(C=O)c2)C[C@H](C)O1 ZINC000016489055 260099328 /nfs/dbraw/zinc/09/93/28/260099328.db2.gz IGDCSMWFIAUHNE-GASCZTMLSA-N 1 1 291.391 2.767 50 0 CFAAMO CC(C)Oc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488858 260099415 /nfs/dbraw/zinc/09/94/15/260099415.db2.gz XMYVFSCCOWFUCW-GASCZTMLSA-N 1 1 293.407 2.962 50 0 CFAAMO CC(C)Oc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488858 260099416 /nfs/dbraw/zinc/09/94/16/260099416.db2.gz XMYVFSCCOWFUCW-GASCZTMLSA-N 1 1 293.407 2.962 50 0 CFAAMO Cc1ccccc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026219686 260131176 /nfs/dbraw/zinc/13/11/76/260131176.db2.gz RVGMFEAMNLIFLD-BBRMVZONSA-N 1 1 268.360 2.872 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000035292713 260150671 /nfs/dbraw/zinc/15/06/71/260150671.db2.gz YTDYZSCOKRCAOU-HOTGVXAUSA-N 1 1 295.398 2.968 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC2(C)C)cc1 ZINC000827693848 782040789 /nfs/dbraw/zinc/04/07/89/782040789.db2.gz XPZAJAXGMXNOHZ-HNNXBMFYSA-N 1 1 283.375 2.843 50 0 CFAAMO CCCc1noc(C[N@H+]2CCC[C@@]2(CCC)COC)n1 ZINC000194933983 270248614 /nfs/dbraw/zinc/24/86/14/270248614.db2.gz JNKUMAOELYVNPW-HNNXBMFYSA-N 1 1 281.400 2.803 50 0 CFAAMO CC1(C)C[C@H](O)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000395404066 270313041 /nfs/dbraw/zinc/31/30/41/270313041.db2.gz UOSQVQOZRCWZED-CQSZACIVSA-N 1 1 281.371 2.687 50 0 CFAAMO C[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](C)O ZINC000000757396 274266874 /nfs/dbraw/zinc/26/68/74/274266874.db2.gz BNUNIMZITWKVNR-AOOOYVTPSA-N 1 1 292.206 2.557 50 0 CFAAMO O[C@@H](C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(F)cc1 ZINC000096452808 275050710 /nfs/dbraw/zinc/05/07/10/275050710.db2.gz DJCLWRZMYFAXTO-KRWDZBQOSA-N 1 1 286.350 2.919 50 0 CFAAMO c1c[nH+]c([C@@H]2CCCN(c3nc4ccccc4o3)C2)[nH]1 ZINC000075721865 275063840 /nfs/dbraw/zinc/06/38/40/275063840.db2.gz JOWIRXNFFMZOBO-LLVKDONJSA-N 1 1 268.320 2.935 50 0 CFAAMO Brc1ccc2c(c1)[nH+]ccc2N1CCOCC1 ZINC000098010271 275372630 /nfs/dbraw/zinc/37/26/30/275372630.db2.gz XXHJAGUEMHCMSF-UHFFFAOYSA-N 1 1 293.164 2.834 50 0 CFAAMO CC(C)c1nnc2n1CC[N@@H+](CC1CCCCC1)C2 ZINC000071871966 276076968 /nfs/dbraw/zinc/07/69/68/276076968.db2.gz URDCHTFUBUTQLU-UHFFFAOYSA-N 1 1 262.401 2.797 50 0 CFAAMO CC(C)c1nnc2n1CC[N@H+](CC1CCCCC1)C2 ZINC000071871966 276076971 /nfs/dbraw/zinc/07/69/71/276076971.db2.gz URDCHTFUBUTQLU-UHFFFAOYSA-N 1 1 262.401 2.797 50 0 CFAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000110641731 278146800 /nfs/dbraw/zinc/14/68/00/278146800.db2.gz QRJJLLHDFYKSKX-ZIAGYGMSSA-N 1 1 284.469 2.605 50 0 CFAAMO CC[C@H]1C[N@@H+](CCSC(C)(C)C)C[C@]2(CCOC2)O1 ZINC000252489602 288289726 /nfs/dbraw/zinc/28/97/26/288289726.db2.gz JUQMONLPBJRHHO-ZFWWWQNUSA-N 1 1 287.469 2.788 50 0 CFAAMO Cc1cccc(N2CCC([NH2+]Cc3ccn[nH]3)CC2)c1C ZINC000534589538 328317320 /nfs/dbraw/zinc/31/73/20/328317320.db2.gz VSUAPBIRUWTUDM-UHFFFAOYSA-N 1 1 284.407 2.785 50 0 CFAAMO Clc1ccccc1-c1cc(C[NH2+][C@@H]2CCOC2)no1 ZINC000534589611 328317657 /nfs/dbraw/zinc/31/76/57/328317657.db2.gz BRIZCZWJXPBYPI-SNVBAGLBSA-N 1 1 278.739 2.874 50 0 CFAAMO Cc1cccn2c(C[N@H+]3CCC[C@H]3Cn3ccnc3)cnc12 ZINC000188411122 324014889 /nfs/dbraw/zinc/01/48/89/324014889.db2.gz NJDBWIIRYVYXOI-HNNXBMFYSA-N 1 1 295.390 2.504 50 0 CFAAMO C[C@@H](C[N@H+]1CCC[C@@H](CC(N)=O)C1)c1ccc(F)cc1 ZINC000195573022 324109151 /nfs/dbraw/zinc/10/91/51/324109151.db2.gz JBNMCQKSYZBRLO-STQMWFEESA-N 1 1 278.371 2.517 50 0 CFAAMO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc3c[nH]nc3c2)nn1 ZINC000577838587 324785647 /nfs/dbraw/zinc/78/56/47/324785647.db2.gz LGZRWNRAWKBSOV-UHFFFAOYSA-N 1 1 298.394 2.760 50 0 CFAAMO COc1ccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000058203393 327010437 /nfs/dbraw/zinc/01/04/37/327010437.db2.gz IBZVLBTZAKOFKK-CYBMUJFWSA-N 1 1 291.395 2.547 50 0 CFAAMO C[C@H](CC(F)(F)F)[N@@H+]1CCOc2ccc(CO)cc2C1 ZINC000828827028 782111306 /nfs/dbraw/zinc/11/13/06/782111306.db2.gz OARJIKNJUBEAOD-SNVBAGLBSA-N 1 1 289.297 2.714 50 0 CFAAMO C[C@H](CC(F)(F)F)[N@H+]1CCOc2ccc(CO)cc2C1 ZINC000828827028 782111308 /nfs/dbraw/zinc/11/13/08/782111308.db2.gz OARJIKNJUBEAOD-SNVBAGLBSA-N 1 1 289.297 2.714 50 0 CFAAMO Cc1ccsc1C[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000097657063 534469533 /nfs/dbraw/zinc/46/95/33/534469533.db2.gz XMPWUINSXWWHMZ-LBPRGKRZSA-N 1 1 261.394 2.910 50 0 CFAAMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335190435 520528801 /nfs/dbraw/zinc/52/88/01/520528801.db2.gz DSCQDBSJQINNRY-JTQLQIEISA-N 1 1 257.761 2.916 50 0 CFAAMO CCc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)sc1C ZINC000083817792 522441982 /nfs/dbraw/zinc/44/19/82/522441982.db2.gz DANSFLODBXBXOK-PWSUYJOCSA-N 1 1 252.383 2.550 50 0 CFAAMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1=CCCCC1 ZINC000245305026 524561519 /nfs/dbraw/zinc/56/15/19/524561519.db2.gz HQINMAFRBSYHGB-DZGCQCFKSA-N 1 1 264.413 2.676 50 0 CFAAMO Cc1cccc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)[nH+]1 ZINC000274581014 524564962 /nfs/dbraw/zinc/56/49/62/524564962.db2.gz HOWORNQVRLHNIS-JSGCOSHPSA-N 1 1 256.353 2.674 50 0 CFAAMO CC(C)(C)n1cc(C[N@@H+](CCO)C2CCCCC2)cn1 ZINC000155143078 526919742 /nfs/dbraw/zinc/91/97/42/526919742.db2.gz MOJXCMHROKEAKP-UHFFFAOYSA-N 1 1 279.428 2.765 50 0 CFAAMO CC(=O)Nc1ccccc1CN1CCC[N@H+](C(C)C)CC1 ZINC000096489404 527093149 /nfs/dbraw/zinc/09/31/49/527093149.db2.gz FFZLYJQBGZKPMQ-UHFFFAOYSA-N 1 1 289.423 2.561 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCN(C)Cc1cncn1C1CC1 ZINC000252494841 545529654 /nfs/dbraw/zinc/52/96/54/545529654.db2.gz OGJGMRBZADGORH-AWEZNQCLSA-N 1 1 276.428 2.524 50 0 CFAAMO OCCCCCC[NH+]1CC(Oc2cccc(Cl)c2)C1 ZINC000670449490 545586977 /nfs/dbraw/zinc/58/69/77/545586977.db2.gz TWWYMIYMUIVDAC-UHFFFAOYSA-N 1 1 283.799 2.956 50 0 CFAAMO c1cc2c(cccc2C[N@H+]2CC[C@@]3(CCOC3)C2)[nH]1 ZINC000093820782 574366826 /nfs/dbraw/zinc/36/68/26/574366826.db2.gz MRYQITRDQNDHSY-MRXNPFEDSA-N 1 1 256.349 2.780 50 0 CFAAMO CCn1ccc(C[N@H+](CC)CCc2nc3ccccc3[nH]2)n1 ZINC000952974052 615060634 /nfs/dbraw/zinc/06/06/34/615060634.db2.gz CIUNHBWSPMJTMN-UHFFFAOYSA-N 1 1 297.406 2.844 50 0 CFAAMO CCn1ccc(C[N@@H+](CC)CCc2nc3ccccc3[nH]2)n1 ZINC000952974052 615060636 /nfs/dbraw/zinc/06/06/36/615060636.db2.gz CIUNHBWSPMJTMN-UHFFFAOYSA-N 1 1 297.406 2.844 50 0 CFAAMO COC[C@H](c1ccccn1)[N@H+](C)Cc1cccc(O)c1 ZINC000952970160 616762872 /nfs/dbraw/zinc/76/28/72/616762872.db2.gz QSDUHKFZSKWWKA-MRXNPFEDSA-N 1 1 272.348 2.607 50 0 CFAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(O)c1 ZINC000952970160 616762875 /nfs/dbraw/zinc/76/28/75/616762875.db2.gz QSDUHKFZSKWWKA-MRXNPFEDSA-N 1 1 272.348 2.607 50 0 CFAAMO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000023281669 618359105 /nfs/dbraw/zinc/35/91/05/618359105.db2.gz HOQCKIUZQZMDSN-UONOGXRCSA-N 1 1 252.402 2.566 50 0 CFAAMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@H]([C@@H](O)c2ccccc2)C1 ZINC000008612850 620383632 /nfs/dbraw/zinc/38/36/32/620383632.db2.gz BGKCTMYJKSVGSD-FHWLQOOXSA-N 1 1 297.398 2.560 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CCCO1 ZINC000180028166 624990579 /nfs/dbraw/zinc/99/05/79/624990579.db2.gz JGBPYTACMOKCAA-LBPRGKRZSA-N 1 1 291.420 2.759 50 0 CFAAMO C(C1CCCCC1)[C@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000020774058 651300833 /nfs/dbraw/zinc/30/08/33/651300833.db2.gz ZGHJKJCNZUQEOW-INIZCTEOSA-N 1 1 267.413 2.837 50 0 CFAAMO c1cnn(CCC[N@H+]2CCO[C@H](CC3CCCCC3)C2)c1 ZINC000020999902 651302310 /nfs/dbraw/zinc/30/23/10/651302310.db2.gz MTYYUSFKNCGMCR-QGZVFWFLSA-N 1 1 291.439 2.944 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000821459951 781883131 /nfs/dbraw/zinc/88/31/31/781883131.db2.gz PSVHNXPBMHCASE-LBPRGKRZSA-N 1 1 294.420 2.583 50 0 CFAAMO CC(C)Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000821459951 781883139 /nfs/dbraw/zinc/88/31/39/781883139.db2.gz PSVHNXPBMHCASE-LBPRGKRZSA-N 1 1 294.420 2.583 50 0 CFAAMO CC/C=C\CCC[N@H+]1CCC[C@](C)(C(=O)NC)C1 ZINC000822293546 781896719 /nfs/dbraw/zinc/89/67/19/781896719.db2.gz ZINHGYAQGHEFPG-YVACAVLKSA-N 1 1 252.402 2.581 50 0 CFAAMO CC(C)c1nc(C[NH2+][C@@H]2CCc3ccccc3C2)no1 ZINC000822285089 781896849 /nfs/dbraw/zinc/89/68/49/781896849.db2.gz RJIWODAPDQXVML-CQSZACIVSA-N 1 1 271.364 2.840 50 0 CFAAMO C[C@H](C[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000095982636 185053925 /nfs/dbraw/zinc/05/39/25/185053925.db2.gz ALYJNZOALBKICX-MFKMUULPSA-N 1 1 284.197 2.619 50 0 CFAAMO COCc1ccc(CNc2cccnc2-n2cc[nH+]c2C)o1 ZINC000095994151 185059523 /nfs/dbraw/zinc/05/95/23/185059523.db2.gz LNRGLZVFRIOADD-UHFFFAOYSA-N 1 1 298.346 2.927 50 0 CFAAMO CCOc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1OC ZINC000095995866 185060264 /nfs/dbraw/zinc/06/02/64/185060264.db2.gz ZJBPFYKKXIITMA-KRWDZBQOSA-N 1 1 293.407 2.951 50 0 CFAAMO CCOc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1OC ZINC000095995866 185060265 /nfs/dbraw/zinc/06/02/65/185060265.db2.gz ZJBPFYKKXIITMA-KRWDZBQOSA-N 1 1 293.407 2.951 50 0 CFAAMO CC(C)c1[nH+]ccn1CC[S@@](=O)c1ccccc1 ZINC000096001652 185062447 /nfs/dbraw/zinc/06/24/47/185062447.db2.gz QBMVFEGBSUKPGL-SFHVURJKSA-N 1 1 262.378 2.814 50 0 CFAAMO COC(=O)/C(C)=C\C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000096035344 185069799 /nfs/dbraw/zinc/06/97/99/185069799.db2.gz UODPEXMWVDODGJ-KUGGDMIFSA-N 1 1 259.349 2.725 50 0 CFAAMO CCCn1nc(C2CC2)nc1C[C@H](C)n1cc[nH+]c1C ZINC000096141461 185106680 /nfs/dbraw/zinc/10/66/80/185106680.db2.gz GJGSKUKSIJNYMD-NSHDSACASA-N 1 1 273.384 2.874 50 0 CFAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000096990493 185148450 /nfs/dbraw/zinc/14/84/50/185148450.db2.gz YDQPJYDFXUNRAD-HNNXBMFYSA-N 1 1 281.371 2.576 50 0 CFAAMO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1cccc(F)c1F ZINC000097033685 185156376 /nfs/dbraw/zinc/15/63/76/185156376.db2.gz XRFLMMPWYJPQTP-LLVKDONJSA-N 1 1 282.334 2.628 50 0 CFAAMO CCC[C@H](C[N@H+]1CCCN(C(N)=O)CC1)c1ccccc1 ZINC000097033900 185156487 /nfs/dbraw/zinc/15/64/87/185156487.db2.gz SNMUUNNTMFQFKR-MRXNPFEDSA-N 1 1 289.423 2.657 50 0 CFAAMO CC1CCC(N(C)C(=O)C[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000126113884 187218291 /nfs/dbraw/zinc/21/82/91/187218291.db2.gz BEPYFMLROYRIDN-GPANFISMSA-N 1 1 296.455 2.524 50 0 CFAAMO CC1CCC(N(C)C(=O)C[N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000126113884 187218293 /nfs/dbraw/zinc/21/82/93/187218293.db2.gz BEPYFMLROYRIDN-GPANFISMSA-N 1 1 296.455 2.524 50 0 CFAAMO O=C(CCCN1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000019361804 346241851 /nfs/dbraw/zinc/24/18/51/346241851.db2.gz PQLYZHNINGGVMB-INIZCTEOSA-N 1 1 290.382 2.569 50 0 CFAAMO CC[N@@H+](C[C@H](O)c1cc(C)ccc1C)C[C@H]1CCOC1 ZINC000078947568 347281231 /nfs/dbraw/zinc/28/12/31/347281231.db2.gz PNELGSQDNINNPI-WBVHZDCISA-N 1 1 277.408 2.695 50 0 CFAAMO COc1ccccc1[C@H]1CC[N@@H+](CCCc2cn[nH]c2)C1 ZINC000078950176 347281263 /nfs/dbraw/zinc/28/12/63/347281263.db2.gz XTXSMLLKGFXORG-HNNXBMFYSA-N 1 1 285.391 2.840 50 0 CFAAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)Cc1cnc(C)cn1 ZINC000078947986 347281431 /nfs/dbraw/zinc/28/14/31/347281431.db2.gz VNIICUPKSUMGCH-STQMWFEESA-N 1 1 251.399 2.501 50 0 CFAAMO C[C@@H]1CCC[C@H](NC(=O)C[NH2+]Cc2ccccc2F)[C@H]1C ZINC000102253903 185773757 /nfs/dbraw/zinc/77/37/57/185773757.db2.gz NOHHYXJOLYVXCJ-WWGRRREGSA-N 1 1 292.398 2.856 50 0 CFAAMO C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)c1ccncc1 ZINC000097370695 347708787 /nfs/dbraw/zinc/70/87/87/347708787.db2.gz JGLAYBTWXVMADY-LLVKDONJSA-N 1 1 288.420 2.988 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1nc2c(s1)CCC2 ZINC000097375322 347709322 /nfs/dbraw/zinc/70/93/22/347709322.db2.gz LXKBBPYAWAKUHD-UHFFFAOYSA-N 1 1 273.405 2.701 50 0 CFAAMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(C)C ZINC000142788636 347935344 /nfs/dbraw/zinc/93/53/44/347935344.db2.gz GTOYZBDEDDTTGA-LSDHHAIUSA-N 1 1 261.365 2.564 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)Cc2ccccc2)n1CC1CC1 ZINC000169786904 348052679 /nfs/dbraw/zinc/05/26/79/348052679.db2.gz WVJDTSMYLDPXHU-UHFFFAOYSA-N 1 1 297.402 2.503 50 0 CFAAMO Nc1cccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000170616830 348057646 /nfs/dbraw/zinc/05/76/46/348057646.db2.gz GNUWVTWPEOSLSL-KRWDZBQOSA-N 1 1 297.402 2.845 50 0 CFAAMO C[Si](C)(C)C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000195566701 348146937 /nfs/dbraw/zinc/14/69/37/348146937.db2.gz ZPAAPNWFTLSUQE-GFCCVEGCSA-N 1 1 297.496 2.899 50 0 CFAAMO C[Si](C)(C)C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000195566701 348146938 /nfs/dbraw/zinc/14/69/38/348146938.db2.gz ZPAAPNWFTLSUQE-GFCCVEGCSA-N 1 1 297.496 2.899 50 0 CFAAMO C[C@@H](C[N@@H+]1CC[S@@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000195573070 348147400 /nfs/dbraw/zinc/14/74/00/348147400.db2.gz FCZPJWVBKKNFNG-HXPMCKFVSA-N 1 1 283.412 2.772 50 0 CFAAMO C[C@@H](C[N@H+]1CC[S@@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000195573070 348147401 /nfs/dbraw/zinc/14/74/01/348147401.db2.gz FCZPJWVBKKNFNG-HXPMCKFVSA-N 1 1 283.412 2.772 50 0 CFAAMO Cc1ccc(C[N@H+]2CC[C@](C)(CO)C2)cc1Cl ZINC000225585391 348178415 /nfs/dbraw/zinc/17/84/15/348178415.db2.gz PXHPMBAXAJQNMK-AWEZNQCLSA-N 1 1 253.773 2.853 50 0 CFAAMO C[N@@H+](Cc1c(Cl)cncc1Cl)C[C@@H]1CCOC1 ZINC000584890343 348727836 /nfs/dbraw/zinc/72/78/36/348727836.db2.gz OOJBVJXNQXULSY-VIFPVBQESA-N 1 1 275.179 2.857 50 0 CFAAMO C[N@H+](Cc1c(Cl)cncc1Cl)C[C@@H]1CCOC1 ZINC000584890343 348727840 /nfs/dbraw/zinc/72/78/40/348727840.db2.gz OOJBVJXNQXULSY-VIFPVBQESA-N 1 1 275.179 2.857 50 0 CFAAMO Cc1ccc(O)cc1C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000584897079 348731275 /nfs/dbraw/zinc/73/12/75/348731275.db2.gz JZJWMMLPZKRNBZ-UHFFFAOYSA-N 1 1 290.407 2.647 50 0 CFAAMO Cc1ccc2nc(C[NH2+]C3CSCCSC3)[nH]c2c1 ZINC000584902320 348732816 /nfs/dbraw/zinc/73/28/16/348732816.db2.gz DCUBCBIGLNEESX-UHFFFAOYSA-N 1 1 293.461 2.810 50 0 CFAAMO Cc1c[nH+]c(N)nc1NCc1cccc(OC(F)(F)F)c1 ZINC000091416439 180149393 /nfs/dbraw/zinc/14/93/93/180149393.db2.gz QYUXRSBJYLPJPO-UHFFFAOYSA-N 1 1 298.268 2.878 50 0 CFAAMO C[N@H+]1C[C@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](C2CC2)C1 ZINC000091526133 180178813 /nfs/dbraw/zinc/17/88/13/180178813.db2.gz HANWEQFXFGABJS-OCCSQVGLSA-N 1 1 296.773 2.549 50 0 CFAAMO Cc1cccnc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091631200 180210559 /nfs/dbraw/zinc/21/05/59/180210559.db2.gz IUJKOQGSXTWORL-CQSZACIVSA-N 1 1 297.406 2.696 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@@]1(O)C1CCOCC1 ZINC000091665449 180221059 /nfs/dbraw/zinc/22/10/59/180221059.db2.gz GDEJMBBYTDWLMZ-CJNGLKHVSA-N 1 1 295.448 2.748 50 0 CFAAMO C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000091960555 180292318 /nfs/dbraw/zinc/29/23/18/180292318.db2.gz LBUXPBUYIHWUKQ-PBHICJAKSA-N 1 1 297.402 2.901 50 0 CFAAMO O[C@H]1C[C@@H](C2CCCCC2)[N@@H+](CCc2ccncc2)C1 ZINC000106853696 186142698 /nfs/dbraw/zinc/14/26/98/186142698.db2.gz XXBWFZPNZNZKLD-IRXDYDNUSA-N 1 1 274.408 2.640 50 0 CFAAMO COC(=O)[C@@H]1C[C@H](Oc2ccccc2C)C[N@@H+]1CC(C)C ZINC000601014525 350645467 /nfs/dbraw/zinc/64/54/67/350645467.db2.gz NSZSXFKFJALZMC-GJZGRUSLSA-N 1 1 291.391 2.646 50 0 CFAAMO COC(=O)[C@@H]1C[C@H](Oc2ccccc2C)C[N@H+]1CC(C)C ZINC000601014525 350645468 /nfs/dbraw/zinc/64/54/68/350645468.db2.gz NSZSXFKFJALZMC-GJZGRUSLSA-N 1 1 291.391 2.646 50 0 CFAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)C1CCCC1 ZINC000618256844 352740193 /nfs/dbraw/zinc/74/01/93/352740193.db2.gz NFNOSFCCABXHTQ-AWEZNQCLSA-N 1 1 278.421 2.629 50 0 CFAAMO COc1c(F)cccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000216089677 539970138 /nfs/dbraw/zinc/97/01/38/539970138.db2.gz XVAXNPJIJYRNOB-KGLIPLIRSA-N 1 1 267.344 2.570 50 0 CFAAMO O[C@@H]1C[C@@H](C2CCCCC2)[N@@H+](Cc2ccncc2)C1 ZINC000685939492 540020582 /nfs/dbraw/zinc/02/05/82/540020582.db2.gz XJAYRKLRCBTBSG-CVEARBPZSA-N 1 1 260.381 2.597 50 0 CFAAMO C=CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000685940202 540021228 /nfs/dbraw/zinc/02/12/28/540021228.db2.gz XOTLHOLUVAOQIM-SWLSCSKDSA-N 1 1 278.783 2.635 50 0 CFAAMO O[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000685939712 540020864 /nfs/dbraw/zinc/02/08/64/540020864.db2.gz FSRNLNFGTHULGV-JCGIZDLHSA-N 1 1 299.418 2.977 50 0 CFAAMO Cn1cnnc1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000084331856 540198609 /nfs/dbraw/zinc/19/86/09/540198609.db2.gz YLRHEHOVJMCZGW-CQSZACIVSA-N 1 1 262.401 2.750 50 0 CFAAMO Cn1cnnc1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000084331857 540198654 /nfs/dbraw/zinc/19/86/54/540198654.db2.gz YLRHEHOVJMCZGW-AWEZNQCLSA-N 1 1 262.401 2.750 50 0 CFAAMO CCN(C)C(=O)CC[N@@H+](CC)Cc1ccc(F)c(F)c1 ZINC000084760725 540207918 /nfs/dbraw/zinc/20/79/18/540207918.db2.gz QNJSFOOSMPPQGN-UHFFFAOYSA-N 1 1 284.350 2.655 50 0 CFAAMO CCOCCC[N@H+]1CC[C@@H](Nc2ccccn2)[C@H](C)C1 ZINC000084801271 540209891 /nfs/dbraw/zinc/20/98/91/540209891.db2.gz MZIUZDABHUDNKE-HUUCEWRRSA-N 1 1 277.412 2.631 50 0 CFAAMO Cc1noc([C@@H]([NH2+][C@H](C)Cn2cnc(C)c2C)C(C)C)n1 ZINC000091724505 540398507 /nfs/dbraw/zinc/39/85/07/540398507.db2.gz AJYJZSLADURHGA-YGRLFVJLSA-N 1 1 291.399 2.567 50 0 CFAAMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1c(F)cccc1F ZINC000093739052 540723388 /nfs/dbraw/zinc/72/33/88/540723388.db2.gz MNSSCZZZQKMDIF-WDEREUQCSA-N 1 1 255.308 2.558 50 0 CFAAMO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000180175464 189241031 /nfs/dbraw/zinc/24/10/31/189241031.db2.gz RGQZIRNZXVPFQY-ZDUSSCGKSA-N 1 1 273.355 2.857 50 0 CFAAMO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000180175485 189241199 /nfs/dbraw/zinc/24/11/99/189241199.db2.gz RGQZIRNZXVPFQY-CYBMUJFWSA-N 1 1 273.355 2.857 50 0 CFAAMO COC(=O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1Oc1ccccc1 ZINC000261361540 540973399 /nfs/dbraw/zinc/97/33/99/540973399.db2.gz NSPIHLJDVJDQKM-HZPDHXFCSA-N 1 1 291.391 2.872 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)CC[C@@H]1CC1(F)F ZINC000670439324 540994533 /nfs/dbraw/zinc/99/45/33/540994533.db2.gz LNJVLJCHSBLYFU-GFCCVEGCSA-N 1 1 271.355 2.936 50 0 CFAAMO Cc1cccc(Cl)c1OCC[N@H+]1CCC[C@@H](O)CC1 ZINC000670443126 540996967 /nfs/dbraw/zinc/99/69/67/540996967.db2.gz PEKUDOBGJLFQFI-CYBMUJFWSA-N 1 1 283.799 2.874 50 0 CFAAMO Cc1cc(C)n(CCC[N@H+](C)C2CSCCSC2)n1 ZINC000670466117 541006303 /nfs/dbraw/zinc/00/63/03/541006303.db2.gz DYQKGZQFOJFRDU-UHFFFAOYSA-N 1 1 299.509 2.670 50 0 CFAAMO O[C@@]1(c2ccccc2)CC[N@@H+](CCOCc2ccccc2)C1 ZINC000670467780 541007412 /nfs/dbraw/zinc/00/74/12/541007412.db2.gz XHJYATIVWVFIMI-IBGZPJMESA-N 1 1 297.398 2.797 50 0 CFAAMO C[N@H+]1CCC[C@H](CCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000823770643 781937402 /nfs/dbraw/zinc/93/74/02/781937402.db2.gz UFNWZAVVSBWMAQ-CYBMUJFWSA-N 1 1 270.380 2.746 50 0 CFAAMO CN(C)C1(CNc2ccc3ccccc3n2)CC[NH+](C)CC1 ZINC000823759423 781938049 /nfs/dbraw/zinc/93/80/49/781938049.db2.gz ITAKYEIICCNSTR-UHFFFAOYSA-N 1 1 298.434 2.673 50 0 CFAAMO OC[C@H]1C=C[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000183585235 189363176 /nfs/dbraw/zinc/36/31/76/189363176.db2.gz RTTLJPWWXFCXAC-YXJHDRRASA-N 1 1 280.371 2.698 50 0 CFAAMO CC[N@H+]1CCCC[C@H]1CNc1nnc(C(C)C)s1 ZINC000301748207 201174174 /nfs/dbraw/zinc/17/41/74/201174174.db2.gz ZXWNBIQJKYLIAG-NSHDSACASA-N 1 1 268.430 2.948 50 0 CFAAMO CCOCCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000077175708 541341666 /nfs/dbraw/zinc/34/16/66/541341666.db2.gz LJTHGNPEIXPQLH-UHFFFAOYSA-N 1 1 268.445 2.611 50 0 CFAAMO COC[C@@H]1CC[N@@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000215789710 189697764 /nfs/dbraw/zinc/69/77/64/189697764.db2.gz OQGHDKBGXZBTQN-QGZVFWFLSA-N 1 1 299.418 2.957 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2c(s1)CCC2 ZINC000040534786 284061572 /nfs/dbraw/zinc/06/15/72/284061572.db2.gz AEDDVQPWBFHVIR-CHWSQXEVSA-N 1 1 290.432 2.593 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000229405556 189798321 /nfs/dbraw/zinc/79/83/21/189798321.db2.gz QOYMBBLLOHUKCU-XJKSGUPXSA-N 1 1 272.392 2.738 50 0 CFAAMO COc1cccc(C(=O)OCC[N@@H+](C)Cc2ccccc2)c1 ZINC000000174333 371550203 /nfs/dbraw/zinc/55/02/03/371550203.db2.gz AOLAVHDFZONPRH-UHFFFAOYSA-N 1 1 299.370 2.984 50 0 CFAAMO CCCN1CCC([N@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000000214838 371560469 /nfs/dbraw/zinc/56/04/69/371560469.db2.gz XCWDJFZIQMPNKJ-KRWDZBQOSA-N 1 1 276.424 2.526 50 0 CFAAMO CCCN1CCC([N@@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000000214838 371560475 /nfs/dbraw/zinc/56/04/75/371560475.db2.gz XCWDJFZIQMPNKJ-KRWDZBQOSA-N 1 1 276.424 2.526 50 0 CFAAMO COc1ccccc1/C=C/C[N@@H+](C)C1CCN(C)CC1 ZINC000000215875 371561178 /nfs/dbraw/zinc/56/11/78/371561178.db2.gz SQIOZJSIUCVGBS-SOFGYWHQSA-N 1 1 274.408 2.734 50 0 CFAAMO COc1ccccc1/C=C/CN(C)C1CC[NH+](C)CC1 ZINC000000215875 371561186 /nfs/dbraw/zinc/56/11/86/371561186.db2.gz SQIOZJSIUCVGBS-SOFGYWHQSA-N 1 1 274.408 2.734 50 0 CFAAMO Nc1cccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000000235055 371562399 /nfs/dbraw/zinc/56/23/99/371562399.db2.gz QMUPZBBJTKGJIF-ZBFHGGJFSA-N 1 1 288.391 2.690 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000000237968 371564450 /nfs/dbraw/zinc/56/44/50/371564450.db2.gz QQUUUVJOLQHIAZ-GFCCVEGCSA-N 1 1 283.318 2.740 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000000237968 371564456 /nfs/dbraw/zinc/56/44/56/371564456.db2.gz QQUUUVJOLQHIAZ-GFCCVEGCSA-N 1 1 283.318 2.740 50 0 CFAAMO CCC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000000277432 371577192 /nfs/dbraw/zinc/57/71/92/371577192.db2.gz MTCJFNPIGYILFW-UHFFFAOYSA-N 1 1 272.186 2.653 50 0 CFAAMO C[C@@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000000316420 371585841 /nfs/dbraw/zinc/58/58/41/371585841.db2.gz BMXPXGQKTHPCSB-OAHLLOKOSA-N 1 1 273.424 2.778 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000476851 371626170 /nfs/dbraw/zinc/62/61/70/371626170.db2.gz NKQNZVJSHLAGNU-UHFFFAOYSA-N 1 1 268.360 2.618 50 0 CFAAMO O=C(c1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000002515315 371731670 /nfs/dbraw/zinc/73/16/70/371731670.db2.gz AYSXEQHMFNQBOT-UHFFFAOYSA-N 1 1 261.390 2.828 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1OC ZINC000002760509 371751349 /nfs/dbraw/zinc/75/13/49/371751349.db2.gz IHBVGDQTDXOJDM-UHFFFAOYSA-N 1 1 294.395 2.764 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000002764907 371751927 /nfs/dbraw/zinc/75/19/27/371751927.db2.gz CHFNDTLLXQWWQQ-UHFFFAOYSA-N 1 1 252.333 2.886 50 0 CFAAMO COc1ccccc1OCCOCC[N@H+]1CCC[C@@H](C)C1 ZINC000002822037 371756728 /nfs/dbraw/zinc/75/67/28/371756728.db2.gz NNTARELTETYMDF-OAHLLOKOSA-N 1 1 293.407 2.823 50 0 CFAAMO COc1ccccc1OCCOCC[N@H+]1CCC[C@H](C)C1 ZINC000002822036 371757754 /nfs/dbraw/zinc/75/77/54/371757754.db2.gz NNTARELTETYMDF-HNNXBMFYSA-N 1 1 293.407 2.823 50 0 CFAAMO CCCOc1ccc(C[NH2+]CCCN(C)C)cc1OC ZINC000002640176 371742776 /nfs/dbraw/zinc/74/27/76/371742776.db2.gz DOFQXGKPXVYMKO-UHFFFAOYSA-N 1 1 280.412 2.525 50 0 CFAAMO Cc1cccc(C)c1-n1nnnc1[C@H](CC(C)C)[NH+](C)C ZINC000004016418 371827381 /nfs/dbraw/zinc/82/73/81/371827381.db2.gz ZKZFVZHSVUUKKF-AWEZNQCLSA-N 1 1 287.411 2.928 50 0 CFAAMO COc1ccc(CC[N@@H+]2CCC(=O)[C@@H](C)[C@@H]2C)cc1OC ZINC000004343108 371851249 /nfs/dbraw/zinc/85/12/49/371851249.db2.gz PTKVNRIUQDVVDK-STQMWFEESA-N 1 1 291.391 2.546 50 0 CFAAMO COc1ccc(CC[N@H+]2CCC(=O)[C@@H](C)[C@@H]2C)cc1OC ZINC000004343108 371851259 /nfs/dbraw/zinc/85/12/59/371851259.db2.gz PTKVNRIUQDVVDK-STQMWFEESA-N 1 1 291.391 2.546 50 0 CFAAMO CC(C)COc1ccc(C[NH+](C)C)cc1CN(C)C ZINC000004507107 371860324 /nfs/dbraw/zinc/86/03/24/371860324.db2.gz PRVFVQYIYXLGCO-UHFFFAOYSA-N 1 1 264.413 2.845 50 0 CFAAMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000004167139 371838907 /nfs/dbraw/zinc/83/89/07/371838907.db2.gz HOTLIFUDQTYBKZ-JKSUJKDBSA-N 1 1 277.408 2.918 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000012317794 371950917 /nfs/dbraw/zinc/95/09/17/371950917.db2.gz TXGNNQBTIYSKDR-AWEZNQCLSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000012317794 371950921 /nfs/dbraw/zinc/95/09/21/371950921.db2.gz TXGNNQBTIYSKDR-AWEZNQCLSA-N 1 1 274.343 2.625 50 0 CFAAMO C/C(=C\c1ccco1)C[N@@H+]1CCC(=O)N(CC2CC2)CC1 ZINC000012338104 371952789 /nfs/dbraw/zinc/95/27/89/371952789.db2.gz JPQFVLPHRVDKMP-SDNWHVSQSA-N 1 1 288.391 2.627 50 0 CFAAMO c1cnn(CCC[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000014969049 372076807 /nfs/dbraw/zinc/07/68/07/372076807.db2.gz YMYPIBCTEQSJTP-GOSISDBHSA-N 1 1 299.418 2.607 50 0 CFAAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccccc1 ZINC000016352034 372104996 /nfs/dbraw/zinc/10/49/96/372104996.db2.gz ORKGYARBWMBFNX-OAHLLOKOSA-N 1 1 285.343 2.581 50 0 CFAAMO Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019210592 372151686 /nfs/dbraw/zinc/15/16/86/372151686.db2.gz BJXUGKXVPDLLME-DZGCQCFKSA-N 1 1 286.375 2.501 50 0 CFAAMO Fc1cccc(Cl)c1CN[C@@H]1C[NH+]2CCC1CC2 ZINC000019362499 372157022 /nfs/dbraw/zinc/15/70/22/372157022.db2.gz FHOOZZXBUVNTSV-CQSZACIVSA-N 1 1 268.763 2.663 50 0 CFAAMO c1ccc2c(c1)cccc2OCC[NH+]1CCOCC1 ZINC000019639083 372178748 /nfs/dbraw/zinc/17/87/48/372178748.db2.gz RGGDCOHLQXIUIA-UHFFFAOYSA-N 1 1 257.333 2.551 50 0 CFAAMO CCOc1ccccc1CNC[C@H]1CCC[N@@H+]1CC ZINC000019959539 372216043 /nfs/dbraw/zinc/21/60/43/372216043.db2.gz GCAZXKHJDQJBCM-OAHLLOKOSA-N 1 1 262.397 2.659 50 0 CFAAMO CCOc1ccccc1CNC[C@H]1CCC[N@H+]1CC ZINC000019959539 372216049 /nfs/dbraw/zinc/21/60/49/372216049.db2.gz GCAZXKHJDQJBCM-OAHLLOKOSA-N 1 1 262.397 2.659 50 0 CFAAMO CC(=O)Nc1ccc(C[NH2+]Cc2csc(C)n2)cc1 ZINC000025313144 372295277 /nfs/dbraw/zinc/29/52/77/372295277.db2.gz WQUFEZAKVQLNKS-UHFFFAOYSA-N 1 1 275.377 2.700 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2F)on1 ZINC000022911103 372249067 /nfs/dbraw/zinc/24/90/67/372249067.db2.gz WZKPSMDJWZEJAW-WDEREUQCSA-N 1 1 291.326 2.800 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000023280561 372255785 /nfs/dbraw/zinc/25/57/85/372255785.db2.gz BVLCSNHCVKRLAX-LLVKDONJSA-N 1 1 283.318 2.740 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000023280561 372255792 /nfs/dbraw/zinc/25/57/92/372255792.db2.gz BVLCSNHCVKRLAX-LLVKDONJSA-N 1 1 283.318 2.740 50 0 CFAAMO CCCCOc1ccc(C[N@H+](C)CCN(C)C)cc1 ZINC000023281367 372256243 /nfs/dbraw/zinc/25/62/43/372256243.db2.gz ZCCQIQZMCUJWMU-UHFFFAOYSA-N 1 1 264.413 2.859 50 0 CFAAMO CCCCOc1ccc(C[N@@H+](C)CCN(C)C)cc1 ZINC000023281367 372256248 /nfs/dbraw/zinc/25/62/48/372256248.db2.gz ZCCQIQZMCUJWMU-UHFFFAOYSA-N 1 1 264.413 2.859 50 0 CFAAMO COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000023282497 372258568 /nfs/dbraw/zinc/25/85/68/372258568.db2.gz OZBWKDNYLWENKI-GOEBONIOSA-N 1 1 277.408 2.721 50 0 CFAAMO CCOc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000026225847 372316595 /nfs/dbraw/zinc/31/65/95/372316595.db2.gz FDJVOVPFULLGMX-SUMWQHHRSA-N 1 1 298.386 2.963 50 0 CFAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000031337943 372409070 /nfs/dbraw/zinc/40/90/70/372409070.db2.gz ZQACJRYDDSFNDR-UHFFFAOYSA-N 1 1 298.361 2.614 50 0 CFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000031337943 372409074 /nfs/dbraw/zinc/40/90/74/372409074.db2.gz ZQACJRYDDSFNDR-UHFFFAOYSA-N 1 1 298.361 2.614 50 0 CFAAMO C[C@H](CNC(=O)c1ccoc1)[N@@H+]1CCc2sccc2C1 ZINC000032429080 372440648 /nfs/dbraw/zinc/44/06/48/372440648.db2.gz XBOFHFHNINTMSZ-LLVKDONJSA-N 1 1 290.388 2.518 50 0 CFAAMO C[C@H](CNC(=O)c1ccoc1)[N@H+]1CCc2sccc2C1 ZINC000032429080 372440656 /nfs/dbraw/zinc/44/06/56/372440656.db2.gz XBOFHFHNINTMSZ-LLVKDONJSA-N 1 1 290.388 2.518 50 0 CFAAMO Cc1nccnc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000032513716 372442037 /nfs/dbraw/zinc/44/20/37/372442037.db2.gz ZPYAUBXLCOFVBN-MRXNPFEDSA-N 1 1 282.391 2.719 50 0 CFAAMO C[C@@H](CNC(=S)NCc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000036847509 372601838 /nfs/dbraw/zinc/60/18/38/372601838.db2.gz TUUOODZZSKLVRS-OLZOCXBDSA-N 1 1 295.452 2.507 50 0 CFAAMO CC(C)NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000035132970 372545269 /nfs/dbraw/zinc/54/52/69/372545269.db2.gz JCAKWLQYPIAYOL-SNVBAGLBSA-N 1 1 254.761 2.515 50 0 CFAAMO COC(=O)CCC[N@@H+](C)Cc1ccccc1Cl ZINC000042437552 372923859 /nfs/dbraw/zinc/92/38/59/372923859.db2.gz YESVJSNAYPLQDM-UHFFFAOYSA-N 1 1 255.745 2.725 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccccc2)C1 ZINC000043131011 372977788 /nfs/dbraw/zinc/97/77/88/372977788.db2.gz LEVYGCOGUDBMAU-CQSZACIVSA-N 1 1 275.396 2.930 50 0 CFAAMO Cc1ccsc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046877299 373064311 /nfs/dbraw/zinc/06/43/11/373064311.db2.gz BEXBACNEQJDWQP-NSHDSACASA-N 1 1 266.410 2.518 50 0 CFAAMO c1cc2ncnc(N[C@H]3CC[N@H+]4CCCC[C@H]34)c2s1 ZINC000047975387 373134578 /nfs/dbraw/zinc/13/45/78/373134578.db2.gz YZXNKGLPNWHMAO-CMPLNLGQSA-N 1 1 274.393 2.730 50 0 CFAAMO C[N@@H+](CCCc1ccccc1)CC(=O)Nc1nccs1 ZINC000048364170 373170985 /nfs/dbraw/zinc/17/09/85/373170985.db2.gz RFSDIGQOCVYGAT-UHFFFAOYSA-N 1 1 289.404 2.646 50 0 CFAAMO Cc1nnc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)o1 ZINC000052006008 373428333 /nfs/dbraw/zinc/42/83/33/373428333.db2.gz VLVTYPWPCPMPFS-UHFFFAOYSA-N 1 1 289.354 2.972 50 0 CFAAMO Cc1nccn1-c1ccc(CNc2cc(C)[nH+]c(C)n2)cn1 ZINC000052510483 373444289 /nfs/dbraw/zinc/44/42/89/373444289.db2.gz MKDSULRMELMDMB-UHFFFAOYSA-N 1 1 294.362 2.595 50 0 CFAAMO COCC[N@@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000053400603 373477231 /nfs/dbraw/zinc/47/72/31/373477231.db2.gz ODFODRKZUHGDKM-UHFFFAOYSA-N 1 1 273.380 2.567 50 0 CFAAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)NCC1CC1 ZINC000052077237 373434380 /nfs/dbraw/zinc/43/43/80/373434380.db2.gz RXGSIHDUZLFWEZ-UHFFFAOYSA-N 1 1 276.380 2.550 50 0 CFAAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)NCC1CC1 ZINC000052077237 373434386 /nfs/dbraw/zinc/43/43/86/373434386.db2.gz RXGSIHDUZLFWEZ-UHFFFAOYSA-N 1 1 276.380 2.550 50 0 CFAAMO CCn1c(C[NH2+]Cc2ccc(OC)nc2)nc2ccccc21 ZINC000054041339 373492044 /nfs/dbraw/zinc/49/20/44/373492044.db2.gz CLWHWTSDQQWZTB-UHFFFAOYSA-N 1 1 296.374 2.750 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccn2)C1 ZINC000054226567 373507108 /nfs/dbraw/zinc/50/71/08/373507108.db2.gz SKEQQMGQGOCORZ-ZBFHGGJFSA-N 1 1 295.386 2.647 50 0 CFAAMO C[NH+](C)C(C)(C)CNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000053945740 373490170 /nfs/dbraw/zinc/49/01/70/373490170.db2.gz DBGWGJYYLZZNRU-UHFFFAOYSA-N 1 1 290.386 2.646 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000057122052 373579912 /nfs/dbraw/zinc/57/99/12/373579912.db2.gz ZOCFDPXVIYLYCH-UHFFFAOYSA-N 1 1 291.782 2.599 50 0 CFAAMO CCC(=O)Nc1ccc(-c2cnc(C[NH+](C)C)o2)cc1 ZINC000057355774 373589149 /nfs/dbraw/zinc/58/91/49/373589149.db2.gz XVPRMEDHDRANKW-UHFFFAOYSA-N 1 1 273.336 2.752 50 0 CFAAMO CC[C@@H](C)[N@H+](Cc1cc(C)nn1C)Cc1ccncc1 ZINC000055090528 373540054 /nfs/dbraw/zinc/54/00/54/373540054.db2.gz GZKCXGXYCQDERK-CQSZACIVSA-N 1 1 272.396 2.924 50 0 CFAAMO CC[C@@H](C)[N@@H+](Cc1cc(C)nn1C)Cc1ccncc1 ZINC000055090528 373540062 /nfs/dbraw/zinc/54/00/62/373540062.db2.gz GZKCXGXYCQDERK-CQSZACIVSA-N 1 1 272.396 2.924 50 0 CFAAMO COCC[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCOC1 ZINC000055196856 373544755 /nfs/dbraw/zinc/54/47/55/373544755.db2.gz SBAOKCFKUQVXAX-ZGRWHYIRSA-N 1 1 275.392 2.685 50 0 CFAAMO CCc1ccc(C[N@@H+](Cc2ccccn2)[C@@H](CC)CO)nc1 ZINC000055283910 373547078 /nfs/dbraw/zinc/54/70/78/373547078.db2.gz ISLFXDADBFEGOX-SFHVURJKSA-N 1 1 299.418 2.812 50 0 CFAAMO CCc1ccc(C[N@H+](Cc2ccccn2)[C@@H](CC)CO)nc1 ZINC000055283910 373547082 /nfs/dbraw/zinc/54/70/82/373547082.db2.gz ISLFXDADBFEGOX-SFHVURJKSA-N 1 1 299.418 2.812 50 0 CFAAMO CCOc1cccc(C[N@H+](CC=C(C)C)CCO)c1 ZINC000055344793 373550190 /nfs/dbraw/zinc/55/01/90/373550190.db2.gz AXHMJJGCLXNHRB-UHFFFAOYSA-N 1 1 263.381 2.846 50 0 CFAAMO c1cn(CCC[N@H+](Cc2ccoc2)Cc2cccnc2)cn1 ZINC000055393424 373551991 /nfs/dbraw/zinc/55/19/91/373551991.db2.gz GFTAVVUIEDFBNX-UHFFFAOYSA-N 1 1 296.374 2.964 50 0 CFAAMO c1cn(CCC[N@@H+](Cc2ccoc2)Cc2cccnc2)cn1 ZINC000055393424 373551996 /nfs/dbraw/zinc/55/19/96/373551996.db2.gz GFTAVVUIEDFBNX-UHFFFAOYSA-N 1 1 296.374 2.964 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000058174939 373629370 /nfs/dbraw/zinc/62/93/70/373629370.db2.gz ZGFCNPQARNLFEX-GFCCVEGCSA-N 1 1 296.361 2.815 50 0 CFAAMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058434638 373658987 /nfs/dbraw/zinc/65/89/87/373658987.db2.gz BODCOICDKBLBEK-INIZCTEOSA-N 1 1 284.359 2.560 50 0 CFAAMO C[NH+]1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 ZINC000057547352 373598120 /nfs/dbraw/zinc/59/81/20/373598120.db2.gz ZXIYUYBMRSBXFO-SAPNQHFASA-N 1 1 296.370 2.594 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C)cc1 ZINC000057828843 373614060 /nfs/dbraw/zinc/61/40/60/373614060.db2.gz SROIJSDDJLMTGV-INIZCTEOSA-N 1 1 274.408 2.876 50 0 CFAAMO Clc1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000060363299 373692464 /nfs/dbraw/zinc/69/24/64/373692464.db2.gz AUSHIWRROXAKFK-CYBMUJFWSA-N 1 1 281.783 2.925 50 0 CFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000060470206 373696796 /nfs/dbraw/zinc/69/67/96/373696796.db2.gz CHUWZURSOHVIPN-CYBMUJFWSA-N 1 1 295.386 2.510 50 0 CFAAMO Cc1[nH+]ccn1CC1CCN(C(=O)c2cccs2)CC1 ZINC000062017641 373743803 /nfs/dbraw/zinc/74/38/03/373743803.db2.gz PWVQPJSMNRUIQS-UHFFFAOYSA-N 1 1 289.404 2.805 50 0 CFAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2cccnc2)on1 ZINC000064666993 373834231 /nfs/dbraw/zinc/83/42/31/373834231.db2.gz BUAPZKUTGCYLDY-CQSZACIVSA-N 1 1 257.337 2.969 50 0 CFAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2cccnc2)on1 ZINC000064666993 373834243 /nfs/dbraw/zinc/83/42/43/373834243.db2.gz BUAPZKUTGCYLDY-CQSZACIVSA-N 1 1 257.337 2.969 50 0 CFAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000065509110 373882346 /nfs/dbraw/zinc/88/23/46/373882346.db2.gz LXORQAOOIVKMME-LLVKDONJSA-N 1 1 268.320 2.811 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CSc1ccccn1 ZINC000065539746 373885662 /nfs/dbraw/zinc/88/56/62/373885662.db2.gz OBJIXYNZJQQSJH-HNNXBMFYSA-N 1 1 288.416 2.667 50 0 CFAAMO Cc1ncc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000065552725 373886560 /nfs/dbraw/zinc/88/65/60/373886560.db2.gz LVMDYHGHKSSNJK-CYBMUJFWSA-N 1 1 288.420 2.781 50 0 CFAAMO C[N@@H+](CCCNC(=O)c1ccco1)C1CCCCC1 ZINC000065562452 373886988 /nfs/dbraw/zinc/88/69/88/373886988.db2.gz NDEXSUODLXEUDT-UHFFFAOYSA-N 1 1 264.369 2.664 50 0 CFAAMO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000065566457 373889654 /nfs/dbraw/zinc/88/96/54/373889654.db2.gz OBJGQKDFHUGAFB-RYUDHWBXSA-N 1 1 294.361 2.956 50 0 CFAAMO OCC[N@@H+](C[C@@H]1CCOC1)CC12CC3CC(CC(C3)C1)C2 ZINC000065394499 373865001 /nfs/dbraw/zinc/86/50/01/373865001.db2.gz WMRTZFPBDGWJTK-NUVRTYOOSA-N 1 1 293.451 2.534 50 0 CFAAMO CC(C)(CO)[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC000065405885 373865724 /nfs/dbraw/zinc/86/57/24/373865724.db2.gz UEZUKALZTADFSZ-UHFFFAOYSA-N 1 1 270.376 2.855 50 0 CFAAMO CCc1nc(NCc2ccccc2OC)cc(C)[nH+]1 ZINC000065398084 373866786 /nfs/dbraw/zinc/86/67/86/373866786.db2.gz MWJBYSZGCKNKFO-UHFFFAOYSA-N 1 1 257.337 2.968 50 0 CFAAMO c1cn(C[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000065408278 373868687 /nfs/dbraw/zinc/86/86/87/373868687.db2.gz ZPDXLVSVDBHUHT-QGZVFWFLSA-N 1 1 269.392 2.838 50 0 CFAAMO Cc1nc([C@@H]2CCCCC[N@H+]2C)n(-c2ccccn2)n1 ZINC000065410042 373869332 /nfs/dbraw/zinc/86/93/32/373869332.db2.gz BQCHEEYZBBHBAN-ZDUSSCGKSA-N 1 1 271.368 2.518 50 0 CFAAMO Cc1nc([C@@H]2CCCCC[N@@H+]2C)n(-c2ccccn2)n1 ZINC000065410042 373869341 /nfs/dbraw/zinc/86/93/41/373869341.db2.gz BQCHEEYZBBHBAN-ZDUSSCGKSA-N 1 1 271.368 2.518 50 0 CFAAMO CCCc1cc(C[N@@H+](C)C2CCSCC2)[nH]n1 ZINC000065460500 373875195 /nfs/dbraw/zinc/87/51/95/373875195.db2.gz BOAUVDLVZBGWCN-UHFFFAOYSA-N 1 1 253.415 2.690 50 0 CFAAMO CCCc1cc(C[N@H+](C)C2CCSCC2)n[nH]1 ZINC000065460500 373875202 /nfs/dbraw/zinc/87/52/02/373875202.db2.gz BOAUVDLVZBGWCN-UHFFFAOYSA-N 1 1 253.415 2.690 50 0 CFAAMO CCCc1cc(C[N@@H+](C)C2CCSCC2)n[nH]1 ZINC000065460500 373875209 /nfs/dbraw/zinc/87/52/09/373875209.db2.gz BOAUVDLVZBGWCN-UHFFFAOYSA-N 1 1 253.415 2.690 50 0 CFAAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065469268 373875475 /nfs/dbraw/zinc/87/54/75/373875475.db2.gz DEJKEIDIVKKSSE-AWEZNQCLSA-N 1 1 297.402 2.705 50 0 CFAAMO CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1 ZINC000065464712 373876177 /nfs/dbraw/zinc/87/61/77/373876177.db2.gz XIAKNNSBIQCBPW-INIZCTEOSA-N 1 1 276.380 2.646 50 0 CFAAMO C[C@H](CC1=CCC[N@@H+](C)C1)NC(=O)c1ccnc(Cl)c1 ZINC000067714797 373996937 /nfs/dbraw/zinc/99/69/37/373996937.db2.gz CQIXLMKHATUZPS-LLVKDONJSA-N 1 1 293.798 2.505 50 0 CFAAMO COc1ccc2nc(C[NH2+][C@@H](C)CC(C)(C)OC)[nH]c2c1 ZINC000067847284 374009686 /nfs/dbraw/zinc/00/96/86/374009686.db2.gz FXVJRJICQYZVCG-NSHDSACASA-N 1 1 291.395 2.865 50 0 CFAAMO C[N@H+]1CCC[C@@H](CCNC(=O)C(C)(C)c2ccccc2)C1 ZINC000067435192 373979175 /nfs/dbraw/zinc/97/91/75/373979175.db2.gz FOKWVTLCHXKNQQ-HNNXBMFYSA-N 1 1 288.435 2.812 50 0 CFAAMO CCCC(=O)N1CCC([N@H+]2CCCC[C@@H]2CCOC)CC1 ZINC000067587577 373986082 /nfs/dbraw/zinc/98/60/82/373986082.db2.gz UYJDXNVHRUVTPV-OAHLLOKOSA-N 1 1 296.455 2.669 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC000067675539 373988952 /nfs/dbraw/zinc/98/89/52/373988952.db2.gz GFTRIQPRFWWMPX-VFJIKVCNSA-N 1 1 293.436 2.551 50 0 CFAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC000067674457 373989055 /nfs/dbraw/zinc/98/90/55/373989055.db2.gz GVYMHGNMQFPTSQ-ZDUSSCGKSA-N 1 1 293.411 2.506 50 0 CFAAMO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CC(C)C ZINC000068334713 374027596 /nfs/dbraw/zinc/02/75/96/374027596.db2.gz YOSSTSFTHMUXQW-CQSZACIVSA-N 1 1 262.397 2.588 50 0 CFAAMO COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000069629898 374080506 /nfs/dbraw/zinc/08/05/06/374080506.db2.gz BTVPTPOERREMAG-OAHLLOKOSA-N 1 1 271.364 2.556 50 0 CFAAMO CC[NH2+][C@H]1C(=O)Nc2ccccc2N=C1c1ccccc1 ZINC000068566321 374034561 /nfs/dbraw/zinc/03/45/61/374034561.db2.gz YHOGOJIWCCURBM-MRXNPFEDSA-N 1 1 279.343 2.738 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000069620810 374081283 /nfs/dbraw/zinc/08/12/83/374081283.db2.gz XLXLCEMQXVMLKW-KBPBESRZSA-N 1 1 294.345 2.664 50 0 CFAAMO Cc1oc(-c2ccsc2)nc1C[N@H+](CCO)C1CC1 ZINC000069453109 374064356 /nfs/dbraw/zinc/06/43/56/374064356.db2.gz VMPKZLOMQVUGEZ-UHFFFAOYSA-N 1 1 278.377 2.668 50 0 CFAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+](CCO)C1CC1 ZINC000069453109 374064363 /nfs/dbraw/zinc/06/43/63/374064363.db2.gz VMPKZLOMQVUGEZ-UHFFFAOYSA-N 1 1 278.377 2.668 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)o1 ZINC000069455520 374065875 /nfs/dbraw/zinc/06/58/75/374065875.db2.gz RCZGJLQXXAMNCH-ZIAGYGMSSA-N 1 1 276.380 2.541 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1cccs1 ZINC000069490775 374068494 /nfs/dbraw/zinc/06/84/94/374068494.db2.gz VKCZSOYHFAWKHT-CABCVRRESA-N 1 1 292.448 2.766 50 0 CFAAMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(F)cc1Cl ZINC000069515780 374069545 /nfs/dbraw/zinc/06/95/45/374069545.db2.gz MBDKBSOEXYWRMK-UHFFFAOYSA-N 1 1 272.751 2.549 50 0 CFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000069529733 374072862 /nfs/dbraw/zinc/07/28/62/374072862.db2.gz WJWQKWFDNBFHGI-NSHDSACASA-N 1 1 278.783 2.554 50 0 CFAAMO c1cc(CC[N@@H+]2CCC[C@H]2CN2CCCCC2)ccn1 ZINC000069561735 374074512 /nfs/dbraw/zinc/07/45/12/374074512.db2.gz QWUGMEUPMJEYSJ-KRWDZBQOSA-N 1 1 273.424 2.574 50 0 CFAAMO c1cc(CC[N@H+]2CCC[C@H]2CN2CCCCC2)ccn1 ZINC000069561735 374074518 /nfs/dbraw/zinc/07/45/18/374074518.db2.gz QWUGMEUPMJEYSJ-KRWDZBQOSA-N 1 1 273.424 2.574 50 0 CFAAMO Fc1ccccc1CN1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000069568175 374075378 /nfs/dbraw/zinc/07/53/78/374075378.db2.gz KGILEXLNZUYNTH-UHFFFAOYSA-N 1 1 299.393 2.929 50 0 CFAAMO Fc1ccccc1C[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000069568175 374075384 /nfs/dbraw/zinc/07/53/84/374075384.db2.gz KGILEXLNZUYNTH-UHFFFAOYSA-N 1 1 299.393 2.929 50 0 CFAAMO Fc1ccccc1C[N@H+]1CCCN(Cc2cccnc2)CC1 ZINC000069568175 374075389 /nfs/dbraw/zinc/07/53/89/374075389.db2.gz KGILEXLNZUYNTH-UHFFFAOYSA-N 1 1 299.393 2.929 50 0 CFAAMO CCc1ncc2c(n1)C[N@H+](CCc1cccs1)CC2 ZINC000070016137 374116298 /nfs/dbraw/zinc/11/62/98/374116298.db2.gz QPIHTCSLWZRHBP-UHFFFAOYSA-N 1 1 273.405 2.701 50 0 CFAAMO CC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1CCOC ZINC000069738357 374091849 /nfs/dbraw/zinc/09/18/49/374091849.db2.gz FZFZXVGZUCIDDD-RUJXFNLJSA-N 1 1 288.435 2.742 50 0 CFAAMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)c(O)co2)cc1 ZINC000069743838 374092980 /nfs/dbraw/zinc/09/29/80/374092980.db2.gz NQUWVBSUMAVAHO-HNNXBMFYSA-N 1 1 285.343 2.991 50 0 CFAAMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCOCO1 ZINC000069779535 374095983 /nfs/dbraw/zinc/09/59/83/374095983.db2.gz XXCLXKKQYXNWTI-GFCCVEGCSA-N 1 1 289.297 2.900 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000069811580 374100403 /nfs/dbraw/zinc/10/04/03/374100403.db2.gz ZNWHWHAHZPGNJH-GFCCVEGCSA-N 1 1 276.767 2.845 50 0 CFAAMO Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2)no1 ZINC000069873575 374105629 /nfs/dbraw/zinc/10/56/29/374105629.db2.gz UZZYRKCJQNHSIR-OAHLLOKOSA-N 1 1 299.374 2.801 50 0 CFAAMO Cc1ccc(N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000072429910 374252058 /nfs/dbraw/zinc/25/20/58/374252058.db2.gz QFOVRFJAXWGLED-KRWDZBQOSA-N 1 1 296.418 2.904 50 0 CFAAMO COC(=O)c1cccc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000072662864 374273598 /nfs/dbraw/zinc/27/35/98/374273598.db2.gz SFIMYGNFJLUTKU-UHFFFAOYSA-N 1 1 290.388 2.955 50 0 CFAAMO CCOCC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1Cl ZINC000072267589 374238087 /nfs/dbraw/zinc/23/80/87/374238087.db2.gz DRVBXPKAVSHYNE-LLVKDONJSA-N 1 1 271.792 2.555 50 0 CFAAMO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2nc(C)c(C)o2)c1 ZINC000072269881 374238647 /nfs/dbraw/zinc/23/86/47/374238647.db2.gz PCKNLXIJODFYLQ-PWSUYJOCSA-N 1 1 262.357 2.536 50 0 CFAAMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC2(CC1)OCCO2 ZINC000072310600 374244484 /nfs/dbraw/zinc/24/44/84/374244484.db2.gz CSYCWBJGBVCKCP-LBPRGKRZSA-N 1 1 294.395 2.872 50 0 CFAAMO C[N@H+](Cc1cn2ccccc2n1)[C@H](CCO)c1ccccc1 ZINC000075897596 374511165 /nfs/dbraw/zinc/51/11/65/374511165.db2.gz UGCAEXUXJZMCGX-QGZVFWFLSA-N 1 1 295.386 2.890 50 0 CFAAMO C[N@@H+](Cc1cn2ccccc2n1)[C@H](CCO)c1ccccc1 ZINC000075897596 374511169 /nfs/dbraw/zinc/51/11/69/374511169.db2.gz UGCAEXUXJZMCGX-QGZVFWFLSA-N 1 1 295.386 2.890 50 0 CFAAMO c1ccc(OC[C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000079100085 374594049 /nfs/dbraw/zinc/59/40/49/374594049.db2.gz BEJDLYHTKWCXRF-CQSZACIVSA-N 1 1 299.374 2.990 50 0 CFAAMO c1ccc(OC[C@H]2CCC[N@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000079100085 374594054 /nfs/dbraw/zinc/59/40/54/374594054.db2.gz BEJDLYHTKWCXRF-CQSZACIVSA-N 1 1 299.374 2.990 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000079333129 374603886 /nfs/dbraw/zinc/60/38/86/374603886.db2.gz FYHSZKRZANRLHI-UHFFFAOYSA-N 1 1 284.762 2.647 50 0 CFAAMO Cc1nnc(C[N@@H+]2CCSC3(CCCCC3)C2)o1 ZINC000079503847 374615929 /nfs/dbraw/zinc/61/59/29/374615929.db2.gz QNXVEVBNXJKIIT-UHFFFAOYSA-N 1 1 267.398 2.630 50 0 CFAAMO Cc1nnc(C[N@H+]2CCSC3(CCCCC3)C2)o1 ZINC000079503847 374615937 /nfs/dbraw/zinc/61/59/37/374615937.db2.gz QNXVEVBNXJKIIT-UHFFFAOYSA-N 1 1 267.398 2.630 50 0 CFAAMO CN(CC[N@@H+](C)CCc1ccncc1)c1ccccc1 ZINC000083861130 374759611 /nfs/dbraw/zinc/75/96/11/374759611.db2.gz DUFCKFOKCZNHLW-UHFFFAOYSA-N 1 1 269.392 2.692 50 0 CFAAMO Cc1ccc(-c2noc([C@H](C)n3cc[nH+]c3C(C)C)n2)nn1 ZINC000082099354 374726122 /nfs/dbraw/zinc/72/61/22/374726122.db2.gz WLUAKICTTRNILQ-NSHDSACASA-N 1 1 298.350 2.764 50 0 CFAAMO CCC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1N(C)C ZINC000082125459 374726930 /nfs/dbraw/zinc/72/69/30/374726930.db2.gz HSJHMBCIZZRGTK-IAGOWNOFSA-N 1 1 260.425 2.891 50 0 CFAAMO CCC[C@@H]1CN(CCc2ccccc2)C[C@H]1[NH+](C)C ZINC000082125459 374726939 /nfs/dbraw/zinc/72/69/39/374726939.db2.gz HSJHMBCIZZRGTK-IAGOWNOFSA-N 1 1 260.425 2.891 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@@H]2c2nc([C@@H]3CCOC3)no2)cc1 ZINC000089647469 374933230 /nfs/dbraw/zinc/93/32/30/374933230.db2.gz TZYNOGGWGYHJTN-HUUCEWRRSA-N 1 1 299.374 2.911 50 0 CFAAMO c1ccc(C[N@H+]2CCC[C@@H]2c2nc([C@@H]3CCOC3)no2)cc1 ZINC000089647469 374933236 /nfs/dbraw/zinc/93/32/36/374933236.db2.gz TZYNOGGWGYHJTN-HUUCEWRRSA-N 1 1 299.374 2.911 50 0 CFAAMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1oc(=O)oc1C ZINC000089943661 374975100 /nfs/dbraw/zinc/97/51/00/374975100.db2.gz YFMGIKOONDQLQV-CQSZACIVSA-N 1 1 275.348 2.994 50 0 CFAAMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000089941274 374972478 /nfs/dbraw/zinc/97/24/78/374972478.db2.gz OPVYHCXHJDUILO-ZYHUDNBSSA-N 1 1 295.333 2.665 50 0 CFAAMO CN(C)c1ccc(C[C@H]2COc3ccccc3C2)c[nH+]1 ZINC000092099649 375087592 /nfs/dbraw/zinc/08/75/92/375087592.db2.gz FHEBGXBXUPRICZ-CQSZACIVSA-N 1 1 268.360 2.941 50 0 CFAAMO Cc1nc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)[nH]c1C ZINC000571582472 383707465 /nfs/dbraw/zinc/70/74/65/383707465.db2.gz RXBOEUSTQFMURB-RHSMWYFYSA-N 1 1 286.423 2.808 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@H](OCCC(C)C)C2)nc1 ZINC000095462708 375456765 /nfs/dbraw/zinc/45/67/65/375456765.db2.gz OVKXZEFOKXEYDZ-INIZCTEOSA-N 1 1 278.396 2.727 50 0 CFAAMO Cc1ccc2ncc(C[NH2+]Cc3ccc(Cl)cn3)n2c1 ZINC000095988542 375467347 /nfs/dbraw/zinc/46/73/47/375467347.db2.gz DOINGHSQAPUQLW-UHFFFAOYSA-N 1 1 286.766 2.981 50 0 CFAAMO CC[N@@H+](C)[C@@H](C)CCNc1cc(C(C)C)ncn1 ZINC000095352410 375417804 /nfs/dbraw/zinc/41/78/04/375417804.db2.gz GJQKTBOTHBRZCG-LBPRGKRZSA-N 1 1 250.390 2.742 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCn1c(=O)ccc2ccccc21 ZINC000095378634 375425384 /nfs/dbraw/zinc/42/53/84/375425384.db2.gz JJJVAGXTCZXELK-OAHLLOKOSA-N 1 1 270.376 2.876 50 0 CFAAMO CCc1c[nH+]c(N)nc1NCc1ccc2cc[nH]c2c1 ZINC000095391696 375428236 /nfs/dbraw/zinc/42/82/36/375428236.db2.gz MWZFDWGOGYHVBT-UHFFFAOYSA-N 1 1 267.336 2.715 50 0 CFAAMO O=c1c2ccccc2sn1Cc1[nH+]ccn1C1CC1 ZINC000095392067 375428608 /nfs/dbraw/zinc/42/86/08/375428608.db2.gz PUEQWPSISFXXGS-UHFFFAOYSA-N 1 1 271.345 2.643 50 0 CFAAMO Cc1ccccc1[C@@H](C(=O)NCc1ccc(O)cc1)[NH+](C)C ZINC000095391315 375429052 /nfs/dbraw/zinc/42/90/52/375429052.db2.gz WITWCCJBHVXSBQ-KRWDZBQOSA-N 1 1 298.386 2.620 50 0 CFAAMO OCCCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000095398403 375431356 /nfs/dbraw/zinc/43/13/56/375431356.db2.gz NYVXIFSNACKSHH-HNNXBMFYSA-N 1 1 265.422 2.939 50 0 CFAAMO c1nc(C[NH+]2CCC(COc3ccccn3)CC2)cs1 ZINC000095408406 375434615 /nfs/dbraw/zinc/43/46/15/375434615.db2.gz SZRIMAAONRCXMX-UHFFFAOYSA-N 1 1 289.404 2.829 50 0 CFAAMO CNC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000095426348 375443585 /nfs/dbraw/zinc/44/35/85/375443585.db2.gz MUMVJEOVVMZBOW-DOTOQJQBSA-N 1 1 272.392 2.524 50 0 CFAAMO CS[C@H]1CCCC[N@@H+](CCc2ccncc2)C1 ZINC000095432365 375446969 /nfs/dbraw/zinc/44/69/69/375446969.db2.gz YWYVHWKCDXTVCY-AWEZNQCLSA-N 1 1 250.411 2.842 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCSc1ccccc1S(C)(=O)=O ZINC000095442174 375450612 /nfs/dbraw/zinc/45/06/12/375450612.db2.gz RTKUQMIOMLWJIQ-GFCCVEGCSA-N 1 1 299.461 2.667 50 0 CFAAMO Cc1n[nH]c(C)c1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000097159026 375531873 /nfs/dbraw/zinc/53/18/73/375531873.db2.gz DWMUPMGKQYNIHU-UHFFFAOYSA-N 1 1 298.434 2.781 50 0 CFAAMO COC(=O)C[C@H](c1c2[nH]s[nH+]c-2ccc1=O)C(C)C ZINC000096230762 375479697 /nfs/dbraw/zinc/47/96/97/375479697.db2.gz FKQZLXOIHLYPHC-QMMMGPOBSA-N 1 1 280.349 2.700 50 0 CFAAMO C[N@@H+](CCc1ccncc1)CCc1ccc2c(c1)CCO2 ZINC000097051090 375504457 /nfs/dbraw/zinc/50/44/57/375504457.db2.gz GSPSKQFFGDGYHQ-UHFFFAOYSA-N 1 1 282.387 2.734 50 0 CFAAMO COC[C@H]1CCC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000097099669 375516920 /nfs/dbraw/zinc/51/69/20/375516920.db2.gz JNRQQBRGVOMEQV-HNNXBMFYSA-N 1 1 275.392 2.926 50 0 CFAAMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000097101257 375517963 /nfs/dbraw/zinc/51/79/63/375517963.db2.gz KIYZBSIFXLCOIH-JKSUJKDBSA-N 1 1 279.424 2.860 50 0 CFAAMO Cc1csc([C@H](C)NCC[NH+]2CCCCC2)n1 ZINC000097112095 375523315 /nfs/dbraw/zinc/52/33/15/375523315.db2.gz CODHXCJBJNUYKR-LBPRGKRZSA-N 1 1 253.415 2.588 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@H+](C)Cc1cccnc1 ZINC000097113589 375524931 /nfs/dbraw/zinc/52/49/31/375524931.db2.gz RJSSRNTXTRRBDY-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1cccnc1 ZINC000097113589 375524935 /nfs/dbraw/zinc/52/49/35/375524935.db2.gz RJSSRNTXTRRBDY-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139130 375527173 /nfs/dbraw/zinc/52/71/73/375527173.db2.gz RSAMZGGDQUVMAY-JSGCOSHPSA-N 1 1 277.364 2.742 50 0 CFAAMO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139130 375527176 /nfs/dbraw/zinc/52/71/76/375527176.db2.gz RSAMZGGDQUVMAY-JSGCOSHPSA-N 1 1 277.364 2.742 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(C)n1 ZINC000097142777 375529791 /nfs/dbraw/zinc/52/97/91/375529791.db2.gz MBVOOOYWNPZUBA-CQSZACIVSA-N 1 1 299.378 2.591 50 0 CFAAMO Cc1ccc(C[N@H+](Cc2cnn(C)c2)C2CC2)s1 ZINC000097272442 375546573 /nfs/dbraw/zinc/54/65/73/375546573.db2.gz LSBLBFODHCNKFZ-UHFFFAOYSA-N 1 1 261.394 2.955 50 0 CFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000097522166 375568418 /nfs/dbraw/zinc/56/84/18/375568418.db2.gz DNYYHRAJWWCATQ-GFCCVEGCSA-N 1 1 297.362 2.523 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000097601143 375571768 /nfs/dbraw/zinc/57/17/68/375571768.db2.gz JJTREDKBGXULFO-UHFFFAOYSA-N 1 1 297.406 2.967 50 0 CFAAMO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000098211879 375610424 /nfs/dbraw/zinc/61/04/24/375610424.db2.gz QPTGPDSZKMDFFR-UHFFFAOYSA-N 1 1 285.391 2.922 50 0 CFAAMO O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000102546206 375678693 /nfs/dbraw/zinc/67/86/93/375678693.db2.gz WTPNXWMYXRGUJR-MNOVXSKESA-N 1 1 299.201 2.704 50 0 CFAAMO O=C1N[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000102546206 375678696 /nfs/dbraw/zinc/67/86/96/375678696.db2.gz WTPNXWMYXRGUJR-MNOVXSKESA-N 1 1 299.201 2.704 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1 ZINC000120499264 376626642 /nfs/dbraw/zinc/62/66/42/376626642.db2.gz VMWKXAIGKAPEJE-LLVKDONJSA-N 1 1 262.382 2.554 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1 ZINC000120499264 376626651 /nfs/dbraw/zinc/62/66/51/376626651.db2.gz VMWKXAIGKAPEJE-LLVKDONJSA-N 1 1 262.382 2.554 50 0 CFAAMO Cc1noc([C@H]2CCN(c3cc[nH+]c4ccsc43)C2)n1 ZINC000333720172 378850654 /nfs/dbraw/zinc/85/06/54/378850654.db2.gz RFXXUULYNUPHJT-JTQLQIEISA-N 1 1 286.360 2.982 50 0 CFAAMO C(Cc1noc([C@H]2CCCC[NH2+]2)n1)OCC1CCCC1 ZINC000169676521 379108098 /nfs/dbraw/zinc/10/80/98/379108098.db2.gz BAHJLSHXNNIUIQ-CYBMUJFWSA-N 1 1 279.384 2.634 50 0 CFAAMO C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)CCCO1 ZINC000170766493 379150427 /nfs/dbraw/zinc/15/04/27/379150427.db2.gz GGLRKRBMFIWAMW-NSHDSACASA-N 1 1 271.307 2.899 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)CCCO1 ZINC000170766493 379150433 /nfs/dbraw/zinc/15/04/33/379150433.db2.gz GGLRKRBMFIWAMW-NSHDSACASA-N 1 1 271.307 2.899 50 0 CFAAMO c1nc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cs1 ZINC000171128687 379238299 /nfs/dbraw/zinc/23/82/99/379238299.db2.gz BYRWYFQNXZOVAI-UHFFFAOYSA-N 1 1 299.403 2.565 50 0 CFAAMO Cc1nnc([C@H]2CCC[N@@H+](CC3=CCCCC3)C2)[nH]1 ZINC000334676114 379751247 /nfs/dbraw/zinc/75/12/47/379751247.db2.gz MMYSWWHKCOLTDD-AWEZNQCLSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@H+](CC3=CCCCC3)C2)n1 ZINC000334676114 379751256 /nfs/dbraw/zinc/75/12/56/379751256.db2.gz MMYSWWHKCOLTDD-AWEZNQCLSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CC3=CCCCC3)C2)n1 ZINC000334676114 379751262 /nfs/dbraw/zinc/75/12/62/379751262.db2.gz MMYSWWHKCOLTDD-AWEZNQCLSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+](CC3=CCCCC3)C2)n[nH]1 ZINC000334676114 379751269 /nfs/dbraw/zinc/75/12/69/379751269.db2.gz MMYSWWHKCOLTDD-AWEZNQCLSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1nc([C@H]2CCC[N@@H+](CC3=CCCCC3)C2)n[nH]1 ZINC000334676114 379751273 /nfs/dbraw/zinc/75/12/73/379751273.db2.gz MMYSWWHKCOLTDD-AWEZNQCLSA-N 1 1 260.385 2.793 50 0 CFAAMO O=C(C[NH+]1CCC(=Cc2cccc(F)c2)CC1)N1CCC1 ZINC000408516259 380936010 /nfs/dbraw/zinc/93/60/10/380936010.db2.gz QZEOGUMDFOMKPL-UHFFFAOYSA-N 1 1 288.366 2.537 50 0 CFAAMO Cc1cccc(NCc2cccc(CS(C)(=O)=O)c2)[nH+]1 ZINC000184562575 381434951 /nfs/dbraw/zinc/43/49/51/381434951.db2.gz OOZIJNVUTCRJDN-UHFFFAOYSA-N 1 1 290.388 2.547 50 0 CFAAMO CCN(CC(F)(F)F)C(=O)C[C@H](C)n1cc[nH+]c1C ZINC000299757421 382041344 /nfs/dbraw/zinc/04/13/44/382041344.db2.gz HDRLHJRJNICHSN-VIFPVBQESA-N 1 1 277.290 2.553 50 0 CFAAMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nnc(C)o2)c1 ZINC000328587302 382550311 /nfs/dbraw/zinc/55/03/11/382550311.db2.gz XZAVMWHTUYPXKU-NHYWBVRUSA-N 1 1 287.363 2.970 50 0 CFAAMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nnc(C)o2)c1 ZINC000328587302 382550314 /nfs/dbraw/zinc/55/03/14/382550314.db2.gz XZAVMWHTUYPXKU-NHYWBVRUSA-N 1 1 287.363 2.970 50 0 CFAAMO C[C@@H]1CC[N@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000390835077 382619561 /nfs/dbraw/zinc/61/95/61/382619561.db2.gz CCDQOCXZUHTZMX-ZIAGYGMSSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@@H]1CC[N@@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000390835077 382619564 /nfs/dbraw/zinc/61/95/64/382619564.db2.gz CCDQOCXZUHTZMX-ZIAGYGMSSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@@H]1CC[N@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000390835075 382619878 /nfs/dbraw/zinc/61/98/78/382619878.db2.gz CCDQOCXZUHTZMX-KGLIPLIRSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000390835075 382619881 /nfs/dbraw/zinc/61/98/81/382619881.db2.gz CCDQOCXZUHTZMX-KGLIPLIRSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000191533219 382701370 /nfs/dbraw/zinc/70/13/70/382701370.db2.gz AERCVERYEKOSKV-CWSCBRNRSA-N 1 1 291.326 2.704 50 0 CFAAMO C[C@@H]([NH2+][C@@H]1CCSC1)c1nc(Cc2ccccc2)no1 ZINC000191600157 382701511 /nfs/dbraw/zinc/70/15/11/382701511.db2.gz BUTUQNIBDJTDGL-DGCLKSJQSA-N 1 1 289.404 2.817 50 0 CFAAMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000193916467 382729587 /nfs/dbraw/zinc/72/95/87/382729587.db2.gz GREDNBBARQQPKF-CABCVRRESA-N 1 1 275.396 2.775 50 0 CFAAMO CCn1cnnc1C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000195553482 382769607 /nfs/dbraw/zinc/76/96/07/382769607.db2.gz LCRYYLWUFUOCDB-BLLLJJGKSA-N 1 1 270.380 2.630 50 0 CFAAMO CC[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000214978908 382777605 /nfs/dbraw/zinc/77/76/05/382777605.db2.gz NTPBGOPMSDUEJZ-MRXNPFEDSA-N 1 1 283.375 2.764 50 0 CFAAMO C[N@@H+](Cc1nc(C2CC2)no1)C[C@@H]1CCOC(C)(C)C1 ZINC000215317726 382778668 /nfs/dbraw/zinc/77/86/68/382778668.db2.gz MNQDGWIHAMFDKB-LLVKDONJSA-N 1 1 279.384 2.584 50 0 CFAAMO C[N@H+](Cc1nc(C2CC2)no1)C[C@@H]1CCOC(C)(C)C1 ZINC000215317726 382778671 /nfs/dbraw/zinc/77/86/71/382778671.db2.gz MNQDGWIHAMFDKB-LLVKDONJSA-N 1 1 279.384 2.584 50 0 CFAAMO CC[N@@H+](Cc1cscn1)[C@H]1CCOC(C)(C)C1 ZINC000215474313 382778941 /nfs/dbraw/zinc/77/89/41/382778941.db2.gz YHDYUMAKGZQFFI-LBPRGKRZSA-N 1 1 254.399 2.923 50 0 CFAAMO OCC[C@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000215472332 382779206 /nfs/dbraw/zinc/77/92/06/382779206.db2.gz HXHZGTPTGKIIMJ-OAHLLOKOSA-N 1 1 258.365 2.905 50 0 CFAAMO FC1(F)CC[NH+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000215981275 382781332 /nfs/dbraw/zinc/78/13/32/382781332.db2.gz ZAWHXHCZTOKTHT-UHFFFAOYSA-N 1 1 287.379 2.974 50 0 CFAAMO Cc1nnc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]1 ZINC000215914587 382781403 /nfs/dbraw/zinc/78/14/03/382781403.db2.gz DJRLUDOTZUPGPS-INIZCTEOSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000215914587 382781404 /nfs/dbraw/zinc/78/14/04/382781404.db2.gz DJRLUDOTZUPGPS-INIZCTEOSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000215914587 382781405 /nfs/dbraw/zinc/78/14/05/382781405.db2.gz DJRLUDOTZUPGPS-INIZCTEOSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000215914587 382781406 /nfs/dbraw/zinc/78/14/06/382781406.db2.gz DJRLUDOTZUPGPS-INIZCTEOSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1nc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000215914587 382781407 /nfs/dbraw/zinc/78/14/07/382781407.db2.gz DJRLUDOTZUPGPS-INIZCTEOSA-N 1 1 284.407 2.925 50 0 CFAAMO Cc1ccc2nc(C)c(C(=O)NCCc3cnc[nH]3)cc2c1 ZINC000216177448 382782205 /nfs/dbraw/zinc/78/22/05/382782205.db2.gz VYTYZZHMSNGWQL-UHFFFAOYSA-N 1 1 294.358 2.547 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)CCc2ccncc2)cn1 ZINC000216290921 382783003 /nfs/dbraw/zinc/78/30/03/382783003.db2.gz MHCJKBYBNBUPOM-UHFFFAOYSA-N 1 1 271.364 2.550 50 0 CFAAMO CCc1nnc(C[N@H+](CC)CC[C@@H](C)SC)o1 ZINC000216366157 382783081 /nfs/dbraw/zinc/78/30/81/382783081.db2.gz DWRWSZPTHNSMOR-SNVBAGLBSA-N 1 1 257.403 2.596 50 0 CFAAMO CCc1nnc(C[N@@H+](CC)CC[C@@H](C)SC)o1 ZINC000216366157 382783083 /nfs/dbraw/zinc/78/30/83/382783083.db2.gz DWRWSZPTHNSMOR-SNVBAGLBSA-N 1 1 257.403 2.596 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+](C)C[C@H]2CC(=O)N(C)C2)cc1 ZINC000216292702 382783190 /nfs/dbraw/zinc/78/31/90/382783190.db2.gz MIJCFSUOKIXILJ-QGZVFWFLSA-N 1 1 288.435 2.795 50 0 CFAAMO CNC(=O)[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000225638808 382819437 /nfs/dbraw/zinc/81/94/37/382819437.db2.gz SALUMISWDIVABF-HNNXBMFYSA-N 1 1 266.429 2.805 50 0 CFAAMO CO[C@H](C[N@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000225785869 382821414 /nfs/dbraw/zinc/82/14/14/382821414.db2.gz ZHZBSMOHGWAUKG-ZWKOTPCHSA-N 1 1 298.386 2.922 50 0 CFAAMO COCc1cccc(C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)c1 ZINC000225843771 382822764 /nfs/dbraw/zinc/82/27/64/382822764.db2.gz ZGRSCPDOJLDMJB-WMLDXEAASA-N 1 1 277.408 2.816 50 0 CFAAMO c1cnn(C[C@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000229503806 382851563 /nfs/dbraw/zinc/85/15/63/382851563.db2.gz GIAPJSAHAOPKTH-SJLPKXTDSA-N 1 1 297.402 2.662 50 0 CFAAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCc2ccccc2)C1 ZINC000230104268 382855743 /nfs/dbraw/zinc/85/57/43/382855743.db2.gz ZJWWAGNNJPQPEN-ZWKOTPCHSA-N 1 1 294.398 2.648 50 0 CFAAMO Cc1ccnc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000230147729 382856365 /nfs/dbraw/zinc/85/63/65/382856365.db2.gz JQWKXKGWVNWQGV-JKSUJKDBSA-N 1 1 295.386 2.674 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)Cc2ccccc2)C1 ZINC000239351918 382981139 /nfs/dbraw/zinc/98/11/39/382981139.db2.gz AANISFHAJRWIDP-MAUKXSAKSA-N 1 1 288.435 2.665 50 0 CFAAMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(N(C)C)c1 ZINC000241447007 382983831 /nfs/dbraw/zinc/98/38/31/382983831.db2.gz NQKPCWRUWSSSQI-CQSZACIVSA-N 1 1 291.439 2.603 50 0 CFAAMO Clc1ccccc1[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC000242191409 382985503 /nfs/dbraw/zinc/98/55/03/382985503.db2.gz XFHWMJWTOTYZRI-AWEZNQCLSA-N 1 1 276.771 2.769 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000243919563 382988413 /nfs/dbraw/zinc/98/84/13/382988413.db2.gz BOXGAQLUBKNGDK-ZDUSSCGKSA-N 1 1 290.386 2.618 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2ccc(F)cc2[nH]1 ZINC000243919563 382988415 /nfs/dbraw/zinc/98/84/15/382988415.db2.gz BOXGAQLUBKNGDK-ZDUSSCGKSA-N 1 1 290.386 2.618 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CN(C)Cc1nc2ccc(F)cc2[nH]1 ZINC000243919563 382988420 /nfs/dbraw/zinc/98/84/20/382988420.db2.gz BOXGAQLUBKNGDK-ZDUSSCGKSA-N 1 1 290.386 2.618 50 0 CFAAMO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244633695 382989604 /nfs/dbraw/zinc/98/96/04/382989604.db2.gz GHXFOBYJGPEOOG-CYBMUJFWSA-N 1 1 287.407 2.823 50 0 CFAAMO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244633695 382989608 /nfs/dbraw/zinc/98/96/08/382989608.db2.gz GHXFOBYJGPEOOG-CYBMUJFWSA-N 1 1 287.407 2.823 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@H+](CCc3csc(C)n3)C2)n1 ZINC000244723693 382990950 /nfs/dbraw/zinc/99/09/50/382990950.db2.gz MFPSIWHJOPQPDI-HNNXBMFYSA-N 1 1 290.436 2.754 50 0 CFAAMO Cc1cnccc1CN(C)CC[N@@H+]1CCCC[C@H]1C ZINC000244723936 382991564 /nfs/dbraw/zinc/99/15/64/382991564.db2.gz MKPSSQAEVZBFGP-OAHLLOKOSA-N 1 1 261.413 2.696 50 0 CFAAMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000247754989 383194785 /nfs/dbraw/zinc/19/47/85/383194785.db2.gz VUFDWMHLJOXADP-ZBFHGGJFSA-N 1 1 272.392 2.798 50 0 CFAAMO C[C@]1(O)C[N@@H+](Cc2ccccc2)[C@H](c2ccccc2)C[C@H]1O ZINC000252014563 383403591 /nfs/dbraw/zinc/40/35/91/383403591.db2.gz VAKBKORICCUVPK-OTWHNJEPSA-N 1 1 297.398 2.746 50 0 CFAAMO C[C@@H]1CCC[C@H](CC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000252506862 383416061 /nfs/dbraw/zinc/41/60/61/383416061.db2.gz XDRCHXIBLMXJAU-QLFBSQMISA-N 1 1 266.429 2.661 50 0 CFAAMO CCn1cnnc1C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426551791 383405601 /nfs/dbraw/zinc/40/56/01/383405601.db2.gz KVDMVHJXDBFUST-OAHLLOKOSA-N 1 1 284.407 2.924 50 0 CFAAMO O[C@H](C[C@H]1CCCCC[N@H+]1C[C@H]1CCOC1)c1ccco1 ZINC000252477052 383409937 /nfs/dbraw/zinc/40/99/37/383409937.db2.gz HHSFVANVNJSTHU-BZUAXINKSA-N 1 1 293.407 2.984 50 0 CFAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCSC(C)(C)C)[C@H]2C1 ZINC000252489477 383412544 /nfs/dbraw/zinc/41/25/44/383412544.db2.gz JRTAWNCELQBPRA-RDBSUJKOSA-N 1 1 287.469 2.786 50 0 CFAAMO CC(C)c1nsc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250477580 383376291 /nfs/dbraw/zinc/37/62/91/383376291.db2.gz ZNHSISAHWMEXAN-QWRGUYRKSA-N 1 1 266.414 2.700 50 0 CFAAMO Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000252505350 383415056 /nfs/dbraw/zinc/41/50/56/383415056.db2.gz LJCQJMNXAZJMSS-UAGQMJEPSA-N 1 1 299.418 2.943 50 0 CFAAMO C[NH+](C)[C@@H]1CCCN(CCCc2ccco2)CC1 ZINC000252503966 383415080 /nfs/dbraw/zinc/41/50/80/383415080.db2.gz VHNNLUGNNNTFQU-CQSZACIVSA-N 1 1 250.386 2.628 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)CCC[C@H]2CCCO2)c(C)c1=O ZINC000253536766 383461977 /nfs/dbraw/zinc/46/19/77/383461977.db2.gz NTBFNUYIYOFFFK-AWEZNQCLSA-N 1 1 278.396 2.795 50 0 CFAAMO CNC(=O)NCCc1[nH+]cc(C)n1C1CCCCCC1 ZINC000257193903 383493276 /nfs/dbraw/zinc/49/32/76/383493276.db2.gz SDIARDXTBNGHFB-UHFFFAOYSA-N 1 1 278.400 2.558 50 0 CFAAMO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cccn2)n1 ZINC000257365733 383497073 /nfs/dbraw/zinc/49/70/73/383497073.db2.gz JFKPMDLDAFVMAV-OLZOCXBDSA-N 1 1 289.383 2.615 50 0 CFAAMO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cccn2)n1 ZINC000257365733 383497076 /nfs/dbraw/zinc/49/70/76/383497076.db2.gz JFKPMDLDAFVMAV-OLZOCXBDSA-N 1 1 289.383 2.615 50 0 CFAAMO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cccnc1 ZINC000272918908 385652393 /nfs/dbraw/zinc/65/23/93/385652393.db2.gz ILNIQBYJXGBXHA-CYBMUJFWSA-N 1 1 254.333 2.865 50 0 CFAAMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cccnc1 ZINC000272918908 385652396 /nfs/dbraw/zinc/65/23/96/385652396.db2.gz ILNIQBYJXGBXHA-CYBMUJFWSA-N 1 1 254.333 2.865 50 0 CFAAMO COCCC[N@@H+](Cc1[nH]cnc1C)Cc1ccc(F)cc1 ZINC000243885585 131083041 /nfs/dbraw/zinc/08/30/41/131083041.db2.gz AAPFWKQAPWDZTJ-UHFFFAOYSA-N 1 1 291.370 2.896 50 0 CFAAMO C[N@@H+](CCOc1ccccc1)C1CCC(CO)CC1 ZINC000268373518 132000656 /nfs/dbraw/zinc/00/06/56/132000656.db2.gz ICLVPLNDLXTCLN-UHFFFAOYSA-N 1 1 263.381 2.548 50 0 CFAAMO COc1cc2c(cc1C[N@@H+](C)C[C@@H]1CCOC1)CCC2 ZINC000824616752 781996204 /nfs/dbraw/zinc/99/62/04/781996204.db2.gz YXIILFMGOQXAJF-ZDUSSCGKSA-N 1 1 275.392 2.652 50 0 CFAAMO Cc1cc(N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)nc(C)[nH+]1 ZINC000301423940 393470290 /nfs/dbraw/zinc/47/02/90/393470290.db2.gz DAHPUFCBMLVGNU-WFASDCNBSA-N 1 1 296.374 2.699 50 0 CFAAMO Cc1cc(N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)nc(C)[nH+]1 ZINC000301423934 393470855 /nfs/dbraw/zinc/47/08/55/393470855.db2.gz DAHPUFCBMLVGNU-DOMZBBRYSA-N 1 1 296.374 2.699 50 0 CFAAMO CO[C@@]1(C)CCC[N@@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000684208507 542777085 /nfs/dbraw/zinc/77/70/85/542777085.db2.gz ZNGMQHVIWNZKCZ-INIZCTEOSA-N 1 1 273.380 2.644 50 0 CFAAMO O=C(NCCC(F)(F)F)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452107 393833895 /nfs/dbraw/zinc/83/38/95/393833895.db2.gz UMSOZSNNQIXWDX-NSHDSACASA-N 1 1 292.345 2.710 50 0 CFAAMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)nc1 ZINC000095981737 393813874 /nfs/dbraw/zinc/81/38/74/393813874.db2.gz OUZCXDXBGQQGQH-GDBMZVCRSA-N 1 1 270.380 2.670 50 0 CFAAMO O[C@H](C[N@@H+](CCc1ccncc1)C1CC1)c1ccccc1 ZINC000096410360 393823842 /nfs/dbraw/zinc/82/38/42/393823842.db2.gz LCDHUNOHBULWFZ-GOSISDBHSA-N 1 1 282.387 2.822 50 0 CFAAMO Cc1ccc(CC[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000096412965 393825259 /nfs/dbraw/zinc/82/52/59/393825259.db2.gz PTPRGERCKKQKJZ-QGZVFWFLSA-N 1 1 286.419 2.624 50 0 CFAAMO CCOC(=O)[C@@H]1[C@H](C[N@@H+](CCOC)[C@H](C)C2CC2)C1(C)C ZINC000252511606 393936916 /nfs/dbraw/zinc/93/69/16/393936916.db2.gz IOTAGSUDDFIWCC-SNPRPXQTSA-N 1 1 297.439 2.569 50 0 CFAAMO Cc1nccn1CCC[N@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000252509084 393937154 /nfs/dbraw/zinc/93/71/54/393937154.db2.gz YCDOGTWBNYMSTF-OAHLLOKOSA-N 1 1 286.423 2.848 50 0 CFAAMO CC(=O)c1c(F)cccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000083420600 135020259 /nfs/dbraw/zinc/02/02/59/135020259.db2.gz FFCVUTOJTWDAFC-CYBMUJFWSA-N 1 1 276.355 2.703 50 0 CFAAMO CC(=O)c1c(F)cccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000083420600 135020261 /nfs/dbraw/zinc/02/02/61/135020261.db2.gz FFCVUTOJTWDAFC-CYBMUJFWSA-N 1 1 276.355 2.703 50 0 CFAAMO Cc1noc([C@@H]2CCCN(c3cc[nH+]cc3Cl)C2)n1 ZINC000091455073 135070611 /nfs/dbraw/zinc/07/06/11/135070611.db2.gz WYFXZGKBXCXOQO-SNVBAGLBSA-N 1 1 278.743 2.810 50 0 CFAAMO Fc1cccc(-c2nnc(C[NH+]3CCCCC3)o2)c1 ZINC000030824901 542992196 /nfs/dbraw/zinc/99/21/96/542992196.db2.gz GEZJLCLMDZAGDF-UHFFFAOYSA-N 1 1 261.300 2.862 50 0 CFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CC=CCC1 ZINC000047174660 543087289 /nfs/dbraw/zinc/08/72/89/543087289.db2.gz SEEHMYGKIHLWAD-CYBMUJFWSA-N 1 1 282.347 2.871 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccsc2)ccn1 ZINC000047013414 397583762 /nfs/dbraw/zinc/58/37/62/397583762.db2.gz PUJXQDMPEVREFN-UHFFFAOYSA-N 1 1 298.371 2.567 50 0 CFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000046996402 397583783 /nfs/dbraw/zinc/58/37/83/397583783.db2.gz VFIWHWWVHRJLBL-ZIAGYGMSSA-N 1 1 278.421 2.722 50 0 CFAAMO Cc1nnc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000076048993 397591281 /nfs/dbraw/zinc/59/12/81/397591281.db2.gz RBKXOLYSNQHGPO-CVEARBPZSA-N 1 1 298.390 2.564 50 0 CFAAMO Cc1nnc([C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000076048993 397591282 /nfs/dbraw/zinc/59/12/82/397591282.db2.gz RBKXOLYSNQHGPO-CVEARBPZSA-N 1 1 298.390 2.564 50 0 CFAAMO COc1ccc([C@@H]2[C@@H](CNc3ncccn3)CC[N@H+]2C)cc1 ZINC000108081298 397597834 /nfs/dbraw/zinc/59/78/34/397597834.db2.gz PJPATEZLAMSCFC-GDBMZVCRSA-N 1 1 298.390 2.590 50 0 CFAAMO COCCCN1CCC([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000108501925 397598430 /nfs/dbraw/zinc/59/84/30/397598430.db2.gz VOSZRWVKSHDDNX-BFYDXBDKSA-N 1 1 282.472 2.902 50 0 CFAAMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@](C)(CO)C2)cc1 ZINC000108490090 397598478 /nfs/dbraw/zinc/59/84/78/397598478.db2.gz UOCHPJGVVNYLQU-YOEHRIQHSA-N 1 1 277.408 2.893 50 0 CFAAMO CCO[C@@H]1CCC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000108480409 397598488 /nfs/dbraw/zinc/59/84/88/397598488.db2.gz MCKRJUYAQPOCRF-TZMCWYRMSA-N 1 1 263.385 2.655 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000195575904 397611937 /nfs/dbraw/zinc/61/19/37/397611937.db2.gz IEDCSKIRYDVMMG-USXIJHARSA-N 1 1 278.440 2.779 50 0 CFAAMO CC[N@@H+](C)Cc1ccccc1OCCCn1ccnc1 ZINC000220262636 397621549 /nfs/dbraw/zinc/62/15/49/397621549.db2.gz QLDRQVANBQACFU-UHFFFAOYSA-N 1 1 273.380 2.804 50 0 CFAAMO CCOCC[N@H+]1CCN([C@@H](C)c2cccnc2)C[C@@H]1CC ZINC000069819900 286090188 /nfs/dbraw/zinc/09/01/88/286090188.db2.gz MSLCFPUXBGDRFS-RDJZCZTQSA-N 1 1 291.439 2.575 50 0 CFAAMO NC(=O)[C@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000352813092 163240167 /nfs/dbraw/zinc/24/01/67/163240167.db2.gz JJZTYQJRZWXRTM-MRXNPFEDSA-N 1 1 280.327 2.749 50 0 CFAAMO Cc1cc(Cl)ccc1OCCCC[N@@H+](C)CCO ZINC000002932091 169844713 /nfs/dbraw/zinc/84/47/13/169844713.db2.gz MMXNPTVSHIGLEJ-UHFFFAOYSA-N 1 1 271.788 2.732 50 0 CFAAMO C[C@H]([NH2+]Cc1ccco1)C(=O)N1c2ccccc2C[C@H]1C ZINC000003440347 169888242 /nfs/dbraw/zinc/88/82/42/169888242.db2.gz BDWQDHSMFPQUBF-OLZOCXBDSA-N 1 1 284.359 2.736 50 0 CFAAMO CCc1ccc(C[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000004342784 169960217 /nfs/dbraw/zinc/96/02/17/169960217.db2.gz CZHRRKKPZIBEFS-GRDNDAEWSA-N 1 1 261.409 2.883 50 0 CFAAMO O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCCC1 ZINC000004745041 170010131 /nfs/dbraw/zinc/01/01/31/170010131.db2.gz DUCAGEQAEQJQCQ-OAHLLOKOSA-N 1 1 290.382 2.660 50 0 CFAAMO O=C([C@H]1CCC[N@H+](Cc2ccccc2F)C1)N1CCCC1 ZINC000004745016 170010342 /nfs/dbraw/zinc/01/03/42/170010342.db2.gz DYBZXWAOEUFSKX-HNNXBMFYSA-N 1 1 290.382 2.660 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCOCCOc2ccc(C=O)cc2)C1 ZINC000004842024 170028105 /nfs/dbraw/zinc/02/81/05/170028105.db2.gz OVNWFHJOVIZZJG-HNNXBMFYSA-N 1 1 291.391 2.626 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2c[nH]c3ccccc23)C1 ZINC000004862808 170031975 /nfs/dbraw/zinc/03/19/75/170031975.db2.gz XTZAJWIPFFKQJR-WBMJQRKESA-N 1 1 258.365 2.933 50 0 CFAAMO CCc1ccc(NC(=O)CCn2cc[nH+]c2C)cc1 ZINC000004927241 170041470 /nfs/dbraw/zinc/04/14/70/170041470.db2.gz ZBSGKFURWWKILU-UHFFFAOYSA-N 1 1 257.337 2.783 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000005728750 170133911 /nfs/dbraw/zinc/13/39/11/170133911.db2.gz ORAJIJKLGLUESL-MRXNPFEDSA-N 1 1 282.343 2.785 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000006455110 170202557 /nfs/dbraw/zinc/20/25/57/170202557.db2.gz MMGBWQXPHCBIBW-PBHICJAKSA-N 1 1 289.419 2.647 50 0 CFAAMO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000006542580 170211853 /nfs/dbraw/zinc/21/18/53/170211853.db2.gz IKHULFXUWHRKKX-OAHLLOKOSA-N 1 1 294.398 2.750 50 0 CFAAMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000006542580 170211854 /nfs/dbraw/zinc/21/18/54/170211854.db2.gz IKHULFXUWHRKKX-OAHLLOKOSA-N 1 1 294.398 2.750 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCCOc2cccc(C=O)c2)C1 ZINC000006701183 170229394 /nfs/dbraw/zinc/22/93/94/170229394.db2.gz KUVCDVPQSDZEOX-AWEZNQCLSA-N 1 1 261.365 3.000 50 0 CFAAMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)o1 ZINC000006876073 170251781 /nfs/dbraw/zinc/25/17/81/170251781.db2.gz BBMSNWQLZRDIQJ-CYBMUJFWSA-N 1 1 276.336 2.522 50 0 CFAAMO COc1cccc(NC(=O)C[N@H+](C)CCc2ccccc2)c1 ZINC000007457094 170285784 /nfs/dbraw/zinc/28/57/84/170285784.db2.gz ONOBVTVXTMHFCR-UHFFFAOYSA-N 1 1 298.386 2.808 50 0 CFAAMO COc1cccc(NC(=O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000007457094 170285786 /nfs/dbraw/zinc/28/57/86/170285786.db2.gz ONOBVTVXTMHFCR-UHFFFAOYSA-N 1 1 298.386 2.808 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000007779718 170302119 /nfs/dbraw/zinc/30/21/19/170302119.db2.gz NSDVQEBVCVGQNL-UHFFFAOYSA-N 1 1 290.363 2.618 50 0 CFAAMO CC[NH+]1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000008671557 170344519 /nfs/dbraw/zinc/34/45/19/170344519.db2.gz FPABHTSDGVPKCF-UHFFFAOYSA-N 1 1 283.828 2.674 50 0 CFAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCc1ccccn1 ZINC000009157722 170365227 /nfs/dbraw/zinc/36/52/27/170365227.db2.gz JSIGJOFNIZIDRD-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCc1ccccn1 ZINC000009157722 170365228 /nfs/dbraw/zinc/36/52/28/170365228.db2.gz JSIGJOFNIZIDRD-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000020294373 171134428 /nfs/dbraw/zinc/13/44/28/171134428.db2.gz LWNDAQZDNQTWFT-KRWDZBQOSA-N 1 1 290.451 2.601 50 0 CFAAMO CCN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000020390123 171178780 /nfs/dbraw/zinc/17/87/80/171178780.db2.gz VXQKIXHOZCIRCH-UHFFFAOYSA-N 1 1 284.403 2.856 50 0 CFAAMO CC(C)=CCN1CC[N@@H+](CC2CCCCC2)C[C@@H]1CCO ZINC000020537268 171241131 /nfs/dbraw/zinc/24/11/31/171241131.db2.gz QPCWDXVXZUJVOD-SFHVURJKSA-N 1 1 294.483 2.902 50 0 CFAAMO CC(C)[C@H](CCN1CC[NH+](C)CC1)c1ccco1 ZINC000020590257 171260821 /nfs/dbraw/zinc/26/08/21/171260821.db2.gz BCVOUWPAEAWMBC-AWEZNQCLSA-N 1 1 250.386 2.657 50 0 CFAAMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000020877464 171277806 /nfs/dbraw/zinc/27/78/06/171277806.db2.gz KXKJUFSGQAJEKX-INWMFGNUSA-N 1 1 295.390 2.511 50 0 CFAAMO C[C@@H]([N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000027133159 171508815 /nfs/dbraw/zinc/50/88/15/171508815.db2.gz UBNWPGTZXAGMHN-LLVKDONJSA-N 1 1 273.380 2.790 50 0 CFAAMO Cc1ccc(Cl)cc1NC(=O)C[NH2+]Cc1ccco1 ZINC000035159724 172017455 /nfs/dbraw/zinc/01/74/55/172017455.db2.gz ALTCIQXFALLTRB-UHFFFAOYSA-N 1 1 278.739 2.970 50 0 CFAAMO COc1cccc(OC)c1C[NH2+]Cc1cccnc1C ZINC000657586458 413769411 /nfs/dbraw/zinc/76/94/11/413769411.db2.gz VZMJFZBZWLFXAZ-UHFFFAOYSA-N 1 1 272.348 2.697 50 0 CFAAMO CCOc1ccccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408275 173184700 /nfs/dbraw/zinc/18/47/00/173184700.db2.gz WIAWXSHDOYSPBN-CQSZACIVSA-N 1 1 274.408 2.659 50 0 CFAAMO CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000040067118 174186353 /nfs/dbraw/zinc/18/63/53/174186353.db2.gz RNNIJCPHFZNFKB-CYBMUJFWSA-N 1 1 266.772 2.613 50 0 CFAAMO CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000040067118 174186355 /nfs/dbraw/zinc/18/63/55/174186355.db2.gz RNNIJCPHFZNFKB-CYBMUJFWSA-N 1 1 266.772 2.613 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1 ZINC000040162166 174196884 /nfs/dbraw/zinc/19/68/84/174196884.db2.gz PFVAZPSSDKTTLW-SFHVURJKSA-N 1 1 298.430 2.996 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 ZINC000040162167 174196909 /nfs/dbraw/zinc/19/69/09/174196909.db2.gz PFVAZPSSDKTTLW-GOSISDBHSA-N 1 1 298.430 2.996 50 0 CFAAMO CC(C)c1nn(C)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000040667252 174367229 /nfs/dbraw/zinc/36/72/29/174367229.db2.gz HMOQWGXDCFVBLE-UHFFFAOYSA-N 1 1 287.363 2.562 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000044711944 175235794 /nfs/dbraw/zinc/23/57/94/175235794.db2.gz COLXRMGKEGDIFK-AAEUAGOBSA-N 1 1 261.369 2.959 50 0 CFAAMO C(c1nc(C2CC2)no1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000044711944 175235795 /nfs/dbraw/zinc/23/57/95/175235795.db2.gz COLXRMGKEGDIFK-AAEUAGOBSA-N 1 1 261.369 2.959 50 0 CFAAMO CC[N@@H+](CCC(=O)NC1CC1)Cc1ccc(Cl)s1 ZINC000045735713 175382867 /nfs/dbraw/zinc/38/28/67/175382867.db2.gz DLUVAAYRSIYZGE-UHFFFAOYSA-N 1 1 286.828 2.892 50 0 CFAAMO OCC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000046090682 175392877 /nfs/dbraw/zinc/39/28/77/175392877.db2.gz REZFOORFWGNCCM-UHFFFAOYSA-N 1 1 257.736 2.683 50 0 CFAAMO CCSc1ncc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000071523631 176194130 /nfs/dbraw/zinc/19/41/30/176194130.db2.gz XPYFCBVBHZWXNV-OKILXGFUSA-N 1 1 275.421 2.987 50 0 CFAAMO CC[C@@H]1C[N@@H+](CC2CC2)CCC(=O)N1Cc1ccccc1 ZINC000071681600 176245646 /nfs/dbraw/zinc/24/56/46/176245646.db2.gz PZEGBXZOBNKYSP-QGZVFWFLSA-N 1 1 286.419 2.910 50 0 CFAAMO CCCNc1ncc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000071748268 176258715 /nfs/dbraw/zinc/25/87/15/176258715.db2.gz YMQOIAQHXIPODP-GASCZTMLSA-N 1 1 272.396 2.697 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(c3ccccc3)CC2)C1 ZINC000071837415 176273960 /nfs/dbraw/zinc/27/39/60/176273960.db2.gz MJSIFMZTTCULHY-HNNXBMFYSA-N 1 1 286.419 2.565 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)oc1C ZINC000071876719 176285583 /nfs/dbraw/zinc/28/55/83/176285583.db2.gz QLEPONXATDPMBT-CQSZACIVSA-N 1 1 288.395 2.979 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)oc1C ZINC000071876719 176285584 /nfs/dbraw/zinc/28/55/84/176285584.db2.gz QLEPONXATDPMBT-CQSZACIVSA-N 1 1 288.395 2.979 50 0 CFAAMO c1ncn(C[C@H]2CCCC[N@@H+]2CCCc2ccccc2)n1 ZINC000071876297 176286041 /nfs/dbraw/zinc/28/60/41/176286041.db2.gz JEMSZOQXIWXDLA-QGZVFWFLSA-N 1 1 284.407 2.765 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000071880488 176287690 /nfs/dbraw/zinc/28/76/90/176287690.db2.gz GRVCQGMQKIEZQR-IRXDYDNUSA-N 1 1 290.382 2.801 50 0 CFAAMO OCC[N@@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000071907827 176296844 /nfs/dbraw/zinc/29/68/44/176296844.db2.gz BWDKFUHKEYTHNR-RTBURBONSA-N 1 1 297.398 2.702 50 0 CFAAMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCCO ZINC000071921065 176300354 /nfs/dbraw/zinc/30/03/54/176300354.db2.gz OERZQBYLBMNSHO-KRWDZBQOSA-N 1 1 290.451 2.745 50 0 CFAAMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCCO ZINC000071921065 176300355 /nfs/dbraw/zinc/30/03/55/176300355.db2.gz OERZQBYLBMNSHO-KRWDZBQOSA-N 1 1 290.451 2.745 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCCO ZINC000071921065 176300358 /nfs/dbraw/zinc/30/03/58/176300358.db2.gz OERZQBYLBMNSHO-KRWDZBQOSA-N 1 1 290.451 2.745 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000071921548 176300927 /nfs/dbraw/zinc/30/09/27/176300927.db2.gz RTAJWLIATTVDJQ-STQMWFEESA-N 1 1 282.428 2.974 50 0 CFAAMO COC(=O)c1n[nH]cc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000072122595 176320295 /nfs/dbraw/zinc/32/02/95/176320295.db2.gz HMPOLDTXRCVLNA-OAHLLOKOSA-N 1 1 299.374 2.706 50 0 CFAAMO COC(=O)c1n[nH]cc1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000072122595 176320296 /nfs/dbraw/zinc/32/02/96/176320296.db2.gz HMPOLDTXRCVLNA-OAHLLOKOSA-N 1 1 299.374 2.706 50 0 CFAAMO C[NH+]1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000072264653 176351900 /nfs/dbraw/zinc/35/19/00/176351900.db2.gz MOTRYZHTUCTCOB-UHFFFAOYSA-N 1 1 298.361 2.880 50 0 CFAAMO C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)CC1(CO)CC1 ZINC000072411559 176398927 /nfs/dbraw/zinc/39/89/27/176398927.db2.gz MEKVJNNKXITNAF-UHFFFAOYSA-N 1 1 291.435 2.594 50 0 CFAAMO Fc1ccccc1C[NH2+][C@H](Cn1cncn1)c1ccccc1 ZINC000077404641 177263379 /nfs/dbraw/zinc/26/33/79/177263379.db2.gz SQAOJASAFMVSNZ-QGZVFWFLSA-N 1 1 296.349 2.948 50 0 CFAAMO Cc1nc(C)n(CCn2cc[nH+]c2[C@@H]2CC=CCC2)n1 ZINC000077565823 177281194 /nfs/dbraw/zinc/28/11/94/177281194.db2.gz BKUZGWHCTCDJLK-CQSZACIVSA-N 1 1 271.368 2.615 50 0 CFAAMO Cc1n[nH]cc1CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000078552981 177353143 /nfs/dbraw/zinc/35/31/43/177353143.db2.gz UMFCHFGVXDEKTJ-WMLDXEAASA-N 1 1 284.407 2.643 50 0 CFAAMO Cc1n[nH]cc1CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000078552981 177353145 /nfs/dbraw/zinc/35/31/45/177353145.db2.gz UMFCHFGVXDEKTJ-WMLDXEAASA-N 1 1 284.407 2.643 50 0 CFAAMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCN2CCOC2=O)C1 ZINC000096441534 533688548 /nfs/dbraw/zinc/68/85/48/533688548.db2.gz JWIACOQJQILTOG-DOMZBBRYSA-N 1 1 292.354 2.661 50 0 CFAAMO COc1c(F)cccc1CN(C)C[C@H]1CCCC[N@H+]1C ZINC000215457011 274090075 /nfs/dbraw/zinc/09/00/75/274090075.db2.gz VWENFDZAHXIHJJ-CQSZACIVSA-N 1 1 280.387 2.750 50 0 CFAAMO O=C(c1ccoc1)N1CCC[N@@H+](C[C@@H]2CC=CCC2)CC1 ZINC000371412768 275014715 /nfs/dbraw/zinc/01/47/15/275014715.db2.gz XXULMRJVERPVCN-OAHLLOKOSA-N 1 1 288.391 2.784 50 0 CFAAMO Brc1ccc([C@H]2CN3CCSC3=[NH+]2)cc1 ZINC000000056495 275370064 /nfs/dbraw/zinc/37/00/64/275370064.db2.gz HTHGAIADRJRJOY-SNVBAGLBSA-N 1 1 283.194 2.909 50 0 in-vitro CFAAMO CC[N@H+]1CCCN(c2ncnc3c(C)csc32)CC1 ZINC000225456079 276165461 /nfs/dbraw/zinc/16/54/61/276165461.db2.gz ZAYUGBPUDSSVDP-UHFFFAOYSA-N 1 1 276.409 2.532 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000242156015 276267318 /nfs/dbraw/zinc/26/73/18/276267318.db2.gz WVBLTBAGBRACKT-VXGBXAGGSA-N 1 1 283.334 2.581 50 0 CFAAMO CCN(C(C)=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106132165 276301950 /nfs/dbraw/zinc/30/19/50/276301950.db2.gz AQJCTIIATUSJFQ-CZUORRHYSA-N 1 1 260.381 2.690 50 0 CFAAMO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C12CCC2 ZINC000095968522 276344267 /nfs/dbraw/zinc/34/42/67/276344267.db2.gz DOMCDIBRVQOPJM-IAGOWNOFSA-N 1 1 292.467 2.798 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CN2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564488 276368136 /nfs/dbraw/zinc/36/81/36/276368136.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 1 1 290.455 2.623 50 0 CFAAMO CC[N@@H+]1CCC[C@@H](CN2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564488 276368137 /nfs/dbraw/zinc/36/81/37/276368137.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 1 1 290.455 2.623 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CN2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564488 276368138 /nfs/dbraw/zinc/36/81/38/276368138.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 1 1 290.455 2.623 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000252507283 277222379 /nfs/dbraw/zinc/22/23/79/277222379.db2.gz WFYOYBGKKVSUOY-OLZOCXBDSA-N 1 1 284.469 2.509 50 0 CFAAMO CS[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC(C)C)CC1 ZINC000095968628 277528218 /nfs/dbraw/zinc/52/82/18/277528218.db2.gz CNTSAFSVTBXPHM-GJZGRUSLSA-N 1 1 270.486 2.981 50 0 CFAAMO Cc1cccc(N2CC[C@H](C)[C@H](n3ccnc3)C2)[nH+]1 ZINC000157994892 281229872 /nfs/dbraw/zinc/22/98/72/281229872.db2.gz HOWORNQVRLHNIS-GXTWGEPZSA-N 1 1 256.353 2.674 50 0 CFAAMO Cc1ccccc1[C@H](C(=O)N1CCC(F)(F)CC1)[NH+](C)C ZINC000095372125 292673313 /nfs/dbraw/zinc/67/33/13/292673313.db2.gz YMGTUWHURRLRLU-CQSZACIVSA-N 1 1 296.361 2.855 50 0 CFAAMO Fc1ccc(Br)cc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000036047747 294739821 /nfs/dbraw/zinc/73/98/21/294739821.db2.gz AHHBGBXRCZNNPO-LLVKDONJSA-N 1 1 296.143 2.546 50 0 CFAAMO C[C@@H](NC(=O)C[N@@H+](C)C1CCCC1)C1=CCCCC1 ZINC000827989716 782064062 /nfs/dbraw/zinc/06/40/62/782064062.db2.gz ZHIJNPPCMLEVMH-CYBMUJFWSA-N 1 1 264.413 2.866 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](Cc2cncn2C2CCCCC2)C1 ZINC000243957117 328042304 /nfs/dbraw/zinc/04/23/04/328042304.db2.gz CFZLCLKTHNMEAP-MRXNPFEDSA-N 1 1 277.412 2.999 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000177212950 323691064 /nfs/dbraw/zinc/69/10/64/323691064.db2.gz ZVLNYNHQQIBLCJ-QGZVFWFLSA-N 1 1 297.402 2.815 50 0 CFAAMO C[C@@H](C[N@H+]1CCOC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000170603050 533847686 /nfs/dbraw/zinc/84/76/86/533847686.db2.gz VAZCGGGCHQUDAI-AWEZNQCLSA-N 1 1 293.382 2.811 50 0 CFAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nccn1C ZINC000195515420 534112397 /nfs/dbraw/zinc/11/23/97/534112397.db2.gz XRWJUCOMPWDIPV-HNNXBMFYSA-N 1 1 285.391 2.636 50 0 CFAAMO CO[C@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000234891767 523997167 /nfs/dbraw/zinc/99/71/67/523997167.db2.gz BDSMUFWPXTXGLM-QMMMGPOBSA-N 1 1 276.199 2.731 50 0 CFAAMO CO[C@H]1CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000234891767 523997173 /nfs/dbraw/zinc/99/71/73/523997173.db2.gz BDSMUFWPXTXGLM-QMMMGPOBSA-N 1 1 276.199 2.731 50 0 CFAAMO CC(C)n1ncc2cc(C[N@@H+](C)[C@@H]3CCSC3)cnc21 ZINC000096485540 528663059 /nfs/dbraw/zinc/66/30/59/528663059.db2.gz UIJIGLYPRXKYCN-CQSZACIVSA-N 1 1 290.436 2.950 50 0 CFAAMO CCC[C@@H](C[N@H+](C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000096492742 528940439 /nfs/dbraw/zinc/94/04/39/528940439.db2.gz OAGMJIYLKKHOOL-JKSUJKDBSA-N 1 1 295.448 2.689 50 0 CFAAMO CCC[C@@H](C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000096492742 528940441 /nfs/dbraw/zinc/94/04/41/528940441.db2.gz OAGMJIYLKKHOOL-JKSUJKDBSA-N 1 1 295.448 2.689 50 0 CFAAMO CCCC[C@H]([NH2+]Cc1nccn1C)c1cccnc1 ZINC000952965648 614487622 /nfs/dbraw/zinc/48/76/22/614487622.db2.gz SPEMWYGVEWYMDH-AWEZNQCLSA-N 1 1 258.369 2.836 50 0 CFAAMO c1ccc2c(c1)OC1(CCCC1)C[C@H]2[NH2+]C1COC1 ZINC000287750436 617754979 /nfs/dbraw/zinc/75/49/79/617754979.db2.gz QFROIVKTRMMOML-CQSZACIVSA-N 1 1 259.349 2.811 50 0 CFAAMO C[C@@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078316 617962502 /nfs/dbraw/zinc/96/25/02/617962502.db2.gz CCKDFFOOFQYJFW-IAQYHMDHSA-N 1 1 266.335 2.633 50 0 CFAAMO CCC(CC)C[N@H+]1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000022913415 618019103 /nfs/dbraw/zinc/01/91/03/618019103.db2.gz LDUDWJHAXDFMOD-KRWDZBQOSA-N 1 1 284.488 2.837 50 0 CFAAMO CCC(CC)CN1CC[N@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000022913415 618019105 /nfs/dbraw/zinc/01/91/05/618019105.db2.gz LDUDWJHAXDFMOD-KRWDZBQOSA-N 1 1 284.488 2.837 50 0 CFAAMO CCC(CC)CN1CC[N@@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000022913415 618019108 /nfs/dbraw/zinc/01/91/08/618019108.db2.gz LDUDWJHAXDFMOD-KRWDZBQOSA-N 1 1 284.488 2.837 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000002498716 618172626 /nfs/dbraw/zinc/17/26/26/618172626.db2.gz VZOFCGUVUCUHGV-HOTGVXAUSA-N 1 1 278.440 2.923 50 0 CFAAMO CCOC(=O)N1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC000003683670 618686066 /nfs/dbraw/zinc/68/60/66/618686066.db2.gz YRIMJQITRNKRDT-UHFFFAOYSA-N 1 1 290.407 2.782 50 0 CFAAMO CCCOc1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000020639609 618806451 /nfs/dbraw/zinc/80/64/51/618806451.db2.gz XHGPZBOOKTXTAL-UHFFFAOYSA-N 1 1 279.380 2.577 50 0 CFAAMO Cc1nnc2n1CC[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000011969192 626223664 /nfs/dbraw/zinc/22/36/64/626223664.db2.gz XCBBSTUFQAZDBD-UHFFFAOYSA-N 1 1 284.407 2.768 50 0 CFAAMO Fc1cccc(OCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000194000577 650712423 /nfs/dbraw/zinc/71/24/23/650712423.db2.gz ZRWAGZXRTFPXTB-CYBMUJFWSA-N 1 1 289.354 2.807 50 0 CFAAMO COC[C@H](C)[N@H+](Cc1[nH]cnc1C)Cc1cccc(F)c1 ZINC000952984402 650791506 /nfs/dbraw/zinc/79/15/06/650791506.db2.gz UTSPMNRQBVBYCU-LBPRGKRZSA-N 1 1 291.370 2.894 50 0 CFAAMO COC[C@H](C)[N@@H+](Cc1[nH]cnc1C)Cc1cccc(F)c1 ZINC000952984402 650791511 /nfs/dbraw/zinc/79/15/11/650791511.db2.gz UTSPMNRQBVBYCU-LBPRGKRZSA-N 1 1 291.370 2.894 50 0 CFAAMO Clc1cncc(C[N@@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC000952995604 650793100 /nfs/dbraw/zinc/79/31/00/650793100.db2.gz RGRDJECIIABXNS-GFCCVEGCSA-N 1 1 274.755 2.515 50 0 CFAAMO Clc1cncc(C[N@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC000952995604 650793103 /nfs/dbraw/zinc/79/31/03/650793103.db2.gz RGRDJECIIABXNS-GFCCVEGCSA-N 1 1 274.755 2.515 50 0 CFAAMO Cc1ncnc(N2CCC[N@H+](C3CCCC3)CC2)c1C ZINC000091626410 650903967 /nfs/dbraw/zinc/90/39/67/650903967.db2.gz XLTQSXIZIALRKF-UHFFFAOYSA-N 1 1 274.412 2.548 50 0 CFAAMO Cc1cc(C[N@@H+](C)CCCc2[nH]nc3c2CCCC3)on1 ZINC000019144133 651287905 /nfs/dbraw/zinc/28/79/05/651287905.db2.gz JBUXHNPCBHKGMI-UHFFFAOYSA-N 1 1 288.395 2.650 50 0 CFAAMO Cc1cc(C[N@H+](C)CCCc2n[nH]c3c2CCCC3)on1 ZINC000019144133 651287907 /nfs/dbraw/zinc/28/79/07/651287907.db2.gz JBUXHNPCBHKGMI-UHFFFAOYSA-N 1 1 288.395 2.650 50 0 CFAAMO Cc1cc(C[N@@H+](C)CCCc2n[nH]c3c2CCCC3)on1 ZINC000019144133 651287909 /nfs/dbraw/zinc/28/79/09/651287909.db2.gz JBUXHNPCBHKGMI-UHFFFAOYSA-N 1 1 288.395 2.650 50 0 CFAAMO Cc1nc(CO[C@H]2CCC[N@H+](C3CCCCC3)C2)no1 ZINC000675015963 775983494 /nfs/dbraw/zinc/98/34/94/775983494.db2.gz BLKJKHXMFRVBBP-AWEZNQCLSA-N 1 1 279.384 2.692 50 0 CFAAMO C[C@H](c1ccc(-c2cccc(N)n2)cc1)[NH+]1CCOCC1 ZINC000032587179 779072215 /nfs/dbraw/zinc/07/22/15/779072215.db2.gz VWUFGBNEAFAAHF-CYBMUJFWSA-N 1 1 283.375 2.724 50 0 CFAAMO CC[C@@H](c1nc(-c2ccccc2)nn1CC)[NH+](C)C ZINC000822663318 781908097 /nfs/dbraw/zinc/90/80/97/781908097.db2.gz NUNPCHQMCLGTJY-ZDUSSCGKSA-N 1 1 258.369 2.978 50 0 CFAAMO CCn1cc(C[N@@H+](C)C[C@H]2CCOc3ccccc3C2)cn1 ZINC000095507595 185000785 /nfs/dbraw/zinc/00/07/85/185000785.db2.gz WGOJKEUJXFQTOL-HNNXBMFYSA-N 1 1 299.418 2.976 50 0 CFAAMO CC(C)=CCC[N@H+]1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000095526861 185003418 /nfs/dbraw/zinc/00/34/18/185003418.db2.gz OVJHNMGTJVVPJH-GOSISDBHSA-N 1 1 288.435 2.521 50 0 CFAAMO CC(C)=CCCN1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095526861 185003420 /nfs/dbraw/zinc/00/34/20/185003420.db2.gz OVJHNMGTJVVPJH-GOSISDBHSA-N 1 1 288.435 2.521 50 0 CFAAMO CC(C)=CCCN1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095526861 185003423 /nfs/dbraw/zinc/00/34/23/185003423.db2.gz OVJHNMGTJVVPJH-GOSISDBHSA-N 1 1 288.435 2.521 50 0 CFAAMO CN(C)c1nc(N(C)Cc2ccc(Cl)cc2)cc[nH+]1 ZINC000095960959 185043196 /nfs/dbraw/zinc/04/31/96/185043196.db2.gz DTAWQUYFMHQKMN-UHFFFAOYSA-N 1 1 276.771 2.832 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000095962982 185044346 /nfs/dbraw/zinc/04/43/46/185044346.db2.gz GIPWJFLHFQAPOF-CQSZACIVSA-N 1 1 264.388 2.989 50 0 CFAAMO C[C@H]([NH2+]Cc1ncnn1C)c1ccc(SC(F)F)cc1 ZINC000095968772 185048064 /nfs/dbraw/zinc/04/80/64/185048064.db2.gz ICAMKKLOEWGGKG-VIFPVBQESA-N 1 1 298.362 2.981 50 0 CFAAMO Cc1[nH+]ccn1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000095974638 185049863 /nfs/dbraw/zinc/04/98/63/185049863.db2.gz UAPKWAUTWOAWMD-GFCCVEGCSA-N 1 1 284.281 2.814 50 0 CFAAMO Cc1[nH+]ccn1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000095974634 185050003 /nfs/dbraw/zinc/05/00/03/185050003.db2.gz JUMWRQMGVSCGOQ-DOTOQJQBSA-N 1 1 286.375 2.647 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCSc1ccc(S(C)(=O)=O)cc1 ZINC000095975930 185050947 /nfs/dbraw/zinc/05/09/47/185050947.db2.gz GKAUAAVTEVPBJL-LBPRGKRZSA-N 1 1 299.461 2.667 50 0 CFAAMO CC(=O)N[C@@H]1CCC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000095982579 185053633 /nfs/dbraw/zinc/05/36/33/185053633.db2.gz COQNRXLDRBOVKO-GWKQRERASA-N 1 1 272.392 2.690 50 0 CFAAMO OC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000095982215 185053904 /nfs/dbraw/zinc/05/39/04/185053904.db2.gz QSEMUAZRKVBYIY-JTQLQIEISA-N 1 1 257.736 2.683 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000095982215 185053905 /nfs/dbraw/zinc/05/39/05/185053905.db2.gz QSEMUAZRKVBYIY-JTQLQIEISA-N 1 1 257.736 2.683 50 0 CFAAMO C[N@@H+](CCc1cccc2ccccc21)CC1OCCO1 ZINC000095992480 185058956 /nfs/dbraw/zinc/05/89/56/185058956.db2.gz LUHSVNVQYZWDFP-UHFFFAOYSA-N 1 1 271.360 2.687 50 0 CFAAMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002367 185061927 /nfs/dbraw/zinc/06/19/27/185061927.db2.gz NALGQDMSRZWWHE-GHMZBOCLSA-N 1 1 278.377 2.606 50 0 CFAAMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002367 185061929 /nfs/dbraw/zinc/06/19/29/185061929.db2.gz NALGQDMSRZWWHE-GHMZBOCLSA-N 1 1 278.377 2.606 50 0 CFAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccoc1 ZINC000823118780 781919818 /nfs/dbraw/zinc/91/98/18/781919818.db2.gz BYYKRVVHJXIWSV-KRWDZBQOSA-N 1 1 298.386 2.685 50 0 CFAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccoc1 ZINC000823118780 781919827 /nfs/dbraw/zinc/91/98/27/781919827.db2.gz BYYKRVVHJXIWSV-KRWDZBQOSA-N 1 1 298.386 2.685 50 0 CFAAMO CCc1nn(C)cc1C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000097033966 185157258 /nfs/dbraw/zinc/15/72/58/185157258.db2.gz ZBMXNGIZQNDQRO-CQSZACIVSA-N 1 1 299.418 2.981 50 0 CFAAMO CC1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000073987947 346988082 /nfs/dbraw/zinc/98/80/82/346988082.db2.gz BCWVSLNLXCNFTD-CVSAEHQPSA-N 1 1 264.413 2.508 50 0 CFAAMO Cc1cccc(NCc2nnc(C3CC3)n2C2CC2)[nH+]1 ZINC000127053283 187279618 /nfs/dbraw/zinc/27/96/18/187279618.db2.gz XZPOJJPVLUVFSM-UHFFFAOYSA-N 1 1 269.352 2.806 50 0 CFAAMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(F)c1 ZINC000075093969 347054631 /nfs/dbraw/zinc/05/46/31/347054631.db2.gz WRZXHUMGSHDMQQ-MZBDJJRSSA-N 1 1 279.355 2.582 50 0 CFAAMO Brc1cnc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC000071914530 539520530 /nfs/dbraw/zinc/52/05/30/539520530.db2.gz LTPGGHLNTSUPIP-UHFFFAOYSA-N 1 1 295.184 2.706 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)no1 ZINC000008126228 346222174 /nfs/dbraw/zinc/22/21/74/346222174.db2.gz KTFUUTCURLBXHR-HNNXBMFYSA-N 1 1 299.374 2.931 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)no1 ZINC000008126226 346222189 /nfs/dbraw/zinc/22/21/89/346222189.db2.gz KTFUUTCURLBXHR-OAHLLOKOSA-N 1 1 299.374 2.931 50 0 CFAAMO Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000016662660 346239408 /nfs/dbraw/zinc/23/94/08/346239408.db2.gz OUGCQCOEKJMKCI-UHFFFAOYSA-N 1 1 267.376 2.712 50 0 CFAAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078401 346248088 /nfs/dbraw/zinc/24/80/88/346248088.db2.gz HJBQVDKHMZTIHJ-NHYWBVRUSA-N 1 1 266.335 2.633 50 0 CFAAMO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000066565176 346768663 /nfs/dbraw/zinc/76/86/63/346768663.db2.gz SQZLGXOYWQNKCE-INIZCTEOSA-N 1 1 279.380 2.575 50 0 CFAAMO COCCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000076046896 347116089 /nfs/dbraw/zinc/11/60/89/347116089.db2.gz FGFPZRPQOKAKQS-LBPRGKRZSA-N 1 1 298.377 2.726 50 0 CFAAMO Cc1[nH+]ccn1CCCNc1cnc2ccccc2n1 ZINC000078333082 347241844 /nfs/dbraw/zinc/24/18/44/347241844.db2.gz ADTDILQKILSOIC-UHFFFAOYSA-N 1 1 267.336 2.637 50 0 CFAAMO Cc1cccc(CNC(=O)[C@H]2[C@@H]3C[N@@H+](C4CCCC4)C[C@@H]32)c1 ZINC000102663786 185786278 /nfs/dbraw/zinc/78/62/78/185786278.db2.gz LZENUEKTXHUYIS-PIIMJCKOSA-N 1 1 298.430 2.732 50 0 CFAAMO COc1ccc(CN[C@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000083877852 347455014 /nfs/dbraw/zinc/45/50/14/347455014.db2.gz UWDAGIAYGPSMFJ-LBPRGKRZSA-N 1 1 298.814 2.541 50 0 CFAAMO COc1ccc(CN[C@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000083877852 347455016 /nfs/dbraw/zinc/45/50/16/347455016.db2.gz UWDAGIAYGPSMFJ-LBPRGKRZSA-N 1 1 298.814 2.541 50 0 CFAAMO Clc1cnccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479865 347589249 /nfs/dbraw/zinc/58/92/49/347589249.db2.gz DZXWFNHMTIAXNV-JTQLQIEISA-N 1 1 262.744 2.842 50 0 CFAAMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)cc1F ZINC000095457655 347698207 /nfs/dbraw/zinc/69/82/07/347698207.db2.gz KDWYFUNTXYPQJE-UWVGGRQHSA-N 1 1 283.322 2.521 50 0 CFAAMO CC[N@H+](C)C(C)(C)C(=O)c1ccc(OC)c(OC)c1 ZINC000096027094 347700279 /nfs/dbraw/zinc/70/02/79/347700279.db2.gz BRDHLWBKKVRJIQ-UHFFFAOYSA-N 1 1 265.353 2.617 50 0 CFAAMO CC[N@@H+](C)C(C)(C)C(=O)c1ccc(OC)c(OC)c1 ZINC000096027094 347700282 /nfs/dbraw/zinc/70/02/82/347700282.db2.gz BRDHLWBKKVRJIQ-UHFFFAOYSA-N 1 1 265.353 2.617 50 0 CFAAMO Oc1ccc2c(c1)[C@]13CCCC[C@@H]1CC[N@@H+]3CCO2 ZINC000096027996 347700335 /nfs/dbraw/zinc/70/03/35/347700335.db2.gz QPFORCJJDFGHAV-WBMJQRKESA-N 1 1 259.349 2.876 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)c3ccncc3)C2)no1 ZINC000106910880 347733266 /nfs/dbraw/zinc/73/32/66/347733266.db2.gz BTCSETGEUFDXNL-BXUZGUMPSA-N 1 1 272.352 2.714 50 0 CFAAMO CC[N@@H+]1CC[C@@H](CNCc2ccc(OC)c(Cl)c2)C1 ZINC000086585493 179310271 /nfs/dbraw/zinc/31/02/71/179310271.db2.gz BDOJVAGKAPCIRE-ZDUSSCGKSA-N 1 1 282.815 2.780 50 0 CFAAMO CC[N@H+]1CC[C@@H](CNCc2ccc(OC)c(Cl)c2)C1 ZINC000086585493 179310274 /nfs/dbraw/zinc/31/02/74/179310274.db2.gz BDOJVAGKAPCIRE-ZDUSSCGKSA-N 1 1 282.815 2.780 50 0 CFAAMO C[C@H]([NH2+][C@@H]1CCSC1)c1nc(C2CCCC2)no1 ZINC000191589190 348138293 /nfs/dbraw/zinc/13/82/93/348138293.db2.gz HORABHSTMUVKRO-GXSJLCMTSA-N 1 1 267.398 2.883 50 0 CFAAMO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cn[nH]c1C ZINC000195565397 348146852 /nfs/dbraw/zinc/14/68/52/348146852.db2.gz ITIWHYFFLZQFGL-AWEZNQCLSA-N 1 1 285.391 2.936 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000229426603 348201885 /nfs/dbraw/zinc/20/18/85/348201885.db2.gz ZHIJIYHYIJUCJB-OAGGEKHMSA-N 1 1 276.424 2.818 50 0 CFAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000585141174 348736959 /nfs/dbraw/zinc/73/69/59/348736959.db2.gz QQGOSDIVRMIIEX-STQMWFEESA-N 1 1 295.452 2.660 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)CCc2ccsc2)C1 ZINC000091270332 180117853 /nfs/dbraw/zinc/11/78/53/180117853.db2.gz WBXPQWQRQWOFDG-CYBMUJFWSA-N 1 1 292.448 2.766 50 0 CFAAMO CNc1cc(C)[nH+]c(C[C@@H]2COc3ccccc3C2)n1 ZINC000091563340 180192679 /nfs/dbraw/zinc/19/26/79/180192679.db2.gz FZOVBIXKAPPATN-GFCCVEGCSA-N 1 1 269.348 2.621 50 0 CFAAMO Cc1c[nH+]c(N)nc1N1CC[C@@H](c2ccccc2F)C1 ZINC000091536092 180181984 /nfs/dbraw/zinc/18/19/84/180181984.db2.gz DDARQEABRYOIQL-LLVKDONJSA-N 1 1 272.327 2.500 50 0 CFAAMO Cc1n[nH]c(C)c1CCCNc1nc(C)[nH+]c(C)c1C ZINC000091664869 180220891 /nfs/dbraw/zinc/22/08/91/180220891.db2.gz RQTPAQKUHNVDHM-UHFFFAOYSA-N 1 1 273.384 2.787 50 0 CFAAMO CCc1nc(C)sc1C[N@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091779641 180251510 /nfs/dbraw/zinc/25/15/10/180251510.db2.gz WBWVLCQRAATWBM-HNNXBMFYSA-N 1 1 282.453 2.997 50 0 CFAAMO COCc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091855960 180274682 /nfs/dbraw/zinc/27/46/82/180274682.db2.gz BYCWYPMBQKYTDI-JKSUJKDBSA-N 1 1 293.432 2.539 50 0 CFAAMO Cc1ncc2c(n1)C[N@@H+](C/C=C\c1ccccc1)CC2 ZINC000106866368 186143377 /nfs/dbraw/zinc/14/33/77/186143377.db2.gz PLABJXAPKHZSGQ-YVMONPNESA-N 1 1 265.360 2.857 50 0 CFAAMO Cc1ncc2c(n1)C[N@H+](C/C=C\c1ccccc1)CC2 ZINC000106866368 186143379 /nfs/dbraw/zinc/14/33/79/186143379.db2.gz PLABJXAPKHZSGQ-YVMONPNESA-N 1 1 265.360 2.857 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000092471099 180392682 /nfs/dbraw/zinc/39/26/82/180392682.db2.gz KXAFVBUQVNOQEY-QGZVFWFLSA-N 1 1 298.386 2.617 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1OC ZINC000108327778 186210826 /nfs/dbraw/zinc/21/08/26/186210826.db2.gz FGJCFPQVYWOMOZ-DZGCQCFKSA-N 1 1 293.407 2.748 50 0 CFAAMO OCC[N@H+](Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000152332468 188010911 /nfs/dbraw/zinc/01/09/11/188010911.db2.gz BNPOPDBRGGTMGU-UHFFFAOYSA-N 1 1 276.767 2.730 50 0 CFAAMO OCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000152332468 188010913 /nfs/dbraw/zinc/01/09/13/188010913.db2.gz BNPOPDBRGGTMGU-UHFFFAOYSA-N 1 1 276.767 2.730 50 0 CFAAMO COc1cccc(OCC[N@@H+](C)CCC2CCOCC2)c1 ZINC000155494255 188210044 /nfs/dbraw/zinc/21/00/44/188210044.db2.gz PUGHOXGIZYVFCP-UHFFFAOYSA-N 1 1 293.407 2.823 50 0 CFAAMO CO[C@]12CC[N@@H+](Cc3ccc(Cl)cc3)[C@H]1C[C@@H](O)CC2 ZINC000299781384 540143722 /nfs/dbraw/zinc/14/37/22/540143722.db2.gz UXPSOPOBVNCTEA-HRCADAONSA-N 1 1 295.810 2.844 50 0 CFAAMO Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000248124870 540258742 /nfs/dbraw/zinc/25/87/42/540258742.db2.gz ZUAHEXVYJBMJTO-XSLAGTTESA-N 1 1 298.430 2.842 50 0 CFAAMO NC(=O)CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000071860667 283285346 /nfs/dbraw/zinc/28/53/46/283285346.db2.gz QYHPFGCLFCSRRE-INIZCTEOSA-N 1 1 286.400 2.571 50 0 CFAAMO C[N@@H+](CCC1(O)CCCC1)C[C@H]1CCOC(C)(C)C1 ZINC000823689955 781936536 /nfs/dbraw/zinc/93/65/36/781936536.db2.gz IARZFLNSLVPJCB-AWEZNQCLSA-N 1 1 269.429 2.819 50 0 CFAAMO Cc1cc(N[C@@H](CO)c2csc(C(C)C)n2)nc(C)[nH+]1 ZINC000585092200 540461740 /nfs/dbraw/zinc/46/17/40/540461740.db2.gz JFEXSIJQULIGIM-NSHDSACASA-N 1 1 292.408 2.819 50 0 CFAAMO Cc1cc(N[C@H](CO)c2csc(C(C)C)n2)nc(C)[nH+]1 ZINC000585092199 540461794 /nfs/dbraw/zinc/46/17/94/540461794.db2.gz JFEXSIJQULIGIM-LLVKDONJSA-N 1 1 292.408 2.819 50 0 CFAAMO CCOCc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000252484064 540745817 /nfs/dbraw/zinc/74/58/17/540745817.db2.gz FNJWJLRCEIWMIQ-IUODEOHRSA-N 1 1 276.380 2.502 50 0 CFAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+]1CCC(O)CC1 ZINC000012980277 540926102 /nfs/dbraw/zinc/92/61/02/540926102.db2.gz KPXBRRGXSJVESH-LBPRGKRZSA-N 1 1 286.375 2.504 50 0 CFAAMO Cc1ccc(F)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000180192695 189242575 /nfs/dbraw/zinc/24/25/75/189242575.db2.gz CGMMCIMMPRFOJT-GFCCVEGCSA-N 1 1 277.261 2.633 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000180192695 189242576 /nfs/dbraw/zinc/24/25/76/189242576.db2.gz CGMMCIMMPRFOJT-GFCCVEGCSA-N 1 1 277.261 2.633 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180285478 189248542 /nfs/dbraw/zinc/24/85/42/189248542.db2.gz ZLCDMMUNBFIZSD-CQSZACIVSA-N 1 1 288.370 2.638 50 0 CFAAMO Cc1cccc(Cl)c1OCC[N@H+]1CCC[C@H](O)CC1 ZINC000670443127 540996917 /nfs/dbraw/zinc/99/69/17/540996917.db2.gz PEKUDOBGJLFQFI-ZDUSSCGKSA-N 1 1 283.799 2.874 50 0 CFAAMO Cc1cccc(Cl)c1OCC[N@H+](C)CC1(C)COC1 ZINC000670445297 540997453 /nfs/dbraw/zinc/99/74/53/540997453.db2.gz QULLNFIYMKFUQW-UHFFFAOYSA-N 1 1 283.799 2.996 50 0 CFAAMO CCC[C@@]1(CO)CCC[N@@H+](CCCn2cccc2)C1 ZINC000670454389 541000134 /nfs/dbraw/zinc/00/01/34/541000134.db2.gz GRNQAJQJFDDPNQ-MRXNPFEDSA-N 1 1 264.413 2.753 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC000670452606 541000472 /nfs/dbraw/zinc/00/04/72/541000472.db2.gz OAIHAQSTWPFWME-ITGUQSILSA-N 1 1 271.364 2.705 50 0 CFAAMO c1cc([C@H]2CCC[N@@H+](C3CSCCSC3)C2)ncn1 ZINC000670462960 541004830 /nfs/dbraw/zinc/00/48/30/541004830.db2.gz NUEJMICUHZHJME-LBPRGKRZSA-N 1 1 295.477 2.505 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000823778687 781937565 /nfs/dbraw/zinc/93/75/65/781937565.db2.gz YIVLMYXWFGHEOY-CQSZACIVSA-N 1 1 264.413 2.654 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000216510192 189705356 /nfs/dbraw/zinc/70/53/56/189705356.db2.gz FPVLMXVJTXYFEX-ZDUSSCGKSA-N 1 1 275.352 2.614 50 0 CFAAMO C[C@@H](N[C@@H](C)c1cnccn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321669 296151965 /nfs/dbraw/zinc/15/19/65/296151965.db2.gz RMXAWDIIWJKAFG-VBQJREDUSA-N 1 1 284.407 2.819 50 0 CFAAMO Cc1cccc(N2CCC(NC(=O)[C@H]3CC=CCC3)CC2)[nH+]1 ZINC000116668994 376200772 /nfs/dbraw/zinc/20/07/72/376200772.db2.gz PKNLSMHZADBHGF-HNNXBMFYSA-N 1 1 299.418 2.831 50 0 CFAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2scc3c2CCCC3)C1 ZINC000000104174 371531362 /nfs/dbraw/zinc/53/13/62/371531362.db2.gz RHIXRBZSWUWWFN-CYBMUJFWSA-N 1 1 292.448 2.841 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000000212749 371559625 /nfs/dbraw/zinc/55/96/25/371559625.db2.gz FTPJMCBZZRURAT-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000000212749 371559626 /nfs/dbraw/zinc/55/96/26/371559626.db2.gz FTPJMCBZZRURAT-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000000236555 371564227 /nfs/dbraw/zinc/56/42/27/371564227.db2.gz IJNGKRXGASMSBI-OAHLLOKOSA-N 1 1 261.365 2.770 50 0 CFAAMO CCCN1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000000248238 371567719 /nfs/dbraw/zinc/56/77/19/371567719.db2.gz AIYRXRFTMFTKOD-UHFFFAOYSA-N 1 1 250.361 2.790 50 0 CFAAMO C[C@@H](O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)O ZINC000000278704 371576126 /nfs/dbraw/zinc/57/61/26/371576126.db2.gz XQRYACUWNGPPFZ-AOOOYVTPSA-N 1 1 292.206 2.557 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2OCC)C1 ZINC000000293834 371579338 /nfs/dbraw/zinc/57/93/38/371579338.db2.gz YXRQVCSWIFZRRC-HNNXBMFYSA-N 1 1 291.391 2.860 50 0 CFAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000000536176 371636541 /nfs/dbraw/zinc/63/65/41/371636541.db2.gz RXCBUEUYEMUWAK-GFCCVEGCSA-N 1 1 289.360 2.758 50 0 CFAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000000536176 371636545 /nfs/dbraw/zinc/63/65/45/371636545.db2.gz RXCBUEUYEMUWAK-GFCCVEGCSA-N 1 1 289.360 2.758 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000000757230 371647506 /nfs/dbraw/zinc/64/75/06/371647506.db2.gz GYCFFGIRUFLMHF-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000000757230 371647514 /nfs/dbraw/zinc/64/75/14/371647514.db2.gz GYCFFGIRUFLMHF-SNVBAGLBSA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000001593751 371684783 /nfs/dbraw/zinc/68/47/83/371684783.db2.gz ZOLSBNMKZYHYDL-QGZVFWFLSA-N 1 1 253.345 2.778 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000003564657 371810471 /nfs/dbraw/zinc/81/04/71/371810471.db2.gz GYFVKUMAGMSRMA-ZDUSSCGKSA-N 1 1 260.381 2.974 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000003865233 371820191 /nfs/dbraw/zinc/82/01/91/371820191.db2.gz MELSFIGZWVYXNU-GOEBONIOSA-N 1 1 277.408 2.775 50 0 CFAAMO COc1ccccc1C(=O)O[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000003901934 371824321 /nfs/dbraw/zinc/82/43/21/371824321.db2.gz KTZCSPSWFXRDPE-JMSVASOKSA-N 1 1 277.364 2.581 50 0 CFAAMO C[NH2+]C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000011888811 371933634 /nfs/dbraw/zinc/93/36/34/371933634.db2.gz UBQXDXFPOHBPAE-CQSZACIVSA-N 1 1 266.816 2.814 50 0 CFAAMO CSCC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012387227 371959137 /nfs/dbraw/zinc/95/91/37/371959137.db2.gz IVDMQOPPHOTIDM-CYBMUJFWSA-N 1 1 284.469 2.653 50 0 CFAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](C/C=C/C(C)C)C1 ZINC000012467096 371965027 /nfs/dbraw/zinc/96/50/27/371965027.db2.gz FVJKUTXXNMJBAM-DBWMJRBXSA-N 1 1 297.439 2.880 50 0 CFAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)c(C)o2)s1 ZINC000012571996 371976468 /nfs/dbraw/zinc/97/64/68/371976468.db2.gz KAQVMWRMUWUZML-LBPRGKRZSA-N 1 1 292.404 2.977 50 0 CFAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3CO)c(C)o2)s1 ZINC000012571996 371976476 /nfs/dbraw/zinc/97/64/76/371976476.db2.gz KAQVMWRMUWUZML-LBPRGKRZSA-N 1 1 292.404 2.977 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000013148566 372016427 /nfs/dbraw/zinc/01/64/27/372016427.db2.gz KXDGCQBVVILKGW-GXTWGEPZSA-N 1 1 283.799 2.954 50 0 CFAAMO CCOc1cccc(/C=C2/[C@H](O)C3CC[NH+]2CC3)c1OC ZINC000015017301 372078969 /nfs/dbraw/zinc/07/89/69/372078969.db2.gz YPFMQXBXNWJMIS-SYCZXOQXSA-N 1 1 289.375 2.521 50 0 CFAAMO Cc1cc(C)c(OCCC[NH+]2CCOCC2)c(C)c1 ZINC000019720939 372180767 /nfs/dbraw/zinc/18/07/67/372180767.db2.gz PJHQCSJFMXODSP-UHFFFAOYSA-N 1 1 263.381 2.713 50 0 CFAAMO CN(C)CC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000019606515 372176402 /nfs/dbraw/zinc/17/64/02/372176402.db2.gz CEAMXUSRHDVQBW-UHFFFAOYSA-N 1 1 260.303 2.699 50 0 CFAAMO CN(C)CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000019606515 372176410 /nfs/dbraw/zinc/17/64/10/372176410.db2.gz CEAMXUSRHDVQBW-UHFFFAOYSA-N 1 1 260.303 2.699 50 0 CFAAMO CC[N@H+](CCN(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000019636227 372178801 /nfs/dbraw/zinc/17/88/01/372178801.db2.gz YLJQMZZGVLFQCW-UHFFFAOYSA-N 1 1 289.467 2.535 50 0 CFAAMO CC[N@@H+](CCN(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000019636227 372178809 /nfs/dbraw/zinc/17/88/09/372178809.db2.gz YLJQMZZGVLFQCW-UHFFFAOYSA-N 1 1 289.467 2.535 50 0 CFAAMO Cc1ccc(Cl)c(OCCC[NH+]2CCOCC2)c1 ZINC000019770588 372184675 /nfs/dbraw/zinc/18/46/75/372184675.db2.gz JNAFTAVQVFJCNX-UHFFFAOYSA-N 1 1 269.772 2.750 50 0 CFAAMO c1cn(CC[C@H]2CCCC[N@H+]2Cc2[nH]nc3c2CCC3)cn1 ZINC000019792495 372187590 /nfs/dbraw/zinc/18/75/90/372187590.db2.gz HLAANPUVHKRVHS-CQSZACIVSA-N 1 1 299.422 2.540 50 0 CFAAMO C[NH+]1CCN([C@H]2c3ccccc3COc3ccccc32)CC1 ZINC000019801862 372189982 /nfs/dbraw/zinc/18/99/82/372189982.db2.gz JEVVLGHVJYXQPQ-IBGZPJMESA-N 1 1 294.398 2.916 50 0 CFAAMO CCN1CCN(C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000019888976 372203325 /nfs/dbraw/zinc/20/33/25/372203325.db2.gz YILRBLMNNNHMEW-SJLPKXTDSA-N 1 1 293.499 2.667 50 0 CFAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000022027861 372244743 /nfs/dbraw/zinc/24/47/43/372244743.db2.gz YRSRJTSAWRCXIO-UHFFFAOYSA-N 1 1 294.398 2.665 50 0 CFAAMO c1nc(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c[nH]1 ZINC000022918459 372248641 /nfs/dbraw/zinc/24/86/41/372248641.db2.gz PHWOIBWHLNICRZ-OAHLLOKOSA-N 1 1 276.428 2.544 50 0 CFAAMO c1ncc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)[nH]1 ZINC000022918459 372248644 /nfs/dbraw/zinc/24/86/44/372248644.db2.gz PHWOIBWHLNICRZ-OAHLLOKOSA-N 1 1 276.428 2.544 50 0 CFAAMO c1ncc(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)[nH]1 ZINC000022918459 372248646 /nfs/dbraw/zinc/24/86/46/372248646.db2.gz PHWOIBWHLNICRZ-OAHLLOKOSA-N 1 1 276.428 2.544 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(SC)cc1 ZINC000022935928 372249083 /nfs/dbraw/zinc/24/90/83/372249083.db2.gz JNQOWQSPUFWFHF-AWEZNQCLSA-N 1 1 264.438 2.982 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(SC)cc1 ZINC000022935928 372249090 /nfs/dbraw/zinc/24/90/90/372249090.db2.gz JNQOWQSPUFWFHF-AWEZNQCLSA-N 1 1 264.438 2.982 50 0 CFAAMO c1c[nH]c(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023409440 372257814 /nfs/dbraw/zinc/25/78/14/372257814.db2.gz IXRZUHFLPHVHAS-UHFFFAOYSA-N 1 1 269.392 2.769 50 0 CFAAMO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2)o1 ZINC000024548231 372277625 /nfs/dbraw/zinc/27/76/25/372277625.db2.gz SBQYPTFIKSFOMO-UHFFFAOYSA-N 1 1 259.305 2.698 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2)o1 ZINC000024548231 372277634 /nfs/dbraw/zinc/27/76/34/372277634.db2.gz SBQYPTFIKSFOMO-UHFFFAOYSA-N 1 1 259.305 2.698 50 0 CFAAMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)NCC[NH+](C)C ZINC000025763856 372307033 /nfs/dbraw/zinc/30/70/33/372307033.db2.gz YRYHZTDMVWWJPM-KBPBESRZSA-N 1 1 291.439 2.678 50 0 CFAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000025949806 372310025 /nfs/dbraw/zinc/31/00/25/372310025.db2.gz ZIZGAGKXFZKNOH-KRWDZBQOSA-N 1 1 295.386 2.727 50 0 CFAAMO Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000026314880 372316572 /nfs/dbraw/zinc/31/65/72/372316572.db2.gz TWXFOQQZTATYRO-LLVKDONJSA-N 1 1 299.403 2.883 50 0 CFAAMO C[C@@H]([N@@H+](C)Cc1cc(=O)n2ccccc2n1)C(C)(C)C ZINC000027135910 372335458 /nfs/dbraw/zinc/33/54/58/372335458.db2.gz JHSZWRDTJSJBSP-GFCCVEGCSA-N 1 1 273.380 2.561 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000029725694 372384450 /nfs/dbraw/zinc/38/44/50/372384450.db2.gz AVNRKEIEMXBCJH-NSHDSACASA-N 1 1 258.365 2.548 50 0 CFAAMO C[N@H+](CCCOc1ccccc1)[C@H](C(N)=O)c1ccccc1 ZINC000029854844 372387699 /nfs/dbraw/zinc/38/76/99/372387699.db2.gz UIBAHYZWKOPWLW-KRWDZBQOSA-N 1 1 298.386 2.614 50 0 CFAAMO C[N@@H+](CCCOc1ccccc1)[C@H](C(N)=O)c1ccccc1 ZINC000029854844 372387704 /nfs/dbraw/zinc/38/77/04/372387704.db2.gz UIBAHYZWKOPWLW-KRWDZBQOSA-N 1 1 298.386 2.614 50 0 CFAAMO C[N@H+]1CC[C@@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000032500606 372441565 /nfs/dbraw/zinc/44/15/65/372441565.db2.gz PNABFEJJPYBPHV-CQSZACIVSA-N 1 1 271.364 2.664 50 0 CFAAMO CCCN1CCC([N@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032541231 372443267 /nfs/dbraw/zinc/44/32/67/372443267.db2.gz INOMOGODLUVEJE-INIZCTEOSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCN1CCC([N@@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032541231 372443268 /nfs/dbraw/zinc/44/32/68/372443268.db2.gz INOMOGODLUVEJE-INIZCTEOSA-N 1 1 268.445 2.752 50 0 CFAAMO CC[N@H+]1CCC[C@@H](c2nnc3c(C(F)(F)F)cccn32)C1 ZINC000032561070 372445106 /nfs/dbraw/zinc/44/51/06/372445106.db2.gz KMHSCZZWZDNBJR-SNVBAGLBSA-N 1 1 298.312 2.947 50 0 CFAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)n2ccsc2n1 ZINC000033068885 372482783 /nfs/dbraw/zinc/48/27/83/372482783.db2.gz CRPKZAADZRWQPV-UHFFFAOYSA-N 1 1 299.399 2.778 50 0 CFAAMO Cc1ccc(COC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000035075005 372535138 /nfs/dbraw/zinc/53/51/38/372535138.db2.gz CTVNKDWSXDCUMW-JZXOWHBKSA-N 1 1 291.435 2.850 50 0 CFAAMO C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000036408778 372580970 /nfs/dbraw/zinc/58/09/70/372580970.db2.gz HAORNFIYIXZFPZ-NWDGAFQWSA-N 1 1 266.410 2.800 50 0 CFAAMO C[C@@H](CNC(=S)NCc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000036847510 372602805 /nfs/dbraw/zinc/60/28/05/372602805.db2.gz TUUOODZZSKLVRS-STQMWFEESA-N 1 1 295.452 2.507 50 0 CFAAMO Cc1noc(C)c1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000041106130 372814232 /nfs/dbraw/zinc/81/42/32/372814232.db2.gz ZKCBIELYKGQKOF-UHFFFAOYSA-N 1 1 285.391 2.922 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](CCn2c3ccccc3oc2=O)C1 ZINC000042145741 372877808 /nfs/dbraw/zinc/87/78/08/372877808.db2.gz OXBASCVPQQSIIY-CYBMUJFWSA-N 1 1 274.364 2.717 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)NC(C)(C)C ZINC000042302843 372904735 /nfs/dbraw/zinc/90/47/35/372904735.db2.gz FSFZGMQSBSHPIZ-WDEREUQCSA-N 1 1 266.360 2.780 50 0 CFAAMO CCc1ccc2ncn(CC[C@H]3CCCC[N@H+]3C)c(=O)c2c1 ZINC000042948920 372967782 /nfs/dbraw/zinc/96/77/82/372967782.db2.gz ZBHMKFXPOKPKDO-OAHLLOKOSA-N 1 1 299.418 2.833 50 0 CFAAMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc2cccnc21 ZINC000045785722 373032920 /nfs/dbraw/zinc/03/29/20/373032920.db2.gz KJJQPHAQWNARPC-OLZOCXBDSA-N 1 1 256.349 2.844 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000046877983 373065796 /nfs/dbraw/zinc/06/57/96/373065796.db2.gz FAFRATKLBMKXHJ-LLVKDONJSA-N 1 1 298.789 2.941 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000047496337 373098397 /nfs/dbraw/zinc/09/83/97/373098397.db2.gz WOKQVXXIKSLXMP-HNNXBMFYSA-N 1 1 290.338 2.828 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000047496337 373098399 /nfs/dbraw/zinc/09/83/99/373098399.db2.gz WOKQVXXIKSLXMP-HNNXBMFYSA-N 1 1 290.338 2.828 50 0 CFAAMO COCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000047751138 373115818 /nfs/dbraw/zinc/11/58/18/373115818.db2.gz HGEZPTJLDPZSEM-UHFFFAOYSA-N 1 1 264.188 2.589 50 0 CFAAMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](O)C2)c1C ZINC000048343696 373165222 /nfs/dbraw/zinc/16/52/22/373165222.db2.gz SFICLZHPYVZWMV-HNNXBMFYSA-N 1 1 275.392 2.771 50 0 CFAAMO c1cc2c(ncnc2N[C@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000048336868 373165288 /nfs/dbraw/zinc/16/52/88/373165288.db2.gz VPYOQVZCKRQYCW-NWDGAFQWSA-N 1 1 274.393 2.730 50 0 CFAAMO Cc1cc(N2CCO[C@@H](c3ccccc3)C2)nc(C)[nH+]1 ZINC000048433397 373180674 /nfs/dbraw/zinc/18/06/74/373180674.db2.gz PXQDEZUPAJFJDX-OAHLLOKOSA-N 1 1 269.348 2.671 50 0 CFAAMO c1csc(-c2noc(C3C[NH+](Cc4ccoc4)C3)n2)c1 ZINC000049484463 373304415 /nfs/dbraw/zinc/30/44/15/373304415.db2.gz KHEDMUVTCGFULQ-UHFFFAOYSA-N 1 1 287.344 2.991 50 0 CFAAMO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000051404533 373395184 /nfs/dbraw/zinc/39/51/84/373395184.db2.gz CVZJNEOLZPGNGH-SFHVURJKSA-N 1 1 299.414 2.909 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000054226571 373506030 /nfs/dbraw/zinc/50/60/30/373506030.db2.gz MTLOBGZEUWKBSA-PBHICJAKSA-N 1 1 295.386 2.647 50 0 CFAAMO CS[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223117 373507184 /nfs/dbraw/zinc/50/71/84/373507184.db2.gz ZPBLWIULTWRPQZ-GUTXKFCHSA-N 1 1 292.448 2.690 50 0 CFAAMO Cc1ccc(SCC[N@@H+](C)Cc2c[nH]cn2)cc1 ZINC000055036705 373534090 /nfs/dbraw/zinc/53/40/90/373534090.db2.gz RBLVNRWPWPDWRD-UHFFFAOYSA-N 1 1 261.394 2.942 50 0 CFAAMO Cc1ccc(SCC[N@H+](C)Cc2c[nH]cn2)cc1 ZINC000055036705 373534096 /nfs/dbraw/zinc/53/40/96/373534096.db2.gz RBLVNRWPWPDWRD-UHFFFAOYSA-N 1 1 261.394 2.942 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNc2cccc(F)n2)cn1 ZINC000057139657 373580064 /nfs/dbraw/zinc/58/00/64/373580064.db2.gz FPDGEEAZAMDFFX-UHFFFAOYSA-N 1 1 283.310 2.722 50 0 CFAAMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cccc(O)c1 ZINC000055107553 373541071 /nfs/dbraw/zinc/54/10/71/373541071.db2.gz HRDPWUJLUNWRLR-UHFFFAOYSA-N 1 1 273.380 2.784 50 0 CFAAMO Cc1cc(C[N@@H+](C)CCCOc2ccc(F)cc2)[nH]n1 ZINC000055281411 373546349 /nfs/dbraw/zinc/54/63/49/373546349.db2.gz KVSHWKDBANVMNI-UHFFFAOYSA-N 1 1 277.343 2.758 50 0 CFAAMO CCOC(=O)N1CC[NH+]([C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000055291817 373546852 /nfs/dbraw/zinc/54/68/52/373546852.db2.gz PYZLWGGDVXNDRX-ZDUSSCGKSA-N 1 1 294.370 2.531 50 0 CFAAMO COC(=O)CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000055386393 373550355 /nfs/dbraw/zinc/55/03/55/373550355.db2.gz FCMRSXJSJCWTEJ-UHFFFAOYSA-N 1 1 291.269 2.580 50 0 CFAAMO CC[N@@H+](CCNC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000058268347 373638367 /nfs/dbraw/zinc/63/83/67/373638367.db2.gz KKKDTSPJUJNIIE-UHFFFAOYSA-N 1 1 283.322 2.571 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]12)c1occc1-c1ccccc1 ZINC000058369319 373650773 /nfs/dbraw/zinc/65/07/73/373650773.db2.gz CIMMISOHPHCQOA-HZPDHXFCSA-N 1 1 296.370 2.913 50 0 CFAAMO CC[N@@H+](CCc1ccncc1)C[C@H](O)c1ccc(C)cc1 ZINC000062349837 373758609 /nfs/dbraw/zinc/75/86/09/373758609.db2.gz RVYAHYDQIZOPBB-SFHVURJKSA-N 1 1 284.403 2.988 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC000063710385 373813039 /nfs/dbraw/zinc/81/30/39/373813039.db2.gz BZUFMSXFXYEDPA-OAHLLOKOSA-N 1 1 292.398 2.605 50 0 CFAAMO Cc1ncc(C[N@H+]2CC=C(c3ccccc3)CC2)c(N)n1 ZINC000064460091 373823160 /nfs/dbraw/zinc/82/31/60/373823160.db2.gz KABDATZAOUSYES-UHFFFAOYSA-N 1 1 280.375 2.657 50 0 in-vitro CFAAMO Cc1ncc(C[N@@H+]2CC=C(c3ccccc3)CC2)c(N)n1 ZINC000064460091 373823168 /nfs/dbraw/zinc/82/31/68/373823168.db2.gz KABDATZAOUSYES-UHFFFAOYSA-N 1 1 280.375 2.657 50 0 in-vitro CFAAMO c1cnn(-c2ccc(CN3CCC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000064570683 373832142 /nfs/dbraw/zinc/83/21/42/373832142.db2.gz XAAAUQAQBBOJPX-SFHVURJKSA-N 1 1 296.418 2.542 50 0 CFAAMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000065566455 373889919 /nfs/dbraw/zinc/88/99/19/373889919.db2.gz OBJGQKDFHUGAFB-NWDGAFQWSA-N 1 1 294.361 2.956 50 0 CFAAMO CCc1[nH+]ccn1-c1ccc(CNC(=O)c2ccco2)cc1 ZINC000065201788 373849224 /nfs/dbraw/zinc/84/92/24/373849224.db2.gz MJFIQKARCXBOGP-UHFFFAOYSA-N 1 1 295.342 2.958 50 0 CFAAMO CCn1cnnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000065287811 373853415 /nfs/dbraw/zinc/85/34/15/373853415.db2.gz DGISDRUXYFRNKC-ZDUSSCGKSA-N 1 1 262.401 2.810 50 0 CFAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065371793 373858653 /nfs/dbraw/zinc/85/86/53/373858653.db2.gz KELDDCWUZOXMRE-AWEZNQCLSA-N 1 1 293.374 2.855 50 0 CFAAMO O=C1CCCN1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065393731 373864930 /nfs/dbraw/zinc/86/49/30/373864930.db2.gz DUHZSUYMXZBYSH-INIZCTEOSA-N 1 1 272.392 2.521 50 0 CFAAMO Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1ccc(CO)o1 ZINC000065408415 373868264 /nfs/dbraw/zinc/86/82/64/373868264.db2.gz NCAUHPLWAQDLGM-ZDUSSCGKSA-N 1 1 274.364 2.538 50 0 CFAAMO COc1ccc(C(C)C)cc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000065417597 373868883 /nfs/dbraw/zinc/86/88/83/373868883.db2.gz DATRQLKIKYPVNK-OAHLLOKOSA-N 1 1 271.364 2.777 50 0 CFAAMO Cc1csc([C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000065478956 373877187 /nfs/dbraw/zinc/87/71/87/373877187.db2.gz ULUOVWMHBJFNCM-CYBMUJFWSA-N 1 1 296.436 2.520 50 0 CFAAMO Cc1csc([C@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000065478956 373877192 /nfs/dbraw/zinc/87/71/92/373877192.db2.gz ULUOVWMHBJFNCM-CYBMUJFWSA-N 1 1 296.436 2.520 50 0 CFAAMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000065962063 373906701 /nfs/dbraw/zinc/90/67/01/373906701.db2.gz GNOOCJVMEQNCRO-LBPRGKRZSA-N 1 1 282.815 2.933 50 0 CFAAMO c1nc2c([nH]1)[C@H](c1ccc(Oc3ccccc3)nc1)[NH2+]CC2 ZINC000067713436 373994397 /nfs/dbraw/zinc/99/43/97/373994397.db2.gz QENROQOJFFTOBN-INIZCTEOSA-N 1 1 292.342 2.832 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000067754803 373998425 /nfs/dbraw/zinc/99/84/25/373998425.db2.gz RLKJTWOUNDOAFN-MRHLJLSQSA-N 1 1 252.402 2.581 50 0 CFAAMO C[N@@H+](CCCn1cccn1)Cc1ccc2cccc(O)c2n1 ZINC000067804680 374003983 /nfs/dbraw/zinc/00/39/83/374003983.db2.gz OZFDMZPEVFBZKQ-UHFFFAOYSA-N 1 1 296.374 2.659 50 0 CFAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cnn2cccnc12 ZINC000067868124 374011441 /nfs/dbraw/zinc/01/14/41/374011441.db2.gz AYWGWJVQSMZISL-LLVKDONJSA-N 1 1 272.377 2.984 50 0 CFAAMO CC(C)C[NH+]1CCC(NC[C@H](C)Oc2cccnc2)CC1 ZINC000067975270 374017590 /nfs/dbraw/zinc/01/75/90/374017590.db2.gz UTMDCNHXFCRCAK-HNNXBMFYSA-N 1 1 291.439 2.559 50 0 CFAAMO C/C(=C\c1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000067489599 373981194 /nfs/dbraw/zinc/98/11/94/373981194.db2.gz MKSJZDQMAGVAKO-KPJVXMDVSA-N 1 1 284.403 2.785 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CC[C@@H](CNC(=O)c2occc2C)C1 ZINC000067587313 373985658 /nfs/dbraw/zinc/98/56/58/373985658.db2.gz PLSDIMNUWXPBBU-WQPBDQAGSA-N 1 1 290.407 2.996 50 0 CFAAMO CC(C)(C)c1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)[nH]n1 ZINC000067641417 373987347 /nfs/dbraw/zinc/98/73/47/373987347.db2.gz RGQHJGUFPXSRRV-GUYCJALGSA-N 1 1 291.439 2.834 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ncc[nH]2)C1 ZINC000067668330 373989806 /nfs/dbraw/zinc/98/98/06/373989806.db2.gz BANFEIXULWZFHD-OAHLLOKOSA-N 1 1 298.434 2.931 50 0 CFAAMO CCCc1nc(N2CCC[C@H](c3cc[nH]n3)C2)cc(C)[nH+]1 ZINC000067688531 373992013 /nfs/dbraw/zinc/99/20/13/373992013.db2.gz OETCZACPJJRAST-ZDUSSCGKSA-N 1 1 285.395 2.845 50 0 CFAAMO CCC1=NO[C@@H](CNCc2nc3ccc(C)c(C)c3[nH]2)C1 ZINC000067713597 373993841 /nfs/dbraw/zinc/99/38/41/373993841.db2.gz RIPGGGAQJIDESC-CYBMUJFWSA-N 1 1 286.379 2.824 50 0 CFAAMO CCC1=NO[C@@H](C[NH2+]Cc2nc3c(ccc(C)c3C)[nH]2)C1 ZINC000067713597 373993845 /nfs/dbraw/zinc/99/38/45/373993845.db2.gz RIPGGGAQJIDESC-CYBMUJFWSA-N 1 1 286.379 2.824 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000069599063 374078088 /nfs/dbraw/zinc/07/80/88/374078088.db2.gz YMQDHCHTEKPRHO-GJZGRUSLSA-N 1 1 276.355 2.525 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC000069659271 374083274 /nfs/dbraw/zinc/08/32/74/374083274.db2.gz NXHJCRHOEQIQJR-CABCVRRESA-N 1 1 264.413 2.652 50 0 CFAAMO Cc1[nH+]cn(CC(=O)Nc2cc(Cl)ccc2F)c1C ZINC000069415219 374059481 /nfs/dbraw/zinc/05/94/81/374059481.db2.gz VFTXDCAQVLOYLR-UHFFFAOYSA-N 1 1 281.718 2.931 50 0 CFAAMO c1cnn(C[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000069419300 374061251 /nfs/dbraw/zinc/06/12/51/374061251.db2.gz GIAPJSAHAOPKTH-WMZOPIPTSA-N 1 1 297.402 2.662 50 0 CFAAMO c1cnn(C[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000069419302 374061412 /nfs/dbraw/zinc/06/14/12/374061412.db2.gz GIAPJSAHAOPKTH-FUHWJXTLSA-N 1 1 297.402 2.662 50 0 CFAAMO CONC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000069435042 374063230 /nfs/dbraw/zinc/06/32/30/374063230.db2.gz AFLBXSLNLWQTHC-UHFFFAOYSA-N 1 1 284.359 2.610 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000069491725 374067989 /nfs/dbraw/zinc/06/79/89/374067989.db2.gz MDALECPGBHVTDH-STQMWFEESA-N 1 1 293.436 2.540 50 0 CFAAMO CCCN1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000069530402 374072772 /nfs/dbraw/zinc/07/27/72/374072772.db2.gz DPYQWWYWHYYSIU-UHFFFAOYSA-N 1 1 290.451 2.663 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069571154 374075089 /nfs/dbraw/zinc/07/50/89/374075089.db2.gz SBPSTKIOKIZLLH-SJORKVTESA-N 1 1 297.402 2.867 50 0 CFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000069900199 374109898 /nfs/dbraw/zinc/10/98/98/374109898.db2.gz HRVGXGANKXJONU-LBPRGKRZSA-N 1 1 292.770 2.650 50 0 CFAAMO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)o1 ZINC000069947412 374111886 /nfs/dbraw/zinc/11/18/86/374111886.db2.gz DJYKDAHIOUDLNY-CYBMUJFWSA-N 1 1 288.395 2.833 50 0 CFAAMO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]2Cn2cccn2)o1 ZINC000069947412 374111893 /nfs/dbraw/zinc/11/18/93/374111893.db2.gz DJYKDAHIOUDLNY-CYBMUJFWSA-N 1 1 288.395 2.833 50 0 CFAAMO Cc1cnn(CC[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000070005036 374114303 /nfs/dbraw/zinc/11/43/03/374114303.db2.gz UWOAGTOBEJWRJQ-CYBMUJFWSA-N 1 1 297.362 2.592 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000069809009 374098007 /nfs/dbraw/zinc/09/80/07/374098007.db2.gz IQYCNIHVXOMEAC-UHFFFAOYSA-N 1 1 284.762 2.647 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C[C@H](C)O1 ZINC000072428790 374251346 /nfs/dbraw/zinc/25/13/46/374251346.db2.gz CYZKAWAUBLWHPO-GASCZTMLSA-N 1 1 291.435 2.999 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)no1 ZINC000072300381 374244609 /nfs/dbraw/zinc/24/46/09/374244609.db2.gz CRFHPEOASGHZSK-GFCCVEGCSA-N 1 1 292.770 2.806 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)no1 ZINC000072300381 374244613 /nfs/dbraw/zinc/24/46/13/374244613.db2.gz CRFHPEOASGHZSK-GFCCVEGCSA-N 1 1 292.770 2.806 50 0 CFAAMO Cn1cc(CCC[N@@H+](C[C@H](O)c2ccccc2)C2CC2)cn1 ZINC000075140792 374461019 /nfs/dbraw/zinc/46/10/19/374461019.db2.gz RQUHCZHDBSGSCB-SFHVURJKSA-N 1 1 299.418 2.551 50 0 CFAAMO CC(C)c1ncc2c(n1)C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC000075133571 374461111 /nfs/dbraw/zinc/46/11/11/374461111.db2.gz DVVLLPORTAPZEL-CQSZACIVSA-N 1 1 275.396 2.527 50 0 CFAAMO CC(C)c1ncc2c(n1)C[N@H+](C[C@H]1CCCCO1)CC2 ZINC000075133571 374461117 /nfs/dbraw/zinc/46/11/17/374461117.db2.gz DVVLLPORTAPZEL-CQSZACIVSA-N 1 1 275.396 2.527 50 0 CFAAMO Cc1csc(N2CCCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000075138560 374461486 /nfs/dbraw/zinc/46/14/86/374461486.db2.gz YFMNXPKDRDVLPQ-UHFFFAOYSA-N 1 1 288.420 2.872 50 0 CFAAMO FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000076059615 374526495 /nfs/dbraw/zinc/52/64/95/374526495.db2.gz MLBKTSAPALICLV-SECBINFHSA-N 1 1 299.300 2.531 50 0 CFAAMO FC(F)(F)c1cc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000076059615 374526499 /nfs/dbraw/zinc/52/64/99/374526499.db2.gz MLBKTSAPALICLV-SECBINFHSA-N 1 1 299.300 2.531 50 0 CFAAMO Cc1nnc([C@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000076049000 374525432 /nfs/dbraw/zinc/52/54/32/374525432.db2.gz RBKXOLYSNQHGPO-HZPDHXFCSA-N 1 1 298.390 2.564 50 0 CFAAMO Cc1nnc([C@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000076049000 374525437 /nfs/dbraw/zinc/52/54/37/374525437.db2.gz RBKXOLYSNQHGPO-HZPDHXFCSA-N 1 1 298.390 2.564 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)[nH]n1 ZINC000078901092 374572875 /nfs/dbraw/zinc/57/28/75/374572875.db2.gz PEMWUDUHIGUEDP-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)n[nH]1 ZINC000078901092 374572885 /nfs/dbraw/zinc/57/28/85/374572885.db2.gz PEMWUDUHIGUEDP-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)n[nH]1 ZINC000078901092 374572894 /nfs/dbraw/zinc/57/28/94/374572894.db2.gz PEMWUDUHIGUEDP-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000084615236 374783390 /nfs/dbraw/zinc/78/33/90/374783390.db2.gz BPZXEFRJVIZNSD-IAGOWNOFSA-N 1 1 291.439 2.679 50 0 CFAAMO C[C@H]1CC[N@H+](CCCS(C)(=O)=O)[C@@H]1c1cccc(F)c1 ZINC000084697782 374786912 /nfs/dbraw/zinc/78/69/12/374786912.db2.gz BVNNASCLUFZTHB-WFASDCNBSA-N 1 1 299.411 2.643 50 0 CFAAMO C[C@H]1CC[N@@H+](CCCS(C)(=O)=O)[C@@H]1c1cccc(F)c1 ZINC000084697782 374786918 /nfs/dbraw/zinc/78/69/18/374786918.db2.gz BVNNASCLUFZTHB-WFASDCNBSA-N 1 1 299.411 2.643 50 0 CFAAMO COCC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089414129 374901772 /nfs/dbraw/zinc/90/17/72/374901772.db2.gz CPSHEBLSJFEOOB-UHFFFAOYSA-N 1 1 256.349 2.903 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1C ZINC000089266718 374893349 /nfs/dbraw/zinc/89/33/49/374893349.db2.gz SZIOYUUQRMSDON-AVGNSLFASA-N 1 1 295.379 2.528 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@H]2c2nc([C@@H]3CCOC3)no2)cc1 ZINC000089647471 374933097 /nfs/dbraw/zinc/93/30/97/374933097.db2.gz TZYNOGGWGYHJTN-CABCVRRESA-N 1 1 299.374 2.911 50 0 CFAAMO c1ccc(C[N@H+]2CCC[C@H]2c2nc([C@@H]3CCOC3)no2)cc1 ZINC000089647471 374933106 /nfs/dbraw/zinc/93/31/06/374933106.db2.gz TZYNOGGWGYHJTN-CABCVRRESA-N 1 1 299.374 2.911 50 0 CFAAMO CCOCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000089986969 374982058 /nfs/dbraw/zinc/98/20/58/374982058.db2.gz RCLUCUFEBNXVQR-UHFFFAOYSA-N 1 1 271.364 2.689 50 0 CFAAMO Brc1cncc(C[NH+]2CCCCC2)c1 ZINC000090413474 375013444 /nfs/dbraw/zinc/01/34/44/375013444.db2.gz ZFVCJTZTBBYGPO-UHFFFAOYSA-N 1 1 255.159 2.830 50 0 CFAAMO Cc1nc(N)cc(N2CCc3c(Cl)cccc3C2)[nH+]1 ZINC000092046260 375083371 /nfs/dbraw/zinc/08/33/71/375083371.db2.gz RSIAQIWGRJGBCY-UHFFFAOYSA-N 1 1 274.755 2.583 50 0 CFAAMO Cc1ccccc1N1CCC([N@@H+]2C[C@H](N)[C@@H](C3CC3)C2)CC1 ZINC000091593152 375053686 /nfs/dbraw/zinc/05/36/86/375053686.db2.gz SVMAZJRJXHOCRC-MSOLQXFVSA-N 1 1 299.462 2.633 50 0 CFAAMO Cc1ccccc1N1CCC([N@H+]2C[C@H](N)[C@@H](C3CC3)C2)CC1 ZINC000091593152 375053694 /nfs/dbraw/zinc/05/36/94/375053694.db2.gz SVMAZJRJXHOCRC-MSOLQXFVSA-N 1 1 299.462 2.633 50 0 CFAAMO NC(=O)CC[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000092660453 375137247 /nfs/dbraw/zinc/13/72/47/375137247.db2.gz ZCCXGUJHQOOWDA-BQTXGFLSSA-N 1 1 290.382 2.816 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)F ZINC000092868948 375165636 /nfs/dbraw/zinc/16/56/36/375165636.db2.gz XVZOSEDNRRRQIS-AWEZNQCLSA-N 1 1 292.398 2.858 50 0 CFAAMO C[C@@H]1C[C@H](N(C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643705 375280473 /nfs/dbraw/zinc/28/04/73/375280473.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643705 375280476 /nfs/dbraw/zinc/28/04/76/375280476.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643705 375280479 /nfs/dbraw/zinc/28/04/79/375280479.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 1 1 268.351 2.879 50 0 CFAAMO Cc1ncc(C[N@@H+](C)C[C@H]2CCOC2)n1-c1ccccc1 ZINC000093840000 375320870 /nfs/dbraw/zinc/32/08/70/375320870.db2.gz HRGDNIINBHVTOU-OAHLLOKOSA-N 1 1 285.391 2.649 50 0 CFAAMO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)CCO1 ZINC000095465778 375458764 /nfs/dbraw/zinc/45/87/64/375458764.db2.gz LEFDNDKZSCZHMX-HUUCEWRRSA-N 1 1 265.401 2.792 50 0 CFAAMO Cc1nn(C)c2nc(NCC[C@H]3CCCC[N@H+]3C)sc12 ZINC000095501072 375460687 /nfs/dbraw/zinc/46/06/87/375460687.db2.gz GHJQTAMNOKJFCJ-LLVKDONJSA-N 1 1 293.440 2.625 50 0 CFAAMO c1ccc(-c2nc3c([nH]2)C[N@@H+]([C@@H]2CCSC2)CC3)cc1 ZINC000095497058 375461462 /nfs/dbraw/zinc/46/14/62/375461462.db2.gz CQCSBGVYGIPZFU-CYBMUJFWSA-N 1 1 285.416 2.940 50 0 CFAAMO CCCCCC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000095400253 375431312 /nfs/dbraw/zinc/43/13/12/375431312.db2.gz IPRCEKJNGAMYOE-UHFFFAOYSA-N 1 1 277.412 2.743 50 0 CFAAMO CCOC(=O)CCCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000095399811 375432002 /nfs/dbraw/zinc/43/20/02/375432002.db2.gz RGYVDJATBTYIOR-ZDUSSCGKSA-N 1 1 265.353 2.802 50 0 CFAAMO C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCCOC1 ZINC000095404856 375433493 /nfs/dbraw/zinc/43/34/93/375433493.db2.gz QOVWZOCXJDHEOM-HNNXBMFYSA-N 1 1 275.392 2.522 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccnc(C(C)(C)C)n1 ZINC000095407816 375434533 /nfs/dbraw/zinc/43/45/33/375434533.db2.gz GKYPXPCAMNNWKL-CQSZACIVSA-N 1 1 299.422 2.948 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N[C@H]1C=CCCC1 ZINC000095411208 375436382 /nfs/dbraw/zinc/43/63/82/375436382.db2.gz CKTMNZSQFZMRHW-AWEZNQCLSA-N 1 1 267.417 2.515 50 0 CFAAMO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nnc2n1CCC2 ZINC000095419881 375440500 /nfs/dbraw/zinc/44/05/00/375440500.db2.gz KSVLQZGQZVHKBQ-ZDUSSCGKSA-N 1 1 288.782 2.655 50 0 CFAAMO CCN1CCC([N@@H+](C)Cc2cccc(COC)c2)CC1 ZINC000095432395 375446590 /nfs/dbraw/zinc/44/65/90/375446590.db2.gz MMGPWBYWGHBZMQ-UHFFFAOYSA-N 1 1 276.424 2.749 50 0 CFAAMO CC[NH+]1CCC(N(C)Cc2cccc(COC)c2)CC1 ZINC000095432395 375446593 /nfs/dbraw/zinc/44/65/93/375446593.db2.gz MMGPWBYWGHBZMQ-UHFFFAOYSA-N 1 1 276.424 2.749 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]CC1(c2ccccc2)CCC1 ZINC000097159242 375531539 /nfs/dbraw/zinc/53/15/39/375531539.db2.gz BUXMGGQJNFSQGH-UHFFFAOYSA-N 1 1 255.365 2.930 50 0 CFAAMO Cc1n[nH]cc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000097159177 375532285 /nfs/dbraw/zinc/53/22/85/375532285.db2.gz DQPORTNPTCOLQY-UHFFFAOYSA-N 1 1 298.434 2.994 50 0 CFAAMO Cc1n[nH]cc1C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000097159475 375533007 /nfs/dbraw/zinc/53/30/07/375533007.db2.gz STRDYPBHGKBHAU-QGZVFWFLSA-N 1 1 284.407 2.645 50 0 CFAAMO C[N@@H+](CCc1ccncc1)C[C@H](O)c1c(F)cccc1F ZINC000097051131 375504486 /nfs/dbraw/zinc/50/44/86/375504486.db2.gz YCNTVJULCGETJM-HNNXBMFYSA-N 1 1 292.329 2.568 50 0 CFAAMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139134 375527685 /nfs/dbraw/zinc/52/76/85/375527685.db2.gz RSAMZGGDQUVMAY-TZMCWYRMSA-N 1 1 277.364 2.742 50 0 CFAAMO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCC3(C2)OCCO3)o1 ZINC000097139134 375527688 /nfs/dbraw/zinc/52/76/88/375527688.db2.gz RSAMZGGDQUVMAY-TZMCWYRMSA-N 1 1 277.364 2.742 50 0 CFAAMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000098069130 375598318 /nfs/dbraw/zinc/59/83/18/375598318.db2.gz QPZMDXBDSCZYFI-CQSZACIVSA-N 1 1 292.398 2.905 50 0 CFAAMO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000098069130 375598321 /nfs/dbraw/zinc/59/83/21/375598321.db2.gz QPZMDXBDSCZYFI-CQSZACIVSA-N 1 1 292.398 2.905 50 0 CFAAMO CC(C)CC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000097493247 375566972 /nfs/dbraw/zinc/56/69/72/375566972.db2.gz FLWXBXTYKZUMMX-CQSZACIVSA-N 1 1 254.418 2.755 50 0 CFAAMO Cc1n[nH]c(C[N@H+]2CCC[C@](CO)(CC(C)C)C2)c1Cl ZINC000097660477 375577129 /nfs/dbraw/zinc/57/71/29/375577129.db2.gz GKKWMIPCNBPFQQ-HNNXBMFYSA-N 1 1 299.846 2.992 50 0 CFAAMO Cc1n[nH]c(C[N@@H+]2CCC[C@](CO)(CC(C)C)C2)c1Cl ZINC000097660477 375577135 /nfs/dbraw/zinc/57/71/35/375577135.db2.gz GKKWMIPCNBPFQQ-HNNXBMFYSA-N 1 1 299.846 2.992 50 0 CFAAMO c1ccc2[nH]c(C[N@H+]3CCCC4(CCOCC4)C3)nc2c1 ZINC000097694769 375579244 /nfs/dbraw/zinc/57/92/44/375579244.db2.gz QXJXUPREMNZHKA-UHFFFAOYSA-N 1 1 285.391 2.956 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000100019233 375611855 /nfs/dbraw/zinc/61/18/55/375611855.db2.gz ZNRGQMMCGHDTEI-ITGUQSILSA-N 1 1 284.359 2.950 50 0 world CFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000106524268 375798824 /nfs/dbraw/zinc/79/88/24/375798824.db2.gz SWXQSJBSIVRICS-DYVFJYSZSA-N 1 1 286.419 2.911 50 0 CFAAMO COC(=O)CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000116389532 376184852 /nfs/dbraw/zinc/18/48/52/376184852.db2.gz SLDYWVHOPKYJBD-NSHDSACASA-N 1 1 268.382 2.623 50 0 CFAAMO COC(=O)CCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000116389532 376184855 /nfs/dbraw/zinc/18/48/55/376184855.db2.gz SLDYWVHOPKYJBD-NSHDSACASA-N 1 1 268.382 2.623 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CCCO ZINC000129166207 377394808 /nfs/dbraw/zinc/39/48/08/377394808.db2.gz YDNTWOZFBUTTTN-HNNXBMFYSA-N 1 1 251.345 2.871 50 0 CFAAMO CC(=O)Nc1nc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000132576019 377855064 /nfs/dbraw/zinc/85/50/64/377855064.db2.gz LAWZDABZYIZRFF-NSHDSACASA-N 1 1 297.424 2.537 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](CCc2ccccc2)[C@@H](C)[C@@H]1C ZINC000169712917 379108925 /nfs/dbraw/zinc/10/89/25/379108925.db2.gz YNNDIBSJMPQCKB-GRDNDAEWSA-N 1 1 275.392 2.891 50 0 CFAAMO C[C@@H]([NH2+]Cc1ncnn1C)c1ccc(C(F)(F)F)cc1 ZINC000170606436 379127413 /nfs/dbraw/zinc/12/74/13/379127413.db2.gz OCFWPDMGLPAPKD-SECBINFHSA-N 1 1 284.285 2.685 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1noc(C(C)(C)C)n1 ZINC000170615808 379130913 /nfs/dbraw/zinc/13/09/13/379130913.db2.gz UYIZRQHZASFRNQ-GFCCVEGCSA-N 1 1 289.383 2.541 50 0 CFAAMO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000170639690 379132360 /nfs/dbraw/zinc/13/23/60/379132360.db2.gz BLBNAZJJUPUYML-GFCCVEGCSA-N 1 1 268.401 2.728 50 0 CFAAMO CN(C(=O)C[N@H+]1CCC2(CCCC2)C1)c1ccccc1 ZINC000174268721 379855353 /nfs/dbraw/zinc/85/53/53/379855353.db2.gz OYJZPXMCXLXZGD-UHFFFAOYSA-N 1 1 272.392 2.916 50 0 CFAAMO CCOCC[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000408521239 380938012 /nfs/dbraw/zinc/93/80/12/380938012.db2.gz NBWFDDAQLJFCJX-UHFFFAOYSA-N 1 1 278.327 2.949 50 0 CFAAMO CCOCC[N@@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000408521239 380938021 /nfs/dbraw/zinc/93/80/21/380938021.db2.gz NBWFDDAQLJFCJX-UHFFFAOYSA-N 1 1 278.327 2.949 50 0 CFAAMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)c1ccccc1 ZINC000182404975 381084139 /nfs/dbraw/zinc/08/41/39/381084139.db2.gz VRIKBHQGLZJQFN-KRWDZBQOSA-N 1 1 297.402 2.929 50 0 CFAAMO CCCn1cc(C[N@H+](C)[C@H](C)c2cccnc2)cn1 ZINC000183727548 381311155 /nfs/dbraw/zinc/31/11/55/381311155.db2.gz KTTFMOICEOUPCL-CYBMUJFWSA-N 1 1 258.369 2.881 50 0 CFAAMO CCCn1cc(C[N@@H+](C)[C@H](C)c2cccnc2)cn1 ZINC000183727548 381311163 /nfs/dbraw/zinc/31/11/63/381311163.db2.gz KTTFMOICEOUPCL-CYBMUJFWSA-N 1 1 258.369 2.881 50 0 CFAAMO CCn1nccc1C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000185677583 381701360 /nfs/dbraw/zinc/70/13/60/381701360.db2.gz JRVQEXNSISNPRF-OAHLLOKOSA-N 1 1 289.379 2.980 50 0 CFAAMO CCn1nccc1C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000185677583 381701368 /nfs/dbraw/zinc/70/13/68/381701368.db2.gz JRVQEXNSISNPRF-OAHLLOKOSA-N 1 1 289.379 2.980 50 0 CFAAMO CC[N@H+]1CCOc2ccc([C@@H](O)CC(C)C)cc2C1 ZINC000299759365 382044703 /nfs/dbraw/zinc/04/47/03/382044703.db2.gz GQZRWWMJMIUQQD-HNNXBMFYSA-N 1 1 263.381 2.980 50 0 CFAAMO Cc1cc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000299776897 382046517 /nfs/dbraw/zinc/04/65/17/382046517.db2.gz MXLAOFVNAKKHPE-AWEZNQCLSA-N 1 1 291.370 2.836 50 0 CFAAMO CC(C)N1CC[NH+](CCCSc2ccccn2)CC1 ZINC000188211549 382368939 /nfs/dbraw/zinc/36/89/39/382368939.db2.gz AWPIDLWLPMRDTP-UHFFFAOYSA-N 1 1 279.453 2.590 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)o1 ZINC000188411275 382409644 /nfs/dbraw/zinc/40/96/44/382409644.db2.gz LXWRFQGWSZLAHJ-CYBMUJFWSA-N 1 1 259.353 2.703 50 0 CFAAMO COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)o1 ZINC000328596048 382552089 /nfs/dbraw/zinc/55/20/89/382552089.db2.gz POITZLWPEFUURS-AEJSXWLSSA-N 1 1 285.290 2.714 50 0 CFAAMO COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)o1 ZINC000328596048 382552093 /nfs/dbraw/zinc/55/20/93/382552093.db2.gz POITZLWPEFUURS-AEJSXWLSSA-N 1 1 285.290 2.714 50 0 CFAAMO CC[N@H+]1CCC[C@H](c2nccn2-c2ccc3c[nH]nc3c2)C1 ZINC000071762339 184575148 /nfs/dbraw/zinc/57/51/48/184575148.db2.gz ZJFOTERVNAXQGN-AWEZNQCLSA-N 1 1 295.390 2.948 50 0 CFAAMO FC(F)COCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000189533368 382620768 /nfs/dbraw/zinc/62/07/68/382620768.db2.gz DFNTVXLDZGQFEA-MNOVXSKESA-N 1 1 265.369 2.628 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccc([S@](C)=O)cc2)C[C@H](C)S1 ZINC000195548087 382769693 /nfs/dbraw/zinc/76/96/93/382769693.db2.gz UOWZZLSSSRINAO-IUUKEHGRSA-N 1 1 283.462 2.750 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccc([S@](C)=O)cc2)C[C@H](C)S1 ZINC000195548087 382769696 /nfs/dbraw/zinc/76/96/96/382769696.db2.gz UOWZZLSSSRINAO-IUUKEHGRSA-N 1 1 283.462 2.750 50 0 CFAAMO Cc1[nH+]ccn1C1CN(C(=O)CCCc2ccccc2)C1 ZINC000575551854 382773790 /nfs/dbraw/zinc/77/37/90/382773790.db2.gz UZTQBNKYDDRNFY-UHFFFAOYSA-N 1 1 283.375 2.598 50 0 CFAAMO CCCc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)o1 ZINC000215053859 382777559 /nfs/dbraw/zinc/77/75/59/382777559.db2.gz UKZSHHSAYUDAIU-MRXNPFEDSA-N 1 1 292.379 2.649 50 0 CFAAMO CCCc1ccc(C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)o1 ZINC000215053859 382777563 /nfs/dbraw/zinc/77/75/63/382777563.db2.gz UKZSHHSAYUDAIU-MRXNPFEDSA-N 1 1 292.379 2.649 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1coc2ccccc12 ZINC000215662876 382779894 /nfs/dbraw/zinc/77/98/94/382779894.db2.gz PIYIGCLXJVGERK-GFCCVEGCSA-N 1 1 272.348 2.647 50 0 CFAAMO Cc1cccc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000215618223 382779944 /nfs/dbraw/zinc/77/99/44/382779944.db2.gz VTXDCMFQXRPPMT-SFHVURJKSA-N 1 1 281.403 2.879 50 0 CFAAMO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)n1 ZINC000215618223 382779946 /nfs/dbraw/zinc/77/99/46/382779946.db2.gz VTXDCMFQXRPPMT-SFHVURJKSA-N 1 1 281.403 2.879 50 0 CFAAMO Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)n1 ZINC000215618223 382779948 /nfs/dbraw/zinc/77/99/48/382779948.db2.gz VTXDCMFQXRPPMT-SFHVURJKSA-N 1 1 281.403 2.879 50 0 CFAAMO C[N@H+](Cc1cccc(Cn2cccn2)c1)C[C@@H]1CCCCO1 ZINC000215837950 382780874 /nfs/dbraw/zinc/78/08/74/382780874.db2.gz AUNWCZOBLPYJPI-SFHVURJKSA-N 1 1 299.418 2.932 50 0 CFAAMO COC[C@@H]1CC[N@@H+](C/C=C/c2ccc(OC)cc2)C1 ZINC000216198574 382782706 /nfs/dbraw/zinc/78/27/06/382782706.db2.gz AEZAIKLJAIYQAU-NHZBNJEXSA-N 1 1 261.365 2.677 50 0 CFAAMO CCc1nccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)n1 ZINC000216389639 382783197 /nfs/dbraw/zinc/78/31/97/382783197.db2.gz OMIGUTPPTGZYHL-CQSZACIVSA-N 1 1 286.379 2.981 50 0 CFAAMO CCc1nccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)n1 ZINC000216389639 382783198 /nfs/dbraw/zinc/78/31/98/382783198.db2.gz OMIGUTPPTGZYHL-CQSZACIVSA-N 1 1 286.379 2.981 50 0 CFAAMO c1nc(C[NH+]2CCC(c3ccncc3)CC2)cs1 ZINC000216500862 382783737 /nfs/dbraw/zinc/78/37/37/382783737.db2.gz QCZQPZLPQBZUDL-UHFFFAOYSA-N 1 1 259.378 2.918 50 0 CFAAMO CC[C@@]1(C)CCC[N@H+](Cc2nccn2CCOC)C1 ZINC000216473904 382783768 /nfs/dbraw/zinc/78/37/68/382783768.db2.gz WOIAFUUTKCZPIM-HNNXBMFYSA-N 1 1 265.401 2.542 50 0 CFAAMO CC[C@@]1(C)CCC[N@@H+](Cc2nccn2CCOC)C1 ZINC000216473904 382783770 /nfs/dbraw/zinc/78/37/70/382783770.db2.gz WOIAFUUTKCZPIM-HNNXBMFYSA-N 1 1 265.401 2.542 50 0 CFAAMO CC[N@H+]1CC[C@H](Nc2ccccc2COC)[C@@H](C)C1 ZINC000221870999 382799903 /nfs/dbraw/zinc/79/99/03/382799903.db2.gz ISVQEAFERUVLQD-ZFWWWQNUSA-N 1 1 262.397 2.975 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)NCCc1ccc(C)s1 ZINC000222666107 382803145 /nfs/dbraw/zinc/80/31/45/382803145.db2.gz UZIMPLULBIDEJG-UHFFFAOYSA-N 1 1 291.420 2.564 50 0 CFAAMO Cc1nn(C)c(Cl)c1CN(C)CC[N@@H+]1CCCC[C@H]1C ZINC000230144221 382856384 /nfs/dbraw/zinc/85/63/84/382856384.db2.gz BEQHSTBHQXESEZ-GFCCVEGCSA-N 1 1 298.862 2.688 50 0 CFAAMO Cc1ccnc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000230147721 382856414 /nfs/dbraw/zinc/85/64/14/382856414.db2.gz JQWKXKGWVNWQGV-HOTGVXAUSA-N 1 1 295.386 2.674 50 0 CFAAMO C[C@H](CC[N@H+](C)[C@H](C)C[S@](C)=O)c1ccccc1 ZINC000230200849 382857020 /nfs/dbraw/zinc/85/70/20/382857020.db2.gz FRANEKMOHVLMRS-LBTNJELSSA-N 1 1 267.438 2.879 50 0 CFAAMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCn2ccnc2)c1 ZINC000241316692 382983347 /nfs/dbraw/zinc/98/33/47/382983347.db2.gz LUBNCXLQDUSJGG-WMLDXEAASA-N 1 1 285.391 2.975 50 0 CFAAMO CN(CC[N@H+]1C[C@H]2CC[C@@H]1C2)Cc1ccc(F)cc1 ZINC000244633246 382988916 /nfs/dbraw/zinc/98/89/16/382988916.db2.gz FZSKBHLJBAMENB-GOEBONIOSA-N 1 1 262.372 2.742 50 0 CFAAMO CC[N@@H+](Cc1csc(C)n1)C[C@H]1CCCCO1 ZINC000244633254 382989398 /nfs/dbraw/zinc/98/93/98/382989398.db2.gz FZUSWGUTXSEFIY-CYBMUJFWSA-N 1 1 254.399 2.843 50 0 CFAAMO CC[N@H+](Cc1csc(C)n1)C[C@H]1CCCCO1 ZINC000244633254 382989402 /nfs/dbraw/zinc/98/94/02/382989402.db2.gz FZUSWGUTXSEFIY-CYBMUJFWSA-N 1 1 254.399 2.843 50 0 CFAAMO COc1ccc2c(c1)[C@@H](C)[N@H+](CCn1nccc1C)CC2 ZINC000244673868 382989785 /nfs/dbraw/zinc/98/97/85/382989785.db2.gz HXAYEJLKDOATQH-CQSZACIVSA-N 1 1 285.391 2.819 50 0 CFAAMO CC[N@@H+](Cc1cc(OC)ccn1)[C@@H]1CCOC(C)(C)C1 ZINC000244718674 382990761 /nfs/dbraw/zinc/99/07/61/382990761.db2.gz LOUTTYDXYZIUBP-CQSZACIVSA-N 1 1 278.396 2.870 50 0 CFAAMO Cc1noc([C@@H]2CCCC[N@@H+]2CCc2ccccn2)n1 ZINC000244734300 382991086 /nfs/dbraw/zinc/99/10/86/382991086.db2.gz NDANVDHSAHXIOM-AWEZNQCLSA-N 1 1 272.352 2.543 50 0 CFAAMO Cc1noc([C@@H]2CCCC[N@H+]2CCc2ccccn2)n1 ZINC000244734300 382991090 /nfs/dbraw/zinc/99/10/90/382991090.db2.gz NDANVDHSAHXIOM-AWEZNQCLSA-N 1 1 272.352 2.543 50 0 CFAAMO C[N@@H+]1CCC[C@@H]1CN1CCC(OCc2ccccc2)CC1 ZINC000244840258 382993000 /nfs/dbraw/zinc/99/30/00/382993000.db2.gz UJYJTDBDMDXKLZ-QGZVFWFLSA-N 1 1 288.435 2.762 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CN1CCC(OCc2ccccc2)CC1 ZINC000244840258 382993005 /nfs/dbraw/zinc/99/30/05/382993005.db2.gz UJYJTDBDMDXKLZ-QGZVFWFLSA-N 1 1 288.435 2.762 50 0 CFAAMO c1ccc(CO[C@@H]2CCC[N@H+](C3CCSCC3)C2)nc1 ZINC000244852798 382993481 /nfs/dbraw/zinc/99/34/81/382993481.db2.gz UZEWATHUHSMVBV-MRXNPFEDSA-N 1 1 292.448 2.958 50 0 CFAAMO COc1ccccc1C[C@H](C)[N@@H+](C)CCc1cn[nH]c1 ZINC000244900012 382995581 /nfs/dbraw/zinc/99/55/81/382995581.db2.gz ZUJAKBWPILTSCC-ZDUSSCGKSA-N 1 1 273.380 2.524 50 0 CFAAMO C[N@H+](C/C=C/c1ccccc1)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000245338675 382997764 /nfs/dbraw/zinc/99/77/64/382997764.db2.gz NTOUULSBZFSECU-XKQHDHNFSA-N 1 1 293.432 2.597 50 0 CFAAMO C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000245338675 382997766 /nfs/dbraw/zinc/99/77/66/382997766.db2.gz NTOUULSBZFSECU-XKQHDHNFSA-N 1 1 293.432 2.597 50 0 CFAAMO Fc1cccc(C[N@H+]2CCC[C@H](n3ccnn3)CC2)c1 ZINC000585116171 383115015 /nfs/dbraw/zinc/11/50/15/383115015.db2.gz JQMWZGLGKQYROF-HNNXBMFYSA-N 1 1 274.343 2.644 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc21 ZINC000248116699 383211955 /nfs/dbraw/zinc/21/19/55/383211955.db2.gz IWAAEBDXSPBRLY-KSZLIROESA-N 1 1 298.430 2.802 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000248159014 383215995 /nfs/dbraw/zinc/21/59/95/383215995.db2.gz WSNYOBKLCDTYEX-LSDHHAIUSA-N 1 1 264.413 2.652 50 0 CFAAMO C[C@H](CC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000249031037 383319205 /nfs/dbraw/zinc/31/92/05/383319205.db2.gz RDHRJKZXSBQHAD-RBSFLKMASA-N 1 1 297.464 2.934 50 0 CFAAMO CNc1nc(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)cs1 ZINC000252501670 383415409 /nfs/dbraw/zinc/41/54/09/383415409.db2.gz UHOFCKSMMNZJFX-GFCCVEGCSA-N 1 1 290.436 2.951 50 0 CFAAMO CNc1nc(C[N@@H+](C)[C@H](C)Cc2cc(C)ccn2)cs1 ZINC000252501670 383415413 /nfs/dbraw/zinc/41/54/13/383415413.db2.gz UHOFCKSMMNZJFX-GFCCVEGCSA-N 1 1 290.436 2.951 50 0 CFAAMO COCCC1(C[N@@H+](C)[C@H]2CCOC2)CCCCC1 ZINC000252501725 383415428 /nfs/dbraw/zinc/41/54/28/383415428.db2.gz UIOIJGOMBKYYGW-AWEZNQCLSA-N 1 1 255.402 2.694 50 0 CFAAMO COCc1n[nH]c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426436562 383400589 /nfs/dbraw/zinc/40/05/89/383400589.db2.gz OABKWCBUEPBNIO-LBPRGKRZSA-N 1 1 286.379 2.775 50 0 CFAAMO C[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1cnc[nH]1 ZINC000426541657 383405046 /nfs/dbraw/zinc/40/50/46/383405046.db2.gz UWGQCPXYJUAHKL-LLVKDONJSA-N 1 1 292.427 2.534 50 0 CFAAMO FC(F)Oc1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252467646 383410038 /nfs/dbraw/zinc/41/00/38/383410038.db2.gz XPWQYSMVJADMTH-AWEZNQCLSA-N 1 1 296.361 2.958 50 0 CFAAMO Cc1nc(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cs1 ZINC000252489618 383413022 /nfs/dbraw/zinc/41/30/22/383413022.db2.gz JUVPONZZZFLMCX-NSHDSACASA-N 1 1 265.426 2.510 50 0 CFAAMO CCn1nccc1CC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000253419806 383457444 /nfs/dbraw/zinc/45/74/44/383457444.db2.gz CXAOHTOHMZDYMS-GJZGRUSLSA-N 1 1 279.453 2.806 50 0 CFAAMO C[N@@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](c2ccccc2)C1 ZINC000255279633 383479087 /nfs/dbraw/zinc/47/90/87/383479087.db2.gz WFOVYQVABSOZLJ-WBVHZDCISA-N 1 1 284.403 2.858 50 0 CFAAMO C[N@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](c2ccccc2)C1 ZINC000255279633 383479091 /nfs/dbraw/zinc/47/90/91/383479091.db2.gz WFOVYQVABSOZLJ-WBVHZDCISA-N 1 1 284.403 2.858 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)C(C)C)C2)n1C1CC1 ZINC000257176740 383489562 /nfs/dbraw/zinc/48/95/62/383489562.db2.gz DBSNRTFCXIJBKB-ZDUSSCGKSA-N 1 1 275.396 2.573 50 0 CFAAMO Cc1c[nH+]c(CC[C@H]2CCCN2C(=O)C(C)(C)C)n1C ZINC000257175447 383489873 /nfs/dbraw/zinc/48/98/73/383489873.db2.gz PEKZLVVPELUMEQ-CYBMUJFWSA-N 1 1 277.412 2.698 50 0 CFAAMO Cc1c(C[N@@H+](C)CCCOCc2ccccc2)cnn1C ZINC000279796908 384766006 /nfs/dbraw/zinc/76/60/06/384766006.db2.gz OUCZXUCYKDLDRS-UHFFFAOYSA-N 1 1 287.407 2.767 50 0 CFAAMO C[N@@H+]([C@@H](CC(N)=O)c1ccccc1)[C@H]1C=CCCC1 ZINC000280246318 384941987 /nfs/dbraw/zinc/94/19/87/384941987.db2.gz BFOLBTPTFZXOJN-GJZGRUSLSA-N 1 1 258.365 2.644 50 0 CFAAMO C[N@@H+]([C@H](CC(N)=O)c1ccccc1)[C@@H]1C=CCCC1 ZINC000280246320 384942117 /nfs/dbraw/zinc/94/21/17/384942117.db2.gz BFOLBTPTFZXOJN-HUUCEWRRSA-N 1 1 258.365 2.644 50 0 CFAAMO CCC[N@H+]1CCC[C@@H](CNc2ncc(CC)cn2)C1 ZINC000095368032 184955369 /nfs/dbraw/zinc/95/53/69/184955369.db2.gz PXFILULMWDLJIJ-AWEZNQCLSA-N 1 1 262.401 2.573 50 0 CFAAMO CCNC(=O)C[NH2+][C@@H](CC)c1ccccc1Br ZINC000095419405 184975241 /nfs/dbraw/zinc/97/52/41/184975241.db2.gz PKIWQITWDGRNJZ-LBPRGKRZSA-N 1 1 299.212 2.626 50 0 CFAAMO C[N@@H+](Cc1nnc(-c2ccco2)o1)C1CCSCC1 ZINC000243892400 131083032 /nfs/dbraw/zinc/08/30/32/131083032.db2.gz AHUKLJFXBJIECB-UHFFFAOYSA-N 1 1 279.365 2.657 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)no1 ZINC000007587544 393466340 /nfs/dbraw/zinc/46/63/40/393466340.db2.gz GCZRYGRNJSGZAR-OLZOCXBDSA-N 1 1 277.368 2.576 50 0 CFAAMO CCOC(=O)[C@H]1CC2(CCCCC2)[N@H+]2CCC[C@@H]12 ZINC000014987483 393479229 /nfs/dbraw/zinc/47/92/29/393479229.db2.gz DUXGYQFYWPNKJS-STQMWFEESA-N 1 1 251.370 2.737 50 0 CFAAMO Cc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000046344830 393577947 /nfs/dbraw/zinc/57/79/47/393577947.db2.gz LJEUSUPNPMLNNP-QGZVFWFLSA-N 1 1 285.387 2.867 50 0 CFAAMO Cc1cc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)on1 ZINC000075132323 393669946 /nfs/dbraw/zinc/66/99/46/393669946.db2.gz TZTUOLOBJYWXRH-AWEZNQCLSA-N 1 1 274.368 2.670 50 0 CFAAMO c1cc(C2CC[NH+](CCCc3cccnc3)CC2)[nH]n1 ZINC000240228137 393797972 /nfs/dbraw/zinc/79/79/72/393797972.db2.gz KGPVOUJDCGOKOH-UHFFFAOYSA-N 1 1 270.380 2.617 50 0 CFAAMO COCC[N@@H+](C)Cc1ccccc1-n1nc(C)cc1C ZINC000243932265 393798827 /nfs/dbraw/zinc/79/88/27/393798827.db2.gz BTWWULXIOQXTRI-UHFFFAOYSA-N 1 1 273.380 2.567 50 0 CFAAMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095999944 393814465 /nfs/dbraw/zinc/81/44/65/393814465.db2.gz FAXLANMYWHKUMS-OAHLLOKOSA-N 1 1 298.390 2.748 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)NCc1ccccc1OC1CCC1 ZINC000096411277 393823767 /nfs/dbraw/zinc/82/37/67/393823767.db2.gz RDJJUDXCDMZKQJ-UHFFFAOYSA-N 1 1 290.407 2.574 50 0 CFAAMO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCCS(C)(=O)=O)o1 ZINC000096415001 393826218 /nfs/dbraw/zinc/82/62/18/393826218.db2.gz RTDVKHLDJMBIHJ-AWEZNQCLSA-N 1 1 299.436 2.940 50 0 CFAAMO Cc1ccc([C@@H]2CCCCC[N@H+]2CCCS(C)(=O)=O)o1 ZINC000096415001 393826220 /nfs/dbraw/zinc/82/62/20/393826220.db2.gz RTDVKHLDJMBIHJ-AWEZNQCLSA-N 1 1 299.436 2.940 50 0 CFAAMO OCCCC[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000096421141 393828132 /nfs/dbraw/zinc/82/81/32/393828132.db2.gz MLTWKVQOZKBSNG-UHFFFAOYSA-N 1 1 270.376 2.972 50 0 CFAAMO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000246568429 393874339 /nfs/dbraw/zinc/87/43/39/393874339.db2.gz MFWHXWPFJOZKPR-QLFBSQMISA-N 1 1 293.455 2.548 50 0 CFAAMO CCC[N@@H+](Cc1cnc(CC)nc1)[C@@H]1CCCC[C@H]1O ZINC000252495633 393936346 /nfs/dbraw/zinc/93/63/46/393936346.db2.gz OUVDLUBDCKSYJD-HUUCEWRRSA-N 1 1 277.412 2.555 50 0 CFAAMO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000252668728 393937738 /nfs/dbraw/zinc/93/77/38/393937738.db2.gz FKMNKGLAXVPNMQ-JYJNAYRXSA-N 1 1 295.471 2.794 50 0 CFAAMO C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@]2(CCCOC2)O1 ZINC000253424807 393941703 /nfs/dbraw/zinc/94/17/03/393941703.db2.gz HOFYJEDVKMCTEX-FZMZJTMJSA-N 1 1 282.771 2.509 50 0 CFAAMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@H]2C1 ZINC000272486033 394029794 /nfs/dbraw/zinc/02/97/94/394029794.db2.gz VNHJRPIXLNHDGH-FZMZJTMJSA-N 1 1 293.798 2.898 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1F ZINC000286104788 394192944 /nfs/dbraw/zinc/19/29/44/394192944.db2.gz LFDMMEZFPAPCLO-NSHDSACASA-N 1 1 297.395 2.940 50 0 CFAAMO Cc1nc(N)cc(N2CCC[C@H](OCc3ccccc3)C2)[nH+]1 ZINC000091872293 135074029 /nfs/dbraw/zinc/07/40/29/135074029.db2.gz XLAGHRBBKXDCNV-HNNXBMFYSA-N 1 1 298.390 2.553 50 0 CFAAMO CSCC(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000824881575 781998206 /nfs/dbraw/zinc/99/82/06/781998206.db2.gz HNXIXKGWUCMIHY-UHFFFAOYSA-N 1 1 275.377 2.541 50 0 CFAAMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(OC)OC ZINC000408514285 397564826 /nfs/dbraw/zinc/56/48/26/397564826.db2.gz NGYFKQPGERPGNO-OAHLLOKOSA-N 1 1 279.380 2.623 50 0 CFAAMO Cc1ccc(NCc2ccc(-n3cncn3)c(F)c2)[nH+]c1 ZINC000044973879 397571155 /nfs/dbraw/zinc/57/11/55/397571155.db2.gz RSCDYNPBECHECK-UHFFFAOYSA-N 1 1 283.310 2.722 50 0 CFAAMO CN1CCC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1=O ZINC000012072459 397538656 /nfs/dbraw/zinc/53/86/56/397538656.db2.gz TVPBRNLWOJIDEC-MRXNPFEDSA-N 1 1 292.810 2.784 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1CCCC1 ZINC000047717532 397587764 /nfs/dbraw/zinc/58/77/64/397587764.db2.gz WMUKYYHQUUXVCA-UHFFFAOYSA-N 1 1 271.364 2.545 50 0 CFAAMO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000104239608 397596085 /nfs/dbraw/zinc/59/60/85/397596085.db2.gz JWQWHEMSPVGTCR-IVOILVROSA-N 1 1 289.375 2.951 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000104713309 397596239 /nfs/dbraw/zinc/59/62/39/397596239.db2.gz XPQBFKXAEHHWMA-NWDGAFQWSA-N 1 1 264.344 2.885 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](C)C1 ZINC000104713309 397596240 /nfs/dbraw/zinc/59/62/40/397596240.db2.gz XPQBFKXAEHHWMA-NWDGAFQWSA-N 1 1 264.344 2.885 50 0 CFAAMO CCc1nc(N2CC[C@@H](Oc3cccnc3C)C2)cc(C)[nH+]1 ZINC000376459459 157358732 /nfs/dbraw/zinc/35/87/32/157358732.db2.gz FWUDCBRFJCJYFX-CQSZACIVSA-N 1 1 298.390 2.709 50 0 CFAAMO COc1ccc2[nH]cc(C(=O)C[NH+]3CCCCC3)c2c1 ZINC000004811485 170021655 /nfs/dbraw/zinc/02/16/55/170021655.db2.gz DVBZFBRGCRXTTH-UHFFFAOYSA-N 1 1 272.348 2.845 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004834856 170026386 /nfs/dbraw/zinc/02/63/86/170026386.db2.gz JBXDCVZZZNLFSO-LSDHHAIUSA-N 1 1 295.448 2.889 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004834856 170026387 /nfs/dbraw/zinc/02/63/87/170026387.db2.gz JBXDCVZZZNLFSO-LSDHHAIUSA-N 1 1 295.448 2.889 50 0 CFAAMO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000004841060 170027684 /nfs/dbraw/zinc/02/76/84/170027684.db2.gz TZVJNJMOBARIOQ-CYBMUJFWSA-N 1 1 261.365 3.000 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000004977871 170048219 /nfs/dbraw/zinc/04/82/19/170048219.db2.gz BOUKKPILYRESDW-UHFFFAOYSA-N 1 1 262.397 2.611 50 0 CFAAMO CCOc1ccc(CN(C)C2CC[NH+](C)CC2)cc1 ZINC000004977871 170048221 /nfs/dbraw/zinc/04/82/21/170048221.db2.gz BOUKKPILYRESDW-UHFFFAOYSA-N 1 1 262.397 2.611 50 0 CFAAMO Cc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccco3)cc2c1 ZINC000004993229 170051188 /nfs/dbraw/zinc/05/11/88/170051188.db2.gz ZVWZNZYYPXIWSF-UHFFFAOYSA-N 1 1 268.316 2.719 50 0 CFAAMO C[NH+]1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000005013647 170055171 /nfs/dbraw/zinc/05/51/71/170055171.db2.gz XXLWRLWRABHBQY-UHFFFAOYSA-N 1 1 280.371 2.741 50 0 CFAAMO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000005010330 170055352 /nfs/dbraw/zinc/05/53/52/170055352.db2.gz APWHYIPFRFZGGK-SJORKVTESA-N 1 1 294.398 2.776 50 0 CFAAMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000007384183 170281757 /nfs/dbraw/zinc/28/17/57/170281757.db2.gz FSQPZQITBAXHQI-OLZOCXBDSA-N 1 1 276.380 2.754 50 0 CFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007444974 170285417 /nfs/dbraw/zinc/28/54/17/170285417.db2.gz VQIIURZTILVKCQ-GOEBONIOSA-N 1 1 274.408 2.813 50 0 CFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007444974 170285419 /nfs/dbraw/zinc/28/54/19/170285419.db2.gz VQIIURZTILVKCQ-GOEBONIOSA-N 1 1 274.408 2.813 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000007636289 170294494 /nfs/dbraw/zinc/29/44/94/170294494.db2.gz YFADKVPPSMOCDV-INIZCTEOSA-N 1 1 277.408 2.999 50 0 CFAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000008118984 170319827 /nfs/dbraw/zinc/31/98/27/170319827.db2.gz MQZZVQFXSMJJMP-SNVBAGLBSA-N 1 1 268.307 2.778 50 0 CFAAMO Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC000009155602 170364836 /nfs/dbraw/zinc/36/48/36/170364836.db2.gz ATEJFNKSLXOLDE-UHFFFAOYSA-N 1 1 288.420 2.748 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2cccc(C=O)c2)C1 ZINC000009261381 170369300 /nfs/dbraw/zinc/36/93/00/170369300.db2.gz XEHJICFNDYDDQD-OKILXGFUSA-N 1 1 261.365 2.856 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000009484002 170378604 /nfs/dbraw/zinc/37/86/04/170378604.db2.gz OPRMELGUAVVXLN-TXEJJXNPSA-N 1 1 264.344 2.742 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000009484002 170378605 /nfs/dbraw/zinc/37/86/05/170378605.db2.gz OPRMELGUAVVXLN-TXEJJXNPSA-N 1 1 264.344 2.742 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3ccc(F)cc3F)cs2)CC1 ZINC000009515378 170380005 /nfs/dbraw/zinc/38/00/05/170380005.db2.gz LVUSMOROFVPRGS-UHFFFAOYSA-N 1 1 295.358 2.840 50 0 CFAAMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000009997217 170394460 /nfs/dbraw/zinc/39/44/60/170394460.db2.gz IHEMLVHFMUGUSJ-QWRGUYRKSA-N 1 1 282.334 2.881 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2csc(C(C)C)c2)CC1 ZINC000016604447 170704238 /nfs/dbraw/zinc/70/42/38/170704238.db2.gz IIOFGCNVJIOIRD-UHFFFAOYSA-N 1 1 266.410 2.649 50 0 CFAAMO CCCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020149318 171037423 /nfs/dbraw/zinc/03/74/23/171037423.db2.gz SYLVANJPIAHUIM-UHFFFAOYSA-N 1 1 260.381 2.521 50 0 CFAAMO CCc1cc(OCCCC[NH+]2CCNCC2)ccc1Cl ZINC000020272587 171127712 /nfs/dbraw/zinc/12/77/12/171127712.db2.gz KKPSMIPCKGGNBA-UHFFFAOYSA-N 1 1 296.842 2.967 50 0 CFAAMO CC(C)(C)CN1CC[N@@H+](CC2CCCCC2)C[C@@H]1CCO ZINC000020455008 171208238 /nfs/dbraw/zinc/20/82/38/171208238.db2.gz VISXZZQCSWXEJY-KRWDZBQOSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@@H+]1CCN(CC2CCCCC2)C[C@@H]1CCO ZINC000020455008 171208241 /nfs/dbraw/zinc/20/82/41/171208241.db2.gz VISXZZQCSWXEJY-KRWDZBQOSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@H+]1CCN(CC2CCCCC2)C[C@@H]1CCO ZINC000020455008 171208244 /nfs/dbraw/zinc/20/82/44/171208244.db2.gz VISXZZQCSWXEJY-KRWDZBQOSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(=O)c1ccccc1OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020653300 171268696 /nfs/dbraw/zinc/26/86/96/171268696.db2.gz YRNSWJKBRZCTGV-ZIAGYGMSSA-N 1 1 291.391 2.767 50 0 CFAAMO CC[N@@H+](CCNC(=O)CCn1cccc1)Cc1ccccc1 ZINC000021016702 171289926 /nfs/dbraw/zinc/28/99/26/171289926.db2.gz OWMDYPAHVZEQNF-UHFFFAOYSA-N 1 1 299.418 2.517 50 0 CFAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1c(C)noc1C ZINC000021720093 171320439 /nfs/dbraw/zinc/32/04/39/171320439.db2.gz ILTCDPCRPMIKRD-AWEZNQCLSA-N 1 1 274.368 2.670 50 0 CFAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000022216170 171375840 /nfs/dbraw/zinc/37/58/40/171375840.db2.gz VTOJUZHJWUBFJD-QGZVFWFLSA-N 1 1 253.345 2.780 50 0 CFAAMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)nc(C)n1 ZINC000659849200 414586774 /nfs/dbraw/zinc/58/67/74/414586774.db2.gz OJFIQRVIZDTYRZ-OAHLLOKOSA-N 1 1 297.406 2.571 50 0 CFAAMO CCc1ccc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)cc1 ZINC000039518812 174169345 /nfs/dbraw/zinc/16/93/45/174169345.db2.gz LGMHSZBOUWEOPO-GOSISDBHSA-N 1 1 290.451 2.526 50 0 CFAAMO CC(C)CCNC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049895 174185255 /nfs/dbraw/zinc/18/52/55/174185255.db2.gz YTHKHUJLAHMHPE-MRXNPFEDSA-N 1 1 274.408 2.768 50 0 CFAAMO NC(=O)c1ccc(C[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000040059787 174185714 /nfs/dbraw/zinc/18/57/14/174185714.db2.gz CCWJGXLEJXFVPB-UHFFFAOYSA-N 1 1 294.398 2.993 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1cccc(F)c1 ZINC000040107542 174192276 /nfs/dbraw/zinc/19/22/76/174192276.db2.gz ZPVQWWFWPSTENF-MYSGNRETSA-N 1 1 290.382 2.830 50 0 CFAAMO C[N@@H+](Cc1cnc2ccccc2n1)[C@@H]1CCSC1 ZINC000660128115 414667194 /nfs/dbraw/zinc/66/71/94/414667194.db2.gz JQHYDKCQJDZEBE-GFCCVEGCSA-N 1 1 259.378 2.567 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000044533720 175196973 /nfs/dbraw/zinc/19/69/73/175196973.db2.gz SXPCKPACECQRKL-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000044533720 175196975 /nfs/dbraw/zinc/19/69/75/175196975.db2.gz SXPCKPACECQRKL-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)cc1OC ZINC000044533720 175196977 /nfs/dbraw/zinc/19/69/77/175196977.db2.gz SXPCKPACECQRKL-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO FC(F)Oc1ccccc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684994 175231201 /nfs/dbraw/zinc/23/12/01/175231201.db2.gz BSOSWRDCWCHELF-LBPRGKRZSA-N 1 1 282.334 2.614 50 0 CFAAMO FC(F)Oc1ccccc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000044684994 175231203 /nfs/dbraw/zinc/23/12/03/175231203.db2.gz BSOSWRDCWCHELF-LBPRGKRZSA-N 1 1 282.334 2.614 50 0 CFAAMO Cc1ccc(C[N@@H+](C)CCn2c(=O)oc3ccccc32)o1 ZINC000044910512 175275518 /nfs/dbraw/zinc/27/55/18/175275518.db2.gz XHBWWGYGELBQHV-UHFFFAOYSA-N 1 1 286.331 2.628 50 0 CFAAMO O=C(C[N@H+](Cc1cccs1)C1CC1)NCc1ccco1 ZINC000045007078 175288808 /nfs/dbraw/zinc/28/88/08/175288808.db2.gz FAHHBQBNPUCINC-UHFFFAOYSA-N 1 1 290.388 2.622 50 0 CFAAMO O=C(C[N@@H+](Cc1cccs1)C1CC1)NCc1ccco1 ZINC000045007078 175288810 /nfs/dbraw/zinc/28/88/10/175288810.db2.gz FAHHBQBNPUCINC-UHFFFAOYSA-N 1 1 290.388 2.622 50 0 CFAAMO CC(C)C[N@@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000045751666 175382964 /nfs/dbraw/zinc/38/29/64/175382964.db2.gz BZHGNONUDYOTMG-UHFFFAOYSA-N 1 1 261.325 2.950 50 0 CFAAMO OCC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000046090752 175392689 /nfs/dbraw/zinc/39/26/89/175392689.db2.gz BQVWJZQWALRIRI-UHFFFAOYSA-N 1 1 257.736 2.683 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000046089355 175392837 /nfs/dbraw/zinc/39/28/37/175392837.db2.gz KNDJSPZNMFAPGY-AWEZNQCLSA-N 1 1 278.421 2.898 50 0 CFAAMO COc1ccc(NC(=O)C[N@@H+](C)C2CCCC2)c(OC)c1 ZINC000053814169 175551020 /nfs/dbraw/zinc/55/10/20/175551020.db2.gz YYDQTHIGJRLVCQ-UHFFFAOYSA-N 1 1 292.379 2.517 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)CC2=CCCCC2)C1 ZINC000067833774 175795668 /nfs/dbraw/zinc/79/56/68/175795668.db2.gz YZKUYRJIYHOXQT-OAHLLOKOSA-N 1 1 264.413 2.723 50 0 CFAAMO CCNc1cc[nH+]c(N[C@H](C)c2nc3ccccc3[nH]2)n1 ZINC000067910052 175801665 /nfs/dbraw/zinc/80/16/65/175801665.db2.gz UBGOZVLPPQBRCX-SNVBAGLBSA-N 1 1 282.351 2.958 50 0 CFAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000071878778 176287330 /nfs/dbraw/zinc/28/73/30/176287330.db2.gz FYQDWDBNHBLJNW-INIZCTEOSA-N 1 1 284.407 2.812 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000071880490 176287467 /nfs/dbraw/zinc/28/74/67/176287467.db2.gz GRVCQGMQKIEZQR-IAGOWNOFSA-N 1 1 290.382 2.801 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC000071880457 176287962 /nfs/dbraw/zinc/28/79/62/176287962.db2.gz MVOGMYJZMQVPMI-JKSUJKDBSA-N 1 1 292.448 2.766 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc2cc[nH]c2c1 ZINC000071883378 176289364 /nfs/dbraw/zinc/28/93/64/176289364.db2.gz CINPDYLWWYGXQT-OAHLLOKOSA-N 1 1 297.402 2.915 50 0 CFAAMO CC[C@@H]1CN(Cc2cnn(C)c2C2CC2)CC[N@H+]1C(C)C ZINC000072168540 176332645 /nfs/dbraw/zinc/33/26/45/176332645.db2.gz MNCGUEXDKWRMKO-MRXNPFEDSA-N 1 1 290.455 2.602 50 0 CFAAMO COC[C@H](C)[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000072304857 176365865 /nfs/dbraw/zinc/36/58/65/176365865.db2.gz RBBDGXIARXXLSQ-INIZCTEOSA-N 1 1 298.430 2.992 50 0 CFAAMO O=C(C[N@H+]1CC[C@H]1Cc1ccccc1)N1CCCCCC1 ZINC000072311982 176367418 /nfs/dbraw/zinc/36/74/18/176367418.db2.gz HRGSICGNQYNWJT-KRWDZBQOSA-N 1 1 286.419 2.706 50 0 CFAAMO Fc1cccc(C[N@@H+](CCC2OCCCO2)C2CC2)c1 ZINC000072312060 176367589 /nfs/dbraw/zinc/36/75/89/176367589.db2.gz PZYXCMQGHUEICR-UHFFFAOYSA-N 1 1 279.355 2.943 50 0 CFAAMO CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312055 176367598 /nfs/dbraw/zinc/36/75/98/176367598.db2.gz BTTIJSGYPDLENX-AWEZNQCLSA-N 1 1 270.380 2.889 50 0 CFAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000072411172 176398202 /nfs/dbraw/zinc/39/82/02/176398202.db2.gz AKRYVJUJMXMZBJ-KRWDZBQOSA-N 1 1 291.435 2.737 50 0 CFAAMO CCn1cc(C[N@H+]2CCC[C@H](CCCOC)C2)cn1 ZINC000077554160 177280803 /nfs/dbraw/zinc/28/08/03/177280803.db2.gz VCXAHXSMXZNQEL-CQSZACIVSA-N 1 1 265.401 2.542 50 0 CFAAMO CC(C)(C)C[N@@H+](CCCO)Cc1ccnc(Cl)c1 ZINC000078611590 177360080 /nfs/dbraw/zinc/36/00/80/177360080.db2.gz XDCKNFDXBSVFQM-UHFFFAOYSA-N 1 1 270.804 2.966 50 0 CFAAMO COCCC[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095498434 274019436 /nfs/dbraw/zinc/01/94/36/274019436.db2.gz FDXXMTACKXYOAR-CQSZACIVSA-N 1 1 263.381 2.596 50 0 CFAAMO CCCCCC[C@@H]1CC(=O)N(C[NH+]2CCCCC2)C(=O)N1 ZINC000057211606 276227202 /nfs/dbraw/zinc/22/72/02/276227202.db2.gz OJEBYCGYYYHZOX-CQSZACIVSA-N 1 1 295.427 2.711 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000003684253 276320760 /nfs/dbraw/zinc/32/07/60/276320760.db2.gz CEVZKGVNGGYUKK-AWEZNQCLSA-N 1 1 280.437 2.829 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005019674 279308699 /nfs/dbraw/zinc/30/86/99/279308699.db2.gz MWRYYURFNBRCQG-QFQXCOSMSA-N 1 1 290.451 2.803 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)[C@@H]2CCOC(C)(C)C2)CCCC1 ZINC000534581032 328311438 /nfs/dbraw/zinc/31/14/38/328311438.db2.gz DXOUNPCESHMLSU-CQSZACIVSA-N 1 1 296.455 2.572 50 0 CFAAMO Cc1cccc2nc(C[NH2+][C@H]3CCCSC3)[nH]c21 ZINC000534662397 328350268 /nfs/dbraw/zinc/35/02/68/328350268.db2.gz JXPRSYYTMOGCRD-NSHDSACASA-N 1 1 261.394 2.857 50 0 CFAAMO C[NH+](C)CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000131496437 329528044 /nfs/dbraw/zinc/52/80/44/329528044.db2.gz XYAGGHGXWCZOEV-UHFFFAOYSA-N 1 1 269.348 2.930 50 0 CFAAMO N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000250657885 333248120 /nfs/dbraw/zinc/24/81/20/333248120.db2.gz WXBOUFZFJFRVCW-IRXDYDNUSA-N 1 1 252.361 2.613 50 0 CFAAMO N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000250657885 333248121 /nfs/dbraw/zinc/24/81/21/333248121.db2.gz WXBOUFZFJFRVCW-IRXDYDNUSA-N 1 1 252.361 2.613 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1CCCNc1ccc2ccccc2n1 ZINC000828710786 782102716 /nfs/dbraw/zinc/10/27/16/782102716.db2.gz FAZQTKMOIPBNPR-MRXNPFEDSA-N 1 1 299.418 2.884 50 0 CFAAMO CCCC[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000068048841 520413932 /nfs/dbraw/zinc/41/39/32/520413932.db2.gz MMZLGOCCZMTCCB-CYBMUJFWSA-N 1 1 271.788 2.812 50 0 CFAAMO C[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccn(C)n1 ZINC000414059648 533902921 /nfs/dbraw/zinc/90/29/21/533902921.db2.gz WWEJDVMKUUWDTK-DZGCQCFKSA-N 1 1 288.395 2.501 50 0 CFAAMO c1csc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000096501824 534516947 /nfs/dbraw/zinc/51/69/47/534516947.db2.gz RQNUHWYJRQQXGS-VIFPVBQESA-N 1 1 272.333 2.725 50 0 CFAAMO Fc1ccccc1[C@@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000096493067 534532627 /nfs/dbraw/zinc/53/26/27/534532627.db2.gz DNJRUQJCVABKGN-CQSZACIVSA-N 1 1 273.355 2.902 50 0 CFAAMO C[C@@H](O)c1ccc(-c2ccc(CNCC[NH+](C)C)o2)cc1 ZINC000019872359 525864532 /nfs/dbraw/zinc/86/45/32/525864532.db2.gz RYBLYPBCPMQXOB-CYBMUJFWSA-N 1 1 288.391 2.651 50 0 CFAAMO C/C=C/C=C\C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000098000712 527608835 /nfs/dbraw/zinc/60/88/35/527608835.db2.gz JIGWMEBXATXHDS-OQDWVOHCSA-N 1 1 270.376 2.509 50 0 CFAAMO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000096501994 528138103 /nfs/dbraw/zinc/13/81/03/528138103.db2.gz NAOHLSLOFDOBLS-BBRMVZONSA-N 1 1 263.381 2.564 50 0 CFAAMO CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000096501994 528138109 /nfs/dbraw/zinc/13/81/09/528138109.db2.gz NAOHLSLOFDOBLS-BBRMVZONSA-N 1 1 263.381 2.564 50 0 CFAAMO Cc1cc(C)n(C2C[NH+](CCc3ccccc3)C2)n1 ZINC000084102107 545540153 /nfs/dbraw/zinc/54/01/53/545540153.db2.gz CZMYSSOLYZEKST-UHFFFAOYSA-N 1 1 255.365 2.599 50 0 CFAAMO CCOc1ccc(C[N@H+]2CC=C[C@H]2CC)cc1CO ZINC000952986484 615510071 /nfs/dbraw/zinc/51/00/71/615510071.db2.gz YKYOKBOGQGRQLB-OAHLLOKOSA-N 1 1 261.365 2.728 50 0 CFAAMO C[NH+](C)CCNCc1ccccc1OC1CCCC1 ZINC000020500493 618804840 /nfs/dbraw/zinc/80/48/40/618804840.db2.gz JKXNVFVZKXXUGJ-UHFFFAOYSA-N 1 1 262.397 2.659 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)CCC2 ZINC000046858474 623104073 /nfs/dbraw/zinc/10/40/73/623104073.db2.gz SVVKMTRMZXJJPS-LBPRGKRZSA-N 1 1 292.448 2.841 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CCCO1 ZINC000180028150 624990847 /nfs/dbraw/zinc/99/08/47/624990847.db2.gz JGBPYTACMOKCAA-GFCCVEGCSA-N 1 1 291.420 2.759 50 0 CFAAMO COC(=O)[C@H]([NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000069554697 625155430 /nfs/dbraw/zinc/15/54/30/625155430.db2.gz GHSAYSKCPCECOR-OAHLLOKOSA-N 1 1 271.316 2.522 50 0 CFAAMO CN1CCC([N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000003684240 626408588 /nfs/dbraw/zinc/40/85/88/626408588.db2.gz VGJPCNBWIXJCAM-UHFFFAOYSA-N 1 1 252.789 2.866 50 0 CFAAMO Cc1cccc(C[N@@H+](Cc2cncnc2)C[C@H]2CCCO2)c1 ZINC000952967986 650790047 /nfs/dbraw/zinc/79/00/47/650790047.db2.gz JDIUJZLUOYMANG-GOSISDBHSA-N 1 1 297.402 2.966 50 0 CFAAMO Cc1cccc(C[N@H+](Cc2cncnc2)C[C@H]2CCCO2)c1 ZINC000952967986 650790049 /nfs/dbraw/zinc/79/00/49/650790049.db2.gz JDIUJZLUOYMANG-GOSISDBHSA-N 1 1 297.402 2.966 50 0 CFAAMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc[nH]c1)c1ccccc1 ZINC000092784354 650924840 /nfs/dbraw/zinc/92/48/40/650924840.db2.gz LJPKBZHJNIFWDF-QGZVFWFLSA-N 1 1 297.402 2.799 50 0 CFAAMO CCc1cnc(CN(C)Cc2[nH]c(C)[nH+]c2C)s1 ZINC000887268155 647255153 /nfs/dbraw/zinc/25/51/53/647255153.db2.gz DGQPHRVGOICHOA-UHFFFAOYSA-N 1 1 264.398 2.677 50 0 CFAAMO O=C(CC1CC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012835233 651133517 /nfs/dbraw/zinc/13/35/17/651133517.db2.gz BKWABNXWHKRSII-MRXNPFEDSA-N 1 1 278.440 2.947 50 0 CFAAMO Cc1ccc(-c2cc(CN3CCC[N@H+](C)CC3)[nH]n2)s1 ZINC000019606437 651291888 /nfs/dbraw/zinc/29/18/88/651291888.db2.gz OXJZGLXEPMCHSX-UHFFFAOYSA-N 1 1 290.436 2.584 50 0 CFAAMO CCc1nc2ccccc2n1CCC[N@H+]1CCCOCC1 ZINC000020322183 651298105 /nfs/dbraw/zinc/29/81/05/651298105.db2.gz YPUNVFDFEWJSPW-UHFFFAOYSA-N 1 1 287.407 2.711 50 0 CFAAMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2ccccc2)o1 ZINC000585135644 776870583 /nfs/dbraw/zinc/87/05/83/776870583.db2.gz ULGOSXJNQVVMQY-QWHCGFSZSA-N 1 1 299.374 2.506 50 0 CFAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc(-c2ccccc2)o1 ZINC000585135644 776870587 /nfs/dbraw/zinc/87/05/87/776870587.db2.gz ULGOSXJNQVVMQY-QWHCGFSZSA-N 1 1 299.374 2.506 50 0 CFAAMO CCCC[N@H+]1CCCN(C2Cc3ccccc3C2)CC1 ZINC000032590523 779072637 /nfs/dbraw/zinc/07/26/37/779072637.db2.gz RRWSEJAXXZEIDM-UHFFFAOYSA-N 1 1 272.436 2.962 50 0 CFAAMO CCCCN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000032590523 779072644 /nfs/dbraw/zinc/07/26/44/779072644.db2.gz RRWSEJAXXZEIDM-UHFFFAOYSA-N 1 1 272.436 2.962 50 0 CFAAMO CCCCN1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000032590523 779072650 /nfs/dbraw/zinc/07/26/50/779072650.db2.gz RRWSEJAXXZEIDM-UHFFFAOYSA-N 1 1 272.436 2.962 50 0 CFAAMO CC(C)(CN1CCC(C(C)(C)O)CC1)C[NH+]1CCCC1 ZINC000821260092 781881614 /nfs/dbraw/zinc/88/16/14/781881614.db2.gz MRVGDILRHQWUBT-UHFFFAOYSA-N 1 1 282.472 2.591 50 0 CFAAMO CCCO[C@H]1CCCN(C[C@H]2CCCCC[N@H+]2C)C1 ZINC000822975659 781918022 /nfs/dbraw/zinc/91/80/22/781918022.db2.gz GRQMHXSSAHAFDW-CVEARBPZSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@H]1CCC[N@H+](C[C@H]2CCCCCN2C)C1 ZINC000822975659 781918029 /nfs/dbraw/zinc/91/80/29/781918029.db2.gz GRQMHXSSAHAFDW-CVEARBPZSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](C[C@H]2CCCCCN2C)C1 ZINC000822975659 781918032 /nfs/dbraw/zinc/91/80/32/781918032.db2.gz GRQMHXSSAHAFDW-CVEARBPZSA-N 1 1 268.445 2.752 50 0 CFAAMO CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(F)cc1 ZINC000095967806 185046779 /nfs/dbraw/zinc/04/67/79/185046779.db2.gz VANCZKSBRLNGBW-YOEHRIQHSA-N 1 1 293.430 2.502 50 0 CFAAMO Cc1[nH+]ccn1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000095974636 185050180 /nfs/dbraw/zinc/05/01/80/185050180.db2.gz JUMWRQMGVSCGOQ-RDJZCZTQSA-N 1 1 286.375 2.647 50 0 CFAAMO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCSC1 ZINC000095976609 185050478 /nfs/dbraw/zinc/05/04/78/185050478.db2.gz TXMRBVUHIMTHTQ-INIZCTEOSA-N 1 1 287.432 2.869 50 0 CFAAMO C[C@@H](C1CCC1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000095987445 185056234 /nfs/dbraw/zinc/05/62/34/185056234.db2.gz QEYXMLMKQBSMFB-LBPRGKRZSA-N 1 1 285.391 2.554 50 0 CFAAMO CCOC(=O)[C@@H]1[C@@H](C[N@@H+](CCOC)[C@@H](C)C2CC2)C1(C)C ZINC000096009209 185063831 /nfs/dbraw/zinc/06/38/31/185063831.db2.gz IOTAGSUDDFIWCC-CFVMTHIKSA-N 1 1 297.439 2.569 50 0 CFAAMO COc1cccc(-c2cn[nH]c2[C@H]2CCC[NH2+]C2)c1 ZINC000096951879 185139540 /nfs/dbraw/zinc/13/95/40/185139540.db2.gz XZWLUFYTSDZIQZ-LBPRGKRZSA-N 1 1 257.337 2.552 50 0 CFAAMO CC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000097033840 185156380 /nfs/dbraw/zinc/15/63/80/185156380.db2.gz HLNWPYDVTZYJPS-MRXNPFEDSA-N 1 1 274.408 2.565 50 0 CFAAMO C[N@@H+]1CCN(C(=O)[C@H]2CC=CCC2)c2ccccc2C1 ZINC000069980171 346904759 /nfs/dbraw/zinc/90/47/59/346904759.db2.gz KPRRXSWRHUICBT-AWEZNQCLSA-N 1 1 270.376 2.821 50 0 CFAAMO C[N@H+]1CCN(C(=O)[C@H]2CC=CCC2)c2ccccc2C1 ZINC000069980171 346904761 /nfs/dbraw/zinc/90/47/61/346904761.db2.gz KPRRXSWRHUICBT-AWEZNQCLSA-N 1 1 270.376 2.821 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(I)cc1 ZINC000012370674 282198628 /nfs/dbraw/zinc/19/86/28/282198628.db2.gz REVPKMONQSPHGF-UHFFFAOYSA-N 1 1 284.100 2.785 50 0 CFAAMO CC[N@H+]1CC[C@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000823104910 781921647 /nfs/dbraw/zinc/92/16/47/781921647.db2.gz UNJNBHBKAVQXCY-LBPRGKRZSA-N 1 1 274.393 2.711 50 0 CFAAMO CC(C)c1nnc(NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000097104438 185533518 /nfs/dbraw/zinc/53/35/18/185533518.db2.gz NEOQIORMICKGNA-UHFFFAOYSA-N 1 1 291.424 2.849 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000072236003 539464130 /nfs/dbraw/zinc/46/41/30/539464130.db2.gz BWBNAHOSDQEWRC-LRDDRELGSA-N 1 1 274.339 2.737 50 0 CFAAMO CCC(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000075683858 539482173 /nfs/dbraw/zinc/48/21/73/539482173.db2.gz ZJHMPJQLTPWJBC-CQSZACIVSA-N 1 1 260.381 2.610 50 0 CFAAMO CC(C)=CCC[C@H](C)CC[N@H+](C[C@@H](C)O)C[C@H](C)O ZINC000012383404 346231148 /nfs/dbraw/zinc/23/11/48/346231148.db2.gz HIJOMHQVKSILEM-HRCADAONSA-N 1 1 271.445 2.823 50 0 CFAAMO O=C(c1ccccc1C[NH+]1CCSCC1)C1CC1 ZINC000085651708 179110597 /nfs/dbraw/zinc/11/05/97/179110597.db2.gz ADVSKYIHIKPPIQ-UHFFFAOYSA-N 1 1 261.390 2.828 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000058874046 346651617 /nfs/dbraw/zinc/65/16/17/346651617.db2.gz XUUHWBJKVBJCFR-KFWWJZLASA-N 1 1 266.429 2.946 50 0 CFAAMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000678461008 539556071 /nfs/dbraw/zinc/55/60/71/539556071.db2.gz IEHKRAHSSHKJHF-NWDGAFQWSA-N 1 1 260.341 2.647 50 0 CFAAMO Cc1cnc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 ZINC000078947934 347281417 /nfs/dbraw/zinc/28/14/17/347281417.db2.gz BFPYAWIHXQWPTL-MSOLQXFVSA-N 1 1 297.402 2.873 50 0 CFAAMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ncc[nH]2)cc1F ZINC000080374501 347356137 /nfs/dbraw/zinc/35/61/37/347356137.db2.gz NWAWEXXOOYZTSI-LLVKDONJSA-N 1 1 299.353 2.894 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccn(C(C)C)n3)C2)n[nH]1 ZINC000089599060 347521946 /nfs/dbraw/zinc/52/19/46/347521946.db2.gz LDINBGQGZFOAFQ-CQSZACIVSA-N 1 1 287.411 2.875 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccn(C(C)C)n3)C2)n[nH]1 ZINC000089599060 347521948 /nfs/dbraw/zinc/52/19/48/347521948.db2.gz LDINBGQGZFOAFQ-CQSZACIVSA-N 1 1 287.411 2.875 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccn(C(C)C)n3)C2)[nH]n1 ZINC000089599060 347521951 /nfs/dbraw/zinc/52/19/51/347521951.db2.gz LDINBGQGZFOAFQ-CQSZACIVSA-N 1 1 287.411 2.875 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccn(C(C)C)n3)C2)[nH]n1 ZINC000089599060 347521953 /nfs/dbraw/zinc/52/19/53/347521953.db2.gz LDINBGQGZFOAFQ-CQSZACIVSA-N 1 1 287.411 2.875 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1C ZINC000110705693 347749546 /nfs/dbraw/zinc/74/95/46/347749546.db2.gz OHTOEJUPYIGBJZ-AVGNSLFASA-N 1 1 295.379 2.528 50 0 CFAAMO CCCOc1ccc(NC(=O)C[NH+](C)C)cc1Cl ZINC000170761654 348061226 /nfs/dbraw/zinc/06/12/26/348061226.db2.gz PNTJCEJAOAYYCO-UHFFFAOYSA-N 1 1 270.760 2.629 50 0 CFAAMO Cc1ccc2cc(C[N@H+]3CC[C@](C)(CO)C3)ccc2n1 ZINC000225481564 348177637 /nfs/dbraw/zinc/17/76/37/348177637.db2.gz BSQXNAIDVGVICJ-KRWDZBQOSA-N 1 1 270.376 2.748 50 0 CFAAMO CCC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccsc1 ZINC000225631722 348178129 /nfs/dbraw/zinc/17/81/29/348178129.db2.gz YUAAHKIKPMRRFC-LBPRGKRZSA-N 1 1 292.408 2.501 50 0 CFAAMO Cc1ccc(C[N@H+]2CC[C@@](C)(CO)C2)cc1Cl ZINC000225585413 348178337 /nfs/dbraw/zinc/17/83/37/348178337.db2.gz PXHPMBAXAJQNMK-CQSZACIVSA-N 1 1 253.773 2.853 50 0 CFAAMO C[N@@H+](CCC(=O)NCc1ccc(F)cc1)CC1CCCC1 ZINC000072583757 539616786 /nfs/dbraw/zinc/61/67/86/539616786.db2.gz BGUUWUXZIDZKQG-UHFFFAOYSA-N 1 1 292.398 2.954 50 0 CFAAMO CCc1cc(N2CCC3(CCOCC3)CC2)nc(C)[nH+]1 ZINC000286738520 348347976 /nfs/dbraw/zinc/34/79/76/348347976.db2.gz NGEWDTOIDHUHNS-UHFFFAOYSA-N 1 1 275.396 2.744 50 0 CFAAMO Clc1ccc2nc(C[NH2+][C@H]3CCSC3)[nH]c2c1 ZINC000584898548 348731507 /nfs/dbraw/zinc/73/15/07/348731507.db2.gz QYHLIFAXLIMMMB-VIFPVBQESA-N 1 1 267.785 2.811 50 0 CFAAMO C[C@@H](CCn1cccn1)[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000584903316 348732754 /nfs/dbraw/zinc/73/27/54/348732754.db2.gz XTOMXBBRMBHHJJ-ZDUSSCGKSA-N 1 1 297.362 2.502 50 0 CFAAMO C[C@H](C[NH+]1CCCCCC1)NCCc1nccs1 ZINC000584903565 348732919 /nfs/dbraw/zinc/73/29/19/348732919.db2.gz MGJNPTOELALGAQ-CYBMUJFWSA-N 1 1 267.442 2.540 50 0 CFAAMO CC[C@H](CNc1nccc2ccccc21)[NH+]1CCOCC1 ZINC000584902697 348733098 /nfs/dbraw/zinc/73/30/98/348733098.db2.gz HOELUODMJHWKTO-OAHLLOKOSA-N 1 1 285.391 2.758 50 0 CFAAMO CCCOC1CC[NH+](C[C@H](N)c2ccccc2)CC1 ZINC000584904632 348733630 /nfs/dbraw/zinc/73/36/30/348733630.db2.gz SWSSDVBQQMTKOS-INIZCTEOSA-N 1 1 262.397 2.577 50 0 CFAAMO COc1cccc(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000585140354 348736590 /nfs/dbraw/zinc/73/65/90/348736590.db2.gz CPKLXLUPVDUKCP-UONOGXRCSA-N 1 1 262.397 2.576 50 0 CFAAMO COc1cccc(C)c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000585140354 348736591 /nfs/dbraw/zinc/73/65/91/348736591.db2.gz CPKLXLUPVDUKCP-UONOGXRCSA-N 1 1 262.397 2.576 50 0 CFAAMO c1ccc2c(c1)C[C@H](Cc1cc(N3CCCC3)cn[nH+]1)CO2 ZINC000091574192 180197015 /nfs/dbraw/zinc/19/70/15/180197015.db2.gz CDBPPPGACCFQHE-CQSZACIVSA-N 1 1 295.386 2.871 50 0 CFAAMO Cc1ccsc1CN1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000091519102 180177348 /nfs/dbraw/zinc/17/73/48/180177348.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 1 1 250.411 2.583 50 0 CFAAMO Cc1ccsc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C)C2 ZINC000091519102 180177352 /nfs/dbraw/zinc/17/73/52/180177352.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 1 1 250.411 2.583 50 0 CFAAMO Cc1ccsc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C)C2 ZINC000091519102 180177354 /nfs/dbraw/zinc/17/73/54/180177354.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 1 1 250.411 2.583 50 0 CFAAMO CSCCC[N@H+]1CC[C@H](Cc2cccc(CO)c2)C1 ZINC000091551490 180189351 /nfs/dbraw/zinc/18/93/51/180189351.db2.gz VDAOIUREZWIVDS-OAHLLOKOSA-N 1 1 279.449 2.796 50 0 CFAAMO c1ccc(CC[N@H+]2CCC[C@H](CNc3ncccn3)C2)cc1 ZINC000091644852 180214637 /nfs/dbraw/zinc/21/46/37/180214637.db2.gz QGJNJLAOFKHNCN-QGZVFWFLSA-N 1 1 296.418 2.843 50 0 CFAAMO Cc1cccc(C[N@H+]2CCC[C@](CO)(CC3CC3)C2)n1 ZINC000091707435 180230742 /nfs/dbraw/zinc/23/07/42/180230742.db2.gz NFLQMNNDAUOERO-KRWDZBQOSA-N 1 1 274.408 2.765 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)cc1F ZINC000091745841 180245294 /nfs/dbraw/zinc/24/52/94/180245294.db2.gz DICGTWNYIMCEHP-INIZCTEOSA-N 1 1 281.371 2.817 50 0 CFAAMO Cc1[nH+]ccn1CC1(CNc2cc(C3CC3)ncn2)CC1 ZINC000092001728 180304006 /nfs/dbraw/zinc/30/40/06/180304006.db2.gz MVTZTHPHGILMOX-UHFFFAOYSA-N 1 1 283.379 2.751 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000092101741 180326070 /nfs/dbraw/zinc/32/60/70/180326070.db2.gz UYDUVFDVWWTGGZ-ZDUSSCGKSA-N 1 1 298.789 2.779 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)cs1 ZINC000092066604 180315897 /nfs/dbraw/zinc/31/58/97/180315897.db2.gz DNYPUECLBYLZLK-HNNXBMFYSA-N 1 1 280.437 2.826 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@](CO)(CC3CC3)C2)cs1 ZINC000092066604 180315899 /nfs/dbraw/zinc/31/58/99/180315899.db2.gz DNYPUECLBYLZLK-HNNXBMFYSA-N 1 1 280.437 2.826 50 0 CFAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)c1ccco1 ZINC000106586046 186128484 /nfs/dbraw/zinc/12/84/84/186128484.db2.gz RVQXOCUAEIUFDP-VXGBXAGGSA-N 1 1 266.385 2.823 50 0 CFAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000110642523 186308574 /nfs/dbraw/zinc/30/85/74/186308574.db2.gz XKCGMGUBELMIQY-VXGBXAGGSA-N 1 1 297.424 2.528 50 0 CFAAMO CS[C@@H]1CC[C@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000110641754 186308751 /nfs/dbraw/zinc/30/87/51/186308751.db2.gz DDVOAZYJRPWPPT-UONOGXRCSA-N 1 1 250.411 2.840 50 0 CFAAMO O=C1CCCN1CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000606441012 351269974 /nfs/dbraw/zinc/26/99/74/351269974.db2.gz FLQYHCCYMNXOPI-QXPKXGMISA-N 1 1 284.403 2.787 50 0 CFAAMO Cn1cncc1C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000237944649 282789875 /nfs/dbraw/zinc/78/98/75/282789875.db2.gz CBISSOBUJDUBMT-ZDUSSCGKSA-N 1 1 277.755 2.687 50 0 CFAAMO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000080339470 539843211 /nfs/dbraw/zinc/84/32/11/539843211.db2.gz QIHVMXSKTGZHIE-ZUZCIYMTSA-N 1 1 259.328 2.962 50 0 CFAAMO C[C@H]([NH2+]Cc1nncn1C)c1ccc(OC(C)(C)C)cc1 ZINC000156774253 188280334 /nfs/dbraw/zinc/28/03/34/188280334.db2.gz HJVVCHJUCSIIFT-LBPRGKRZSA-N 1 1 288.395 2.843 50 0 CFAAMO Cc1cccc([C@@H](C(=O)NCc2cccs2)[NH+](C)C)c1 ZINC000823649027 781933307 /nfs/dbraw/zinc/93/33/07/781933307.db2.gz SWIUGLKGDUTYNB-HNNXBMFYSA-N 1 1 288.416 2.976 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000239619506 540042111 /nfs/dbraw/zinc/04/21/11/540042111.db2.gz BFCGLXHHVJDPIV-QWHCGFSZSA-N 1 1 294.468 2.893 50 0 CFAAMO CC(C)(C)n1ncnc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000239619506 540042114 /nfs/dbraw/zinc/04/21/14/540042114.db2.gz BFCGLXHHVJDPIV-QWHCGFSZSA-N 1 1 294.468 2.893 50 0 CFAAMO CCC[NH+]1CCC(Nc2ccc3c[nH]nc3c2)CC1 ZINC000004009683 540065145 /nfs/dbraw/zinc/06/51/45/540065145.db2.gz VEWNVSGUYKYRKY-UHFFFAOYSA-N 1 1 258.369 2.849 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(n2cccc2)CC1 ZINC000084789191 540685304 /nfs/dbraw/zinc/68/53/04/540685304.db2.gz NURUVKFVJUKGPW-MRXNPFEDSA-N 1 1 289.423 2.526 50 0 CFAAMO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C2CCC2)C[C@@H]1C ZINC000095397740 540724832 /nfs/dbraw/zinc/72/48/32/540724832.db2.gz YKLWOBFFFWQBEX-CWRNSKLLSA-N 1 1 293.455 2.833 50 0 CFAAMO CN1CC[N@@H+](C)Cc2ccc(NC(=O)C3CCCC3)cc21 ZINC000095986349 540725740 /nfs/dbraw/zinc/72/57/40/540725740.db2.gz UUOJBBAFRLBSBE-UHFFFAOYSA-N 1 1 287.407 2.697 50 0 CFAAMO CC[N@H+]1CC[C@H](Nc2ccc3n[nH]cc3c2)[C@H](C)C1 ZINC000095991595 540726531 /nfs/dbraw/zinc/72/65/31/540726531.db2.gz PDVOUWPOYAPCIJ-RISCZKNCSA-N 1 1 258.369 2.705 50 0 CFAAMO c1c[nH]c([C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n1 ZINC000670439682 540995072 /nfs/dbraw/zinc/99/50/72/540995072.db2.gz PIFLWDRUDVBTGW-HNNXBMFYSA-N 1 1 267.376 2.757 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC[C@H]2CCOC2)cc1OC ZINC000670439700 540995407 /nfs/dbraw/zinc/99/54/07/540995407.db2.gz FIQBVNQEWPIYBX-ZDUSSCGKSA-N 1 1 279.380 2.562 50 0 CFAAMO c1ccc([C@H]2C[N@H+](C3CSCCSC3)CCO2)cc1 ZINC000670440197 540995730 /nfs/dbraw/zinc/99/57/30/540995730.db2.gz CRIBMMAOGVGZNC-OAHLLOKOSA-N 1 1 295.473 2.909 50 0 CFAAMO c1ccc([C@H]2C[N@@H+](C3CSCCSC3)CCO2)cc1 ZINC000670440197 540995732 /nfs/dbraw/zinc/99/57/32/540995732.db2.gz CRIBMMAOGVGZNC-OAHLLOKOSA-N 1 1 295.473 2.909 50 0 CFAAMO CC[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccnc(C)c1 ZINC000670450968 540999223 /nfs/dbraw/zinc/99/92/23/540999223.db2.gz AXZYGYWDTNNFCF-INIZCTEOSA-N 1 1 289.423 2.659 50 0 CFAAMO CC[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccnc(C)c1 ZINC000670450968 540999226 /nfs/dbraw/zinc/99/92/26/540999226.db2.gz AXZYGYWDTNNFCF-INIZCTEOSA-N 1 1 289.423 2.659 50 0 CFAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC000670465567 541005816 /nfs/dbraw/zinc/00/58/16/541005816.db2.gz IVYPQURGRAPLBG-KRWDZBQOSA-N 1 1 287.407 2.938 50 0 CFAAMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3oc(C)cc3c2)C1 ZINC000670467790 541007422 /nfs/dbraw/zinc/00/74/22/541007422.db2.gz PYLVTZFZHZKMKS-OAHLLOKOSA-N 1 1 286.375 2.955 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000670474374 541011879 /nfs/dbraw/zinc/01/18/79/541011879.db2.gz SQQHUDHQUMCAQI-TXTHVTMNSA-N 1 1 261.365 2.555 50 0 CFAAMO Cn1cccc1CNc1[nH+]c2cc(F)ccc2n1C ZINC000184255522 189380952 /nfs/dbraw/zinc/38/09/52/189380952.db2.gz ZNSLOQBGWWUNAT-UHFFFAOYSA-N 1 1 258.300 2.663 50 0 CFAAMO CNC(=O)CCC[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000194018552 189652994 /nfs/dbraw/zinc/65/29/94/189652994.db2.gz ICTLWDQGAGNDBZ-UHFFFAOYSA-N 1 1 268.788 2.606 50 0 CFAAMO C[N@H+]1C[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751606 189778033 /nfs/dbraw/zinc/77/80/33/189778033.db2.gz ZUTKUMRHLZENHR-IAGOWNOFSA-N 1 1 280.371 2.971 50 0 CFAAMO C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000198612 371556326 /nfs/dbraw/zinc/55/63/26/371556326.db2.gz FEHCPEOQHAUSNA-UHFFFAOYSA-N 1 1 280.371 2.741 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000000209884 371559399 /nfs/dbraw/zinc/55/93/99/371559399.db2.gz NNCCGRZZHNOZLE-JTQLQIEISA-N 1 1 290.226 2.857 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cs1 ZINC000000209884 371559402 /nfs/dbraw/zinc/55/94/02/371559402.db2.gz NNCCGRZZHNOZLE-JTQLQIEISA-N 1 1 290.226 2.857 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2CO)cc1C ZINC000000215037 371561132 /nfs/dbraw/zinc/56/11/32/371561132.db2.gz KDZAROCPKYHUQS-OAHLLOKOSA-N 1 1 263.381 2.659 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000000236586 371564471 /nfs/dbraw/zinc/56/44/71/371564471.db2.gz JVHDHWVQQPWGLP-GFCCVEGCSA-N 1 1 283.318 2.740 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000000236586 371564480 /nfs/dbraw/zinc/56/44/80/371564480.db2.gz JVHDHWVQQPWGLP-GFCCVEGCSA-N 1 1 283.318 2.740 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC000000244344 371567800 /nfs/dbraw/zinc/56/78/00/371567800.db2.gz AQVNRQCOOXEVMG-NSHDSACASA-N 1 1 266.772 2.554 50 0 CFAAMO COc1ccccc1C[N@@H+](C)CCc1ccccn1 ZINC000000271725 371574836 /nfs/dbraw/zinc/57/48/36/371574836.db2.gz NPRPYASSAFAFSU-UHFFFAOYSA-N 1 1 256.349 2.765 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2OCC)C1 ZINC000000293829 371580271 /nfs/dbraw/zinc/58/02/71/371580271.db2.gz YXRQVCSWIFZRRC-OAHLLOKOSA-N 1 1 291.391 2.860 50 0 CFAAMO CCOC(=CN=c1ccc2[nH+]s[nH]c-2c1)OCC ZINC000000308930 371584215 /nfs/dbraw/zinc/58/42/15/371584215.db2.gz KWPHZXAGWPBDII-UHFFFAOYSA-N 1 1 265.338 2.975 50 0 CFAAMO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000000420165 371611946 /nfs/dbraw/zinc/61/19/46/371611946.db2.gz JIIVSBJJBQFWMY-UHFFFAOYSA-N 1 1 266.344 2.683 50 0 CFAAMO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000000420165 371611953 /nfs/dbraw/zinc/61/19/53/371611953.db2.gz JIIVSBJJBQFWMY-UHFFFAOYSA-N 1 1 266.344 2.683 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)c2c[nH]c3ccccc23)C1 ZINC000000506507 371631725 /nfs/dbraw/zinc/63/17/25/371631725.db2.gz XTZAJWIPFFKQJR-BLLLJJGKSA-N 1 1 258.365 2.933 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000757445 371649038 /nfs/dbraw/zinc/64/90/38/371649038.db2.gz RJAFQZOHNBTPFY-SECBINFHSA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000757445 371649040 /nfs/dbraw/zinc/64/90/40/371649040.db2.gz RJAFQZOHNBTPFY-SECBINFHSA-N 1 1 260.164 2.950 50 0 CFAAMO C(CCC[N@@H+]1CCSC1)CCN1CCSC1 ZINC000002184742 371719926 /nfs/dbraw/zinc/71/99/26/371719926.db2.gz RETMPJPMQADLFF-UHFFFAOYSA-N 1 1 260.472 2.559 50 0 CFAAMO C(CCC[N@H+]1CCSC1)CCN1CCSC1 ZINC000002184742 371719935 /nfs/dbraw/zinc/71/99/35/371719935.db2.gz RETMPJPMQADLFF-UHFFFAOYSA-N 1 1 260.472 2.559 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000003306039 371789010 /nfs/dbraw/zinc/78/90/10/371789010.db2.gz VCHFVQATOVGUED-LBPRGKRZSA-N 1 1 280.799 2.831 50 0 CFAAMO CC1=C[C@H](C)[C@H](COC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000004094092 371833321 /nfs/dbraw/zinc/83/33/21/371833321.db2.gz DUHAEGVEICDSOU-ZNMIVQPWSA-N 1 1 265.397 2.864 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000003429220 371798619 /nfs/dbraw/zinc/79/86/19/371798619.db2.gz KCTUHEKXLBQVKF-UHFFFAOYSA-N 1 1 274.364 2.704 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(F)c1 ZINC000003583728 371811979 /nfs/dbraw/zinc/81/19/79/371811979.db2.gz OAINULQDHFWDCL-LLVKDONJSA-N 1 1 250.317 2.639 50 0 CFAAMO Nc1cccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000003999141 371827789 /nfs/dbraw/zinc/82/77/89/371827789.db2.gz QMUPZBBJTKGJIF-GOEBONIOSA-N 1 1 288.391 2.690 50 0 CFAAMO Cc1ccccc1OCC(=O)OCC[N@H+](C)C(C)(C)C ZINC000004616677 371867345 /nfs/dbraw/zinc/86/73/45/371867345.db2.gz HMONDMXKJQSQMQ-UHFFFAOYSA-N 1 1 279.380 2.647 50 0 CFAAMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000004135249 371837057 /nfs/dbraw/zinc/83/70/57/371837057.db2.gz GCHIHZIMIPPUGG-HOTGVXAUSA-N 1 1 277.408 2.918 50 0 CFAAMO CCCC[N@@H+](C)CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000012976011 372003617 /nfs/dbraw/zinc/00/36/17/372003617.db2.gz XNWBNFVSKNXFJB-UHFFFAOYSA-N 1 1 298.770 2.739 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013424570 372026462 /nfs/dbraw/zinc/02/64/62/372026462.db2.gz GDGJJJMFINQFHI-WOSRLPQWSA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013424570 372026469 /nfs/dbraw/zinc/02/64/69/372026469.db2.gz GDGJJJMFINQFHI-WOSRLPQWSA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000013424570 372026476 /nfs/dbraw/zinc/02/64/76/372026476.db2.gz GDGJJJMFINQFHI-WOSRLPQWSA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1CO ZINC000016663073 372115789 /nfs/dbraw/zinc/11/57/89/372115789.db2.gz PWTNKKDAYSEBFQ-PMGBHYCQSA-N 1 1 261.365 2.555 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)no1 ZINC000014184181 372062950 /nfs/dbraw/zinc/06/29/50/372062950.db2.gz BVQZEQYKMLKXSM-GFCCVEGCSA-N 1 1 273.336 2.615 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)no1 ZINC000014184181 372062955 /nfs/dbraw/zinc/06/29/55/372062955.db2.gz BVQZEQYKMLKXSM-GFCCVEGCSA-N 1 1 273.336 2.615 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1F)c1ccco1 ZINC000014245064 372065771 /nfs/dbraw/zinc/06/57/71/372065771.db2.gz CODWLCJGXRCUEA-ZDUSSCGKSA-N 1 1 291.326 2.843 50 0 CFAAMO C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1C)c1cccs1 ZINC000015261510 372082228 /nfs/dbraw/zinc/08/22/28/372082228.db2.gz HAORNFIYIXZFPZ-NEPJUHHUSA-N 1 1 266.410 2.800 50 0 CFAAMO Cc1cc2c(cc1C)N1CC[NH+]=C1N2CC(=O)C(C)(C)C ZINC000015415784 372083402 /nfs/dbraw/zinc/08/34/02/372083402.db2.gz DTFZUBWUYJSSIM-UHFFFAOYSA-N 1 1 285.391 2.915 50 0 CFAAMO Cc1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCCC2)o1 ZINC000015860236 372094810 /nfs/dbraw/zinc/09/48/10/372094810.db2.gz DXEOAQTZPSYMID-ZDUSSCGKSA-N 1 1 288.347 2.748 50 0 CFAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)c1ccccc1 ZINC000016381760 372104918 /nfs/dbraw/zinc/10/49/18/372104918.db2.gz LXHIGEQDBPJVLT-INIZCTEOSA-N 1 1 299.370 2.623 50 0 CFAAMO Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000019362942 372157137 /nfs/dbraw/zinc/15/71/37/372157137.db2.gz AXDZZZUJZSCPOO-UHFFFAOYSA-N 1 1 270.376 2.906 50 0 CFAAMO C[N@H+](CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000019586209 372176254 /nfs/dbraw/zinc/17/62/54/372176254.db2.gz URSMZIOAMBPWML-UHFFFAOYSA-N 1 1 293.370 2.598 50 0 CFAAMO C[N@@H+](CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000019586209 372176263 /nfs/dbraw/zinc/17/62/63/372176263.db2.gz URSMZIOAMBPWML-UHFFFAOYSA-N 1 1 293.370 2.598 50 0 CFAAMO CC[N@H+](CCN(C)C)Cc1ccc(SC)cc1 ZINC000019634543 372178401 /nfs/dbraw/zinc/17/84/01/372178401.db2.gz LPDMLIBKIGDHHV-UHFFFAOYSA-N 1 1 252.427 2.792 50 0 CFAAMO CC[N@@H+](CCN(C)C)Cc1ccc(SC)cc1 ZINC000019634543 372178409 /nfs/dbraw/zinc/17/84/09/372178409.db2.gz LPDMLIBKIGDHHV-UHFFFAOYSA-N 1 1 252.427 2.792 50 0 CFAAMO Cc1c[nH]c(C[N@H+](C)CCCc2ccc3c(c2)OCO3)n1 ZINC000019635651 372178565 /nfs/dbraw/zinc/17/85/65/372178565.db2.gz WGLWVEOLTWEIJG-UHFFFAOYSA-N 1 1 287.363 2.511 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)CCCc2ccc3c(c2)OCO3)n1 ZINC000019635651 372178576 /nfs/dbraw/zinc/17/85/76/372178576.db2.gz WGLWVEOLTWEIJG-UHFFFAOYSA-N 1 1 287.363 2.511 50 0 CFAAMO CCOCC[N@H+]1CC[C@H](OC(=O)c2ccccc2)[C@@H](C)C1 ZINC000017246557 372130770 /nfs/dbraw/zinc/13/07/70/372130770.db2.gz WMAVWZGHPBTWHI-HOCLYGCPSA-N 1 1 291.391 2.590 50 0 CFAAMO CCC[N@@H+]1CCc2c(sc3[nH]c(=S)nc(N)c23)C1 ZINC000019939798 372211513 /nfs/dbraw/zinc/21/15/13/372211513.db2.gz ONMFERKTLSTWPB-UHFFFAOYSA-N 1 1 280.422 2.704 50 0 CFAAMO CCC[N@H+]1CCc2c(sc3[nH]c(=S)nc(N)c23)C1 ZINC000019939798 372211515 /nfs/dbraw/zinc/21/15/15/372211515.db2.gz ONMFERKTLSTWPB-UHFFFAOYSA-N 1 1 280.422 2.704 50 0 CFAAMO CC1(C)C[C@@H](C[N@H+]2CC[C@@](O)(c3ccccc3)C2)CCO1 ZINC000019952744 372214078 /nfs/dbraw/zinc/21/40/78/372214078.db2.gz YXUVAYFFOOZIPC-YJBOKZPZSA-N 1 1 289.419 2.785 50 0 CFAAMO CCOc1ccccc1OCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020118302 372232728 /nfs/dbraw/zinc/23/27/28/372232728.db2.gz LOLAJLMRGHPMMS-ZIAGYGMSSA-N 1 1 279.380 2.573 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000019836132 372194366 /nfs/dbraw/zinc/19/43/66/372194366.db2.gz YWECAFLAZAOMNB-OAHLLOKOSA-N 1 1 286.419 2.693 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000025404552 372299199 /nfs/dbraw/zinc/29/91/99/372299199.db2.gz SABBIPIBOGYBQN-GFCCVEGCSA-N 1 1 264.344 2.947 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000023280916 372256010 /nfs/dbraw/zinc/25/60/10/372256010.db2.gz TUHUDOYDVMWEED-GFCCVEGCSA-N 1 1 289.297 2.790 50 0 CFAAMO CNC(=O)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC000023311895 372259075 /nfs/dbraw/zinc/25/90/75/372259075.db2.gz DARCETHXGXTKJN-NSHDSACASA-N 1 1 266.410 2.901 50 0 CFAAMO C[C@H](CNC(=O)C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000025633602 372305142 /nfs/dbraw/zinc/30/51/42/372305142.db2.gz GQFSEPALNJRDRS-CQSZACIVSA-N 1 1 286.419 2.740 50 0 CFAAMO O[C@@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000026807528 372329123 /nfs/dbraw/zinc/32/91/23/372329123.db2.gz OKGXSLRNMYELCR-KRWDZBQOSA-N 1 1 271.335 2.917 50 0 CFAAMO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C)c1ccco1 ZINC000027135154 372334955 /nfs/dbraw/zinc/33/49/55/372334955.db2.gz RVQXOCUAEIUFDP-RYUDHWBXSA-N 1 1 266.385 2.823 50 0 CFAAMO C[C@H]([N@@H+](C)Cc1cc(=O)n2ccccc2n1)C(C)(C)C ZINC000027135915 372335486 /nfs/dbraw/zinc/33/54/86/372335486.db2.gz JHSZWRDTJSJBSP-LBPRGKRZSA-N 1 1 273.380 2.561 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@H](C)C(C)(C)C)nc12 ZINC000027134842 372335704 /nfs/dbraw/zinc/33/57/04/372335704.db2.gz YONKYZCDYQDJJR-CYBMUJFWSA-N 1 1 287.407 2.869 50 0 CFAAMO O=C(CCC1CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932650 372354174 /nfs/dbraw/zinc/35/41/74/372354174.db2.gz AHIGYCUYHPZAMQ-OAHLLOKOSA-N 1 1 264.413 2.654 50 0 CFAAMO CC(C)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000029724118 372384412 /nfs/dbraw/zinc/38/44/12/372384412.db2.gz GOKHHDMJWZCTGD-UHFFFAOYSA-N 1 1 273.380 2.790 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000029725036 372384491 /nfs/dbraw/zinc/38/44/91/372384491.db2.gz XMUSHXGIVUPPRY-NSHDSACASA-N 1 1 283.375 2.686 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@H+]([C@H](C)C3CC3)C3CC3)nc12 ZINC000029725323 372384670 /nfs/dbraw/zinc/38/46/70/372384670.db2.gz QERJIPJQEDGOJM-CYBMUJFWSA-N 1 1 297.402 2.766 50 0 CFAAMO O=C1CC[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)N1 ZINC000032517821 372443217 /nfs/dbraw/zinc/44/32/17/372443217.db2.gz VFZOCWYZJVRKQE-JTQLQIEISA-N 1 1 275.739 2.579 50 0 CFAAMO Cc1cc(NC[C@@H]2Cc3ccccc3O2)nc(C)[nH+]1 ZINC000032825063 372466577 /nfs/dbraw/zinc/46/65/77/372466577.db2.gz WXKHDYJBHUQQTC-ZDUSSCGKSA-N 1 1 255.321 2.509 50 0 CFAAMO Cc1ccc(Cc2c(N)nc(-c3ccncc3)[nH+]c2N)cc1 ZINC000034150504 372504986 /nfs/dbraw/zinc/50/49/86/372504986.db2.gz ZDHSJHWYJXYXGK-UHFFFAOYSA-N 1 1 291.358 2.602 50 0 CFAAMO COc1cc2ccccc2cc1C1=NNC(=O)C1CCC[NH3+] ZINC000034792281 372513833 /nfs/dbraw/zinc/51/38/33/372513833.db2.gz RUYFZUFLMNZUHI-UHFFFAOYSA-N 1 1 297.358 2.835 50 0 CFAAMO COc1cc2ccccc2cc1-c1[nH][nH]c(=O)c1CCC[NH3+] ZINC000034792281 372513845 /nfs/dbraw/zinc/51/38/45/372513845.db2.gz RUYFZUFLMNZUHI-UHFFFAOYSA-N 1 1 297.358 2.835 50 0 CFAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COCC(C)C)CC2CC2)o1 ZINC000036098011 372557876 /nfs/dbraw/zinc/55/78/76/372557876.db2.gz CJWSKCNPBKFAQY-MRXNPFEDSA-N 1 1 295.423 2.834 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000036416369 372580823 /nfs/dbraw/zinc/58/08/23/372580823.db2.gz XPQBFKXAEHHWMA-VXGBXAGGSA-N 1 1 264.344 2.885 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000036416369 372580827 /nfs/dbraw/zinc/58/08/27/372580827.db2.gz XPQBFKXAEHHWMA-VXGBXAGGSA-N 1 1 264.344 2.885 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000036901572 372607990 /nfs/dbraw/zinc/60/79/90/372607990.db2.gz HONIAZFQJNPWIH-UHFFFAOYSA-N 1 1 254.337 2.532 50 0 CFAAMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000036907735 372610035 /nfs/dbraw/zinc/61/00/35/372610035.db2.gz WFPZAPNLWPQIOM-IOASZLSFSA-N 1 1 264.388 2.687 50 0 CFAAMO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(C)n1)CC2 ZINC000040497083 372784023 /nfs/dbraw/zinc/78/40/23/372784023.db2.gz AAXKGRUAFFQHPX-UHFFFAOYSA-N 1 1 299.374 2.673 50 0 CFAAMO CCCC[N@@H+](CC)C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000042289304 372899679 /nfs/dbraw/zinc/89/96/79/372899679.db2.gz KYNXUQSUVYANNZ-CQSZACIVSA-N 1 1 279.380 2.613 50 0 CFAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000042684506 372945460 /nfs/dbraw/zinc/94/54/60/372945460.db2.gz TUKGCVNJUUPUEN-OAHLLOKOSA-N 1 1 261.365 2.994 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000046878892 373065293 /nfs/dbraw/zinc/06/52/93/373065293.db2.gz AVQOSYPKWBCQLL-NSHDSACASA-N 1 1 298.789 2.941 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCc1ccsc1 ZINC000046859527 373065902 /nfs/dbraw/zinc/06/59/02/373065902.db2.gz KQJKOISHNBZZGF-CYBMUJFWSA-N 1 1 280.437 2.671 50 0 CFAAMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000053753420 373486217 /nfs/dbraw/zinc/48/62/17/373486217.db2.gz RNUKSOPVHKYAPR-LLVKDONJSA-N 1 1 297.349 2.818 50 0 CFAAMO COC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000053907065 373489091 /nfs/dbraw/zinc/48/90/91/373489091.db2.gz RDDGZMFTFSFXPC-LBPRGKRZSA-N 1 1 287.363 2.908 50 0 CFAAMO CC[C@H](CO)[N@@H+](Cc1cccc(O)c1)Cc1ccccn1 ZINC000055244079 373546754 /nfs/dbraw/zinc/54/67/54/373546754.db2.gz SXZLGXUGXOJFFI-MRXNPFEDSA-N 1 1 286.375 2.560 50 0 CFAAMO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(C)cc1C ZINC000058064329 373625014 /nfs/dbraw/zinc/62/50/14/373625014.db2.gz KRIUPKLGEWAJBD-AWEZNQCLSA-N 1 1 262.397 2.650 50 0 CFAAMO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C)cc1C ZINC000058064329 373625022 /nfs/dbraw/zinc/62/50/22/373625022.db2.gz KRIUPKLGEWAJBD-AWEZNQCLSA-N 1 1 262.397 2.650 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000058174940 373629954 /nfs/dbraw/zinc/62/99/54/373629954.db2.gz ZGFCNPQARNLFEX-LBPRGKRZSA-N 1 1 296.361 2.815 50 0 CFAAMO Cc1ccc2cc(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)[nH]c2c1 ZINC000058181387 373631442 /nfs/dbraw/zinc/63/14/42/373631442.db2.gz JJSGFJNESVTDTK-AWEZNQCLSA-N 1 1 299.418 2.936 50 0 CFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)C)c1 ZINC000058210359 373634141 /nfs/dbraw/zinc/63/41/41/373634141.db2.gz XVWDWNDGFBCNQK-UHFFFAOYSA-N 1 1 262.397 2.801 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1cccnc1 ZINC000058323031 373644746 /nfs/dbraw/zinc/64/47/46/373644746.db2.gz SPVVTEKNQDRFPB-CQSZACIVSA-N 1 1 287.388 2.919 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1cccnc1 ZINC000058323031 373644749 /nfs/dbraw/zinc/64/47/49/373644749.db2.gz SPVVTEKNQDRFPB-CQSZACIVSA-N 1 1 287.388 2.919 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc3ccccc3n2C)C1 ZINC000058343962 373648547 /nfs/dbraw/zinc/64/85/47/373648547.db2.gz IENFSTNEYKNHMP-CQSZACIVSA-N 1 1 299.418 2.638 50 0 CFAAMO CC[N@@H+](CCNC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000058341638 373648872 /nfs/dbraw/zinc/64/88/72/373648872.db2.gz UHDBGHRYMIFXPC-UHFFFAOYSA-N 1 1 281.787 2.946 50 0 CFAAMO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1 ZINC000057554314 373598036 /nfs/dbraw/zinc/59/80/36/373598036.db2.gz VMKZCMITJZECCG-KRWDZBQOSA-N 1 1 298.361 2.935 50 0 CFAAMO COCCC[N@@H+](C)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000059487492 373681949 /nfs/dbraw/zinc/68/19/49/373681949.db2.gz CXBIKNOJKYZTCZ-CYBMUJFWSA-N 1 1 291.313 2.707 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1F)c1ccco1 ZINC000060781769 373703125 /nfs/dbraw/zinc/70/31/25/373703125.db2.gz KMGXVPITYNCUDO-CYBMUJFWSA-N 1 1 294.301 2.591 50 0 CFAAMO COC(=O)CCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000062015333 373743331 /nfs/dbraw/zinc/74/33/31/373743331.db2.gz QQZRIHOSSPOWGO-NSHDSACASA-N 1 1 253.317 2.772 50 0 CFAAMO Oc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000062183978 373755311 /nfs/dbraw/zinc/75/53/11/373755311.db2.gz NAEPFXODRMQPLL-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO OCC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000062350372 373759565 /nfs/dbraw/zinc/75/95/65/373759565.db2.gz FKACIXYDVJEAQW-HUUCEWRRSA-N 1 1 283.799 2.610 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000063710354 373813224 /nfs/dbraw/zinc/81/32/24/373813224.db2.gz SEBFOJGFKLCDEP-DVQDXYAYSA-N 1 1 286.419 2.936 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000064249743 373821687 /nfs/dbraw/zinc/82/16/87/373821687.db2.gz HRRSOELPVYTLSQ-UHFFFAOYSA-N 1 1 266.772 2.508 50 0 CFAAMO Cc1c(C[N@@H+]2CCC[C@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000064543138 373826861 /nfs/dbraw/zinc/82/68/61/373826861.db2.gz UBUIAJUFVIVINH-LBPRGKRZSA-N 1 1 288.370 2.947 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc(-c2ccccc2Cl)no1 ZINC000064542878 373827224 /nfs/dbraw/zinc/82/72/24/373827224.db2.gz PFEIYANKKZHPJF-UHFFFAOYSA-N 1 1 274.711 2.943 50 0 CFAAMO O=C([C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCC1 ZINC000064552835 373828014 /nfs/dbraw/zinc/82/80/14/373828014.db2.gz KHTYGAPTGUOOLG-ZDUSSCGKSA-N 1 1 278.421 2.583 50 0 CFAAMO CC(C)[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 ZINC000064556788 373830547 /nfs/dbraw/zinc/83/05/47/373830547.db2.gz FGXDDDLSYJFLFP-UHFFFAOYSA-N 1 1 299.374 2.508 50 0 CFAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000065509109 373882221 /nfs/dbraw/zinc/88/22/21/373882221.db2.gz LXORQAOOIVKMME-NSHDSACASA-N 1 1 268.320 2.811 50 0 CFAAMO CCOC(=O)c1ccoc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000065550865 373886817 /nfs/dbraw/zinc/88/68/17/373886817.db2.gz YNKYYOGQLMSHOV-SNVBAGLBSA-N 1 1 251.326 2.687 50 0 CFAAMO CCc1[nH+]ccn1-c1ccc(CNC(=O)C2CCC2)cc1 ZINC000065201806 373848811 /nfs/dbraw/zinc/84/88/11/373848811.db2.gz FMFCUYITAHOPSE-UHFFFAOYSA-N 1 1 283.375 2.851 50 0 CFAAMO CC(C)[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCC(=O)N1 ZINC000065374903 373861224 /nfs/dbraw/zinc/86/12/24/373861224.db2.gz OKRHBWYYXXCNDY-YXMGTMDOSA-N 1 1 272.392 2.689 50 0 CFAAMO CC(=O)NCCCC1=CC[N@H+]([C@@H]2C=CCCC2)CC1 ZINC000065381915 373861384 /nfs/dbraw/zinc/86/13/84/373861384.db2.gz FGQNJJYJQGCYCL-MRXNPFEDSA-N 1 1 262.397 2.644 50 0 CFAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2ccc(CO)o2)c1 ZINC000065387971 373863825 /nfs/dbraw/zinc/86/38/25/373863825.db2.gz TWKXUSPBLHFVDD-GFCCVEGCSA-N 1 1 275.348 2.974 50 0 CFAAMO Clc1cnc(-c2ccccc2C[NH+]2CCOCC2)cn1 ZINC000065387972 373864312 /nfs/dbraw/zinc/86/43/12/373864312.db2.gz ZHXWVLBHSZOOAF-UHFFFAOYSA-N 1 1 289.766 2.629 50 0 CFAAMO COc1ccccc1[C@H](C)[N@H+](C)Cc1[nH]cnc1C ZINC000065395095 373864775 /nfs/dbraw/zinc/86/47/75/373864775.db2.gz FQSNEFLDOOAAIK-LBPRGKRZSA-N 1 1 259.353 2.920 50 0 CFAAMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1[nH]cnc1C ZINC000065395095 373864781 /nfs/dbraw/zinc/86/47/81/373864781.db2.gz FQSNEFLDOOAAIK-LBPRGKRZSA-N 1 1 259.353 2.920 50 0 CFAAMO C[N@@H+](CCn1ccc2ccccc21)Cc1ccc(CO)o1 ZINC000065406425 373869028 /nfs/dbraw/zinc/86/90/28/373869028.db2.gz CKNZTOCSFNHKMC-UHFFFAOYSA-N 1 1 284.359 2.859 50 0 CFAAMO CCc1nc(C)c(C[N@H+]2CCCC[C@H]2CCOC)[nH]1 ZINC000067772513 374001096 /nfs/dbraw/zinc/00/10/96/374001096.db2.gz PBWJYKGAYZSWDG-ZDUSSCGKSA-N 1 1 265.401 2.672 50 0 CFAAMO CC(C)NC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067935319 374015372 /nfs/dbraw/zinc/01/53/72/374015372.db2.gz GZFGYFSKPPLXCG-CQSZACIVSA-N 1 1 293.411 2.589 50 0 CFAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000067921005 374015814 /nfs/dbraw/zinc/01/58/14/374015814.db2.gz AZPPVBGUMYQEET-OAHLLOKOSA-N 1 1 292.398 2.791 50 0 CFAAMO Cc1cc(Cl)ccc1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000067603715 373987057 /nfs/dbraw/zinc/98/70/57/373987057.db2.gz OCKHMOVHIQCSOU-UONOGXRCSA-N 1 1 292.810 2.957 50 0 CFAAMO CCC1=NO[C@H](CNCc2nc3ccc(C)c(C)c3[nH]2)C1 ZINC000067713596 373993874 /nfs/dbraw/zinc/99/38/74/373993874.db2.gz RIPGGGAQJIDESC-ZDUSSCGKSA-N 1 1 286.379 2.824 50 0 CFAAMO CCC1=NO[C@H](C[NH2+]Cc2nc3c(ccc(C)c3C)[nH]2)C1 ZINC000067713596 373993880 /nfs/dbraw/zinc/99/38/80/373993880.db2.gz RIPGGGAQJIDESC-ZDUSSCGKSA-N 1 1 286.379 2.824 50 0 CFAAMO C[C@H](Cn1cccn1)[NH2+]Cc1cc(-c2cccs2)on1 ZINC000069371429 374057637 /nfs/dbraw/zinc/05/76/37/374057637.db2.gz KPTKNGBRTJJKKZ-LLVKDONJSA-N 1 1 288.376 2.778 50 0 CFAAMO C[N@H+]1CCC[C@H]1CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000069385620 374058147 /nfs/dbraw/zinc/05/81/47/374058147.db2.gz ACYBJYCTBVXVNL-AWEZNQCLSA-N 1 1 292.810 2.582 50 0 CFAAMO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000069417827 374061464 /nfs/dbraw/zinc/06/14/64/374061464.db2.gz PAYXOQCNESJZGV-HIFRSBDPSA-N 1 1 290.407 2.560 50 0 CFAAMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)N1CCC1 ZINC000069570236 374074674 /nfs/dbraw/zinc/07/46/74/374074674.db2.gz ICXSVNISWMULER-LBPRGKRZSA-N 1 1 280.799 2.955 50 0 CFAAMO c1cc(CC[N@@H+]2CCC[C@@H]2CN2CCCCC2)ccn1 ZINC000069561732 374075307 /nfs/dbraw/zinc/07/53/07/374075307.db2.gz QWUGMEUPMJEYSJ-QGZVFWFLSA-N 1 1 273.424 2.574 50 0 CFAAMO c1cc(CC[N@H+]2CCC[C@@H]2CN2CCCCC2)ccn1 ZINC000069561732 374075313 /nfs/dbraw/zinc/07/53/13/374075313.db2.gz QWUGMEUPMJEYSJ-QGZVFWFLSA-N 1 1 273.424 2.574 50 0 CFAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000070020983 374116694 /nfs/dbraw/zinc/11/66/94/374116694.db2.gz PIPWJUQTLLYDKF-AUNFYEFLSA-N 1 1 282.391 2.704 50 0 CFAAMO Cc1csc(N2CC[N@@H+](Cc3cccnc3)C[C@@H]2C)n1 ZINC000070039934 374117660 /nfs/dbraw/zinc/11/76/60/374117660.db2.gz VVRWUYNBXFDQGL-ZDUSSCGKSA-N 1 1 288.420 2.557 50 0 CFAAMO Cc1csc(N2CC[N@H+](Cc3cccnc3)C[C@@H]2C)n1 ZINC000070039934 374117666 /nfs/dbraw/zinc/11/76/66/374117666.db2.gz VVRWUYNBXFDQGL-ZDUSSCGKSA-N 1 1 288.420 2.557 50 0 CFAAMO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000069669088 374085498 /nfs/dbraw/zinc/08/54/98/374085498.db2.gz FCOWONSYFCSFMR-OAHLLOKOSA-N 1 1 289.354 2.905 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000069669088 374085503 /nfs/dbraw/zinc/08/55/03/374085503.db2.gz FCOWONSYFCSFMR-OAHLLOKOSA-N 1 1 289.354 2.905 50 0 CFAAMO COc1ccccc1CC[N@@H+](C)Cc1c(C)noc1C ZINC000069772925 374095613 /nfs/dbraw/zinc/09/56/13/374095613.db2.gz JRLIDGOMOJOZNP-UHFFFAOYSA-N 1 1 274.364 2.975 50 0 CFAAMO c1cnn(C[C@H]2CCCC[N@@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875217 374227499 /nfs/dbraw/zinc/22/74/99/374227499.db2.gz MRDZZVOCBHRBRN-MRXNPFEDSA-N 1 1 295.390 2.586 50 0 CFAAMO c1cnn(C[C@H]2CCCC[N@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875217 374227508 /nfs/dbraw/zinc/22/75/08/374227508.db2.gz MRDZZVOCBHRBRN-MRXNPFEDSA-N 1 1 295.390 2.586 50 0 CFAAMO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000071859645 374227938 /nfs/dbraw/zinc/22/79/38/374227938.db2.gz DEAMIVUJYJWPJY-ZDUSSCGKSA-N 1 1 296.378 2.650 50 0 CFAAMO COC(=O)/C(C)=C/C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000072309073 374243142 /nfs/dbraw/zinc/24/31/42/374243142.db2.gz UODPEXMWVDODGJ-HBIYDYFMSA-N 1 1 259.349 2.725 50 0 CFAAMO COC(=O)/C(C)=C/C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000072309074 374244281 /nfs/dbraw/zinc/24/42/81/374244281.db2.gz UODPEXMWVDODGJ-PABFRNLHSA-N 1 1 259.349 2.725 50 0 CFAAMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2nccn2C)c1 ZINC000075838394 374505771 /nfs/dbraw/zinc/50/57/71/374505771.db2.gz NZJVYQKOQCOEPS-MRXNPFEDSA-N 1 1 284.407 2.823 50 0 CFAAMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2nccn2C)c1 ZINC000075838394 374505774 /nfs/dbraw/zinc/50/57/74/374505774.db2.gz NZJVYQKOQCOEPS-MRXNPFEDSA-N 1 1 284.407 2.823 50 0 CFAAMO c1ncn(CC[N@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000075968339 374515456 /nfs/dbraw/zinc/51/54/56/374515456.db2.gz BDAKPPGTFUADFE-UHFFFAOYSA-N 1 1 262.401 2.715 50 0 CFAAMO COC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000076040534 374525377 /nfs/dbraw/zinc/52/53/77/374525377.db2.gz BWZYZKZKNYDDJS-HOTGVXAUSA-N 1 1 263.381 2.529 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2SC)cc1 ZINC000076147385 374536944 /nfs/dbraw/zinc/53/69/44/374536944.db2.gz IZCUKMUINVPBRC-GJZGRUSLSA-N 1 1 292.448 2.762 50 0 CFAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947876 374577386 /nfs/dbraw/zinc/57/73/86/374577386.db2.gz HKULEZPUFWSDOV-KGLIPLIRSA-N 1 1 265.426 2.891 50 0 CFAAMO COC[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(C)o1 ZINC000081009609 374681030 /nfs/dbraw/zinc/68/10/30/374681030.db2.gz QYGZBQFJTMCKCY-LBPRGKRZSA-N 1 1 261.325 2.794 50 0 CFAAMO COc1ccccc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000082097912 374726344 /nfs/dbraw/zinc/72/63/44/374726344.db2.gz LGSDAHKEYZLAHI-HNNXBMFYSA-N 1 1 285.391 2.808 50 0 CFAAMO CCCN1CCC([NH2+][C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000087709188 374827374 /nfs/dbraw/zinc/82/73/74/374827374.db2.gz GPACHYKNZQBJDA-HOTGVXAUSA-N 1 1 280.456 2.798 50 0 CFAAMO OC[C@H]1CCCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000084459296 374778600 /nfs/dbraw/zinc/77/86/00/374778600.db2.gz ZJPNRIKCFLCMQI-LLVKDONJSA-N 1 1 262.740 2.849 50 0 CFAAMO c1ccc(OCC[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000084556828 374781124 /nfs/dbraw/zinc/78/11/24/374781124.db2.gz NQCQSUFEBHVVPU-KRWDZBQOSA-N 1 1 284.359 2.614 50 0 CFAAMO Cn1nncc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000089802184 374953046 /nfs/dbraw/zinc/95/30/46/374953046.db2.gz BJMONIFDSRSOIL-UHFFFAOYSA-N 1 1 292.333 2.652 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1Cl ZINC000089895447 374966704 /nfs/dbraw/zinc/96/67/04/374966704.db2.gz KVOHADLANLVMFK-SNVBAGLBSA-N 1 1 257.761 2.551 50 0 CFAAMO C[C@H]1C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000089922001 374968720 /nfs/dbraw/zinc/96/87/20/374968720.db2.gz CYKZBLNMJRSHMZ-JSGCOSHPSA-N 1 1 290.432 2.830 50 0 CFAAMO NC(=O)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)o1 ZINC000090179042 374999063 /nfs/dbraw/zinc/99/90/63/374999063.db2.gz QYSRKYZWPQSXBX-LLVKDONJSA-N 1 1 276.361 2.607 50 0 CFAAMO C[C@H]1C[N@H+](C)CCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000089937920 374973140 /nfs/dbraw/zinc/97/31/40/374973140.db2.gz PRQGLDNJLOLKDT-AWEZNQCLSA-N 1 1 299.418 2.653 50 0 CFAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000089937920 374973148 /nfs/dbraw/zinc/97/31/48/374973148.db2.gz PRQGLDNJLOLKDT-AWEZNQCLSA-N 1 1 299.418 2.653 50 0 CFAAMO COc1c(C[N@@H+](C)[C@H](C)Cc2cccs2)c(C)nn1C ZINC000093706063 375301455 /nfs/dbraw/zinc/30/14/55/375301455.db2.gz FLGRXKOKDMFDSH-LLVKDONJSA-N 1 1 293.436 2.862 50 0 CFAAMO CCSC[C@@H](C)[N@@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000093739421 375304904 /nfs/dbraw/zinc/30/49/04/375304904.db2.gz KJOHDYWHIZPTEB-CYBMUJFWSA-N 1 1 292.452 2.920 50 0 CFAAMO COc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506959 375258004 /nfs/dbraw/zinc/25/80/04/375258004.db2.gz NGHYVUFFYNSIIJ-ZBFHGGJFSA-N 1 1 261.365 2.696 50 0 CFAAMO Cc1ccc2ncc(C[N@@H+](C)Cc3cccn3C)n2c1 ZINC000093584947 375270194 /nfs/dbraw/zinc/27/01/94/375270194.db2.gz JOVSTHTYANBYKC-UHFFFAOYSA-N 1 1 268.364 2.613 50 0 CFAAMO Cc1ccc2ncc(C[N@H+](C)Cc3cccn3C)n2c1 ZINC000093584947 375270195 /nfs/dbraw/zinc/27/01/95/375270195.db2.gz JOVSTHTYANBYKC-UHFFFAOYSA-N 1 1 268.364 2.613 50 0 CFAAMO O=C(NCC1=CCCCC1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095372842 375423560 /nfs/dbraw/zinc/42/35/60/375423560.db2.gz IFLRSCHMEJZHOM-KRWDZBQOSA-N 1 1 299.418 2.835 50 0 CFAAMO Cc1cccc([C@H](C(=O)NCc2ccoc2)[NH+](C)C)c1 ZINC000095370672 375424029 /nfs/dbraw/zinc/42/40/29/375424029.db2.gz INXJIQXYMUYKMK-OAHLLOKOSA-N 1 1 272.348 2.507 50 0 CFAAMO COc1cccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000095381376 375426371 /nfs/dbraw/zinc/42/63/71/375426371.db2.gz IQMPXMGBHZKNFU-HNNXBMFYSA-N 1 1 290.407 2.576 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(F)c1 ZINC000095382620 375426870 /nfs/dbraw/zinc/42/68/70/375426870.db2.gz QPVJTNKIMCPJBS-OAHLLOKOSA-N 1 1 278.371 2.706 50 0 CFAAMO COc1cccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000095381375 375427358 /nfs/dbraw/zinc/42/73/58/375427358.db2.gz IQMPXMGBHZKNFU-OAHLLOKOSA-N 1 1 290.407 2.576 50 0 CFAAMO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCc2nc[nH]c2C1 ZINC000095388073 375428085 /nfs/dbraw/zinc/42/80/85/375428085.db2.gz CWTCDHPXXZBULR-ZDUSSCGKSA-N 1 1 279.428 2.735 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](Cc1cccnc1)CC2 ZINC000095388597 375428284 /nfs/dbraw/zinc/42/82/84/375428284.db2.gz XVACKXOLRJGORT-UHFFFAOYSA-N 1 1 268.360 2.691 50 0 CFAAMO c1cncc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000095388436 375428689 /nfs/dbraw/zinc/42/86/89/375428689.db2.gz VFQQYWFYOFHVIH-ZWKOTPCHSA-N 1 1 285.435 2.778 50 0 CFAAMO CC(C)c1cc(N2CCC[C@]3(CC[N@@H+](C)C3)C2)ncn1 ZINC000095388108 375428848 /nfs/dbraw/zinc/42/88/48/375428848.db2.gz UKTCJWKGPWOXOJ-MRXNPFEDSA-N 1 1 274.412 2.522 50 0 CFAAMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCN2CCOC2=O)C1 ZINC000096441535 375486316 /nfs/dbraw/zinc/48/63/16/375486316.db2.gz JWIACOQJQILTOG-WFASDCNBSA-N 1 1 292.354 2.661 50 0 CFAAMO CC[C@H]([NH2+]CC(=O)N1CCCCCC1)c1c(C)noc1C ZINC000097111097 375521210 /nfs/dbraw/zinc/52/12/10/375521210.db2.gz HQNSUHOJPMFADG-AWEZNQCLSA-N 1 1 293.411 2.735 50 0 CFAAMO C[C@H]([NH2+]CC1OCCO1)c1nc(-c2ccccc2)cs1 ZINC000097112178 375523529 /nfs/dbraw/zinc/52/35/29/375523529.db2.gz OSFHRYIWLQKPOJ-NSHDSACASA-N 1 1 290.388 2.834 50 0 CFAAMO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccncc1 ZINC000097113741 375524788 /nfs/dbraw/zinc/52/47/88/375524788.db2.gz MLEVYEWHXACZSU-UHFFFAOYSA-N 1 1 272.396 2.572 50 0 CFAAMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccncc1 ZINC000097113741 375524792 /nfs/dbraw/zinc/52/47/92/375524792.db2.gz MLEVYEWHXACZSU-UHFFFAOYSA-N 1 1 272.396 2.572 50 0 CFAAMO Cc1n[nH]c(C)c1CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000097140108 375528821 /nfs/dbraw/zinc/52/88/21/375528821.db2.gz DTENZIZQEMKXPA-GOSISDBHSA-N 1 1 298.434 2.953 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC=CC1 ZINC000097378877 375556313 /nfs/dbraw/zinc/55/63/13/375556313.db2.gz PPQZYQWXXYHCCV-PBHICJAKSA-N 1 1 284.403 2.589 50 0 CFAAMO [NH3+][C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097413393 375558621 /nfs/dbraw/zinc/55/86/21/375558621.db2.gz OGLQAFXYTBODCH-GFCCVEGCSA-N 1 1 288.313 2.898 50 0 CFAAMO C[N@H+]1CCCC[C@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000097425683 375558664 /nfs/dbraw/zinc/55/86/64/375558664.db2.gz SLOLPXGMPAFNJL-KRWDZBQOSA-N 1 1 299.418 2.632 50 0 CFAAMO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097655503 375575270 /nfs/dbraw/zinc/57/52/70/375575270.db2.gz XVISUGFYYLUPHG-QGZVFWFLSA-N 1 1 298.434 2.788 50 0 CFAAMO C[NH+](C)[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097655504 375575360 /nfs/dbraw/zinc/57/53/60/375575360.db2.gz XVISUGFYYLUPHG-KRWDZBQOSA-N 1 1 298.434 2.788 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC000097638052 375575522 /nfs/dbraw/zinc/57/55/22/375575522.db2.gz VDXCNTMALPYFDL-AWEZNQCLSA-N 1 1 299.374 2.556 50 0 CFAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c[nH]1 ZINC000257284140 190026471 /nfs/dbraw/zinc/02/64/71/190026471.db2.gz PBJDOOSYFVIZIG-CQSZACIVSA-N 1 1 299.422 2.922 50 0 CFAAMO CCCCc1nc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c[nH]1 ZINC000257284140 190026472 /nfs/dbraw/zinc/02/64/72/190026472.db2.gz PBJDOOSYFVIZIG-CQSZACIVSA-N 1 1 299.422 2.922 50 0 CFAAMO CC(C)OC(=O)CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125537618 377168447 /nfs/dbraw/zinc/16/84/47/377168447.db2.gz HXVDMPFLQQVXAF-CQSZACIVSA-N 1 1 262.353 2.560 50 0 CFAAMO CC(C)COC[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000170599666 379124726 /nfs/dbraw/zinc/12/47/26/379124726.db2.gz PGFVWSUKTALBPE-OLZOCXBDSA-N 1 1 283.437 2.701 50 0 CFAAMO Cc1ncsc1CC[N@@H+](C)Cc1cscn1 ZINC000172529930 379591632 /nfs/dbraw/zinc/59/16/32/379591632.db2.gz OOLJXHVBJRWUMZ-UHFFFAOYSA-N 1 1 253.396 2.583 50 0 CFAAMO Cc1ncsc1CC[N@H+](C)Cc1cscn1 ZINC000172529930 379591639 /nfs/dbraw/zinc/59/16/39/379591639.db2.gz OOLJXHVBJRWUMZ-UHFFFAOYSA-N 1 1 253.396 2.583 50 0 CFAAMO CN1C[C@@H](CC[N@@H+]2CC=C(c3ccccc3)CC2)OC1=O ZINC000000000304 169502389 /nfs/dbraw/zinc/50/23/89/169502389.db2.gz YUORBURTMIUPMW-MRXNPFEDSA-N 1 1 286.375 2.616 50 0 in-man CFAAMO CCc1ccc([C@H](COC)[NH2+]Cc2cnc3ccccn23)o1 ZINC000174476265 379893731 /nfs/dbraw/zinc/89/37/31/379893731.db2.gz NOPNPDFCENWJMO-HNNXBMFYSA-N 1 1 299.374 2.967 50 0 CFAAMO CCc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000178594427 380468389 /nfs/dbraw/zinc/46/83/89/380468389.db2.gz NPTYETINDBWZEU-UHFFFAOYSA-N 1 1 275.392 2.630 50 0 CFAAMO CN(C)c1nc(N2CCC(CC(F)(F)F)CC2)cc[nH+]1 ZINC000343146160 381664187 /nfs/dbraw/zinc/66/41/87/381664187.db2.gz FBZSUJLZVXZAEW-UHFFFAOYSA-N 1 1 288.317 2.711 50 0 CFAAMO CCn1nccc1C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000185677603 381702560 /nfs/dbraw/zinc/70/25/60/381702560.db2.gz JRVQEXNSISNPRF-HNNXBMFYSA-N 1 1 289.379 2.980 50 0 CFAAMO CCn1nccc1C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000185677603 381702565 /nfs/dbraw/zinc/70/25/65/381702565.db2.gz JRVQEXNSISNPRF-HNNXBMFYSA-N 1 1 289.379 2.980 50 0 CFAAMO OC[C@H]1CCCC[N@@H+](Cc2sccc2Cl)C1 ZINC000373256260 381962984 /nfs/dbraw/zinc/96/29/84/381962984.db2.gz AIFOJMSDHJAXMM-JTQLQIEISA-N 1 1 259.802 2.996 50 0 CFAAMO Cc1ccccc1C[N@@H+](CCn1cccn1)C[C@H]1CCCO1 ZINC000299766935 382044298 /nfs/dbraw/zinc/04/42/98/382044298.db2.gz DXMOXOPJPNBYDP-GOSISDBHSA-N 1 1 299.418 2.873 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCN1CC(Oc2ccccc2F)C1 ZINC000299780357 382046159 /nfs/dbraw/zinc/04/61/59/382046159.db2.gz KVRFQIRLZASICI-AWEZNQCLSA-N 1 1 292.398 2.763 50 0 CFAAMO CC1=CC[N@@H+](C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299792627 382048292 /nfs/dbraw/zinc/04/82/92/382048292.db2.gz FYOITVLBQBTHAM-HNNXBMFYSA-N 1 1 270.376 2.692 50 0 CFAAMO COCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299789482 382048893 /nfs/dbraw/zinc/04/88/93/382048893.db2.gz YCNOUBBPRXGTFF-ZNMIVQPWSA-N 1 1 299.374 2.909 50 0 CFAAMO CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC000188962020 382512287 /nfs/dbraw/zinc/51/22/87/382512287.db2.gz OHTMGXMSENDZNW-ROUUACIJSA-N 1 1 294.483 2.999 50 0 CFAAMO COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000328596051 382551531 /nfs/dbraw/zinc/55/15/31/382551531.db2.gz POITZLWPEFUURS-LPEHRKFASA-N 1 1 285.290 2.714 50 0 CFAAMO COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000328596051 382551533 /nfs/dbraw/zinc/55/15/33/382551533.db2.gz POITZLWPEFUURS-LPEHRKFASA-N 1 1 285.290 2.714 50 0 CFAAMO C[C@H]1CC[N@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000390835074 382619671 /nfs/dbraw/zinc/61/96/71/382619671.db2.gz CCDQOCXZUHTZMX-KBPBESRZSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000390835074 382619672 /nfs/dbraw/zinc/61/96/72/382619672.db2.gz CCDQOCXZUHTZMX-KBPBESRZSA-N 1 1 256.459 2.688 50 0 CFAAMO Cn1cc(Cl)cc1C[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000193065829 382715221 /nfs/dbraw/zinc/71/52/21/382715221.db2.gz RFDZLDOCUZOQQQ-AWEZNQCLSA-N 1 1 286.803 2.654 50 0 CFAAMO Cc1c[nH]nc1C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000215653532 382779620 /nfs/dbraw/zinc/77/96/20/382779620.db2.gz CNHLNCGHFCZOEJ-UHFFFAOYSA-N 1 1 295.390 2.974 50 0 CFAAMO CCc1ccc(C[N@H+](C)Cc2ccc(OC)nc2)nc1 ZINC000215774940 382780385 /nfs/dbraw/zinc/78/03/85/382780385.db2.gz HPONLGLMGVXHSK-UHFFFAOYSA-N 1 1 271.364 2.680 50 0 CFAAMO CCc1ccc(C[N@@H+](C)Cc2ccc(OC)nc2)nc1 ZINC000215774940 382780387 /nfs/dbraw/zinc/78/03/87/382780387.db2.gz HPONLGLMGVXHSK-UHFFFAOYSA-N 1 1 271.364 2.680 50 0 CFAAMO O[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc4ccccc4c3)c2)C1 ZINC000215810402 382780906 /nfs/dbraw/zinc/78/09/06/382780906.db2.gz HRGRBZLGALDAMB-GOSISDBHSA-N 1 1 293.370 2.592 50 0 CFAAMO COc1cc2c(cc1C[N@@H+](C)CCn1ccnc1)CCC2 ZINC000215874485 382780951 /nfs/dbraw/zinc/78/09/51/382780951.db2.gz GKBSFHRDAQBWER-UHFFFAOYSA-N 1 1 285.391 2.512 50 0 CFAAMO CCCCSc1ncc(C[N@@H+]2CCC[C@H](OC)C2)cn1 ZINC000215999735 382781255 /nfs/dbraw/zinc/78/12/55/382781255.db2.gz UFZSKIRCWLOUHR-AWEZNQCLSA-N 1 1 295.452 2.980 50 0 CFAAMO CCCCSc1ncc(C[N@H+]2CCC[C@H](OC)C2)cn1 ZINC000215999735 382781257 /nfs/dbraw/zinc/78/12/57/382781257.db2.gz UFZSKIRCWLOUHR-AWEZNQCLSA-N 1 1 295.452 2.980 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2ccc3cccc(OC)c3n2)C1 ZINC000215957598 382781325 /nfs/dbraw/zinc/78/13/25/382781325.db2.gz DFZMJJJXTMTPDO-ZDUSSCGKSA-N 1 1 286.375 2.712 50 0 CFAAMO CC[N@@H+]1CC[C@@H](CN(C)Cc2cccc3cc[nH]c32)C1 ZINC000215893872 382781412 /nfs/dbraw/zinc/78/14/12/382781412.db2.gz QAOAHNSIJLNRCB-AWEZNQCLSA-N 1 1 271.408 2.942 50 0 CFAAMO CC[N@H+]1CC[C@@H](CN(C)Cc2cccc3cc[nH]c32)C1 ZINC000215893872 382781413 /nfs/dbraw/zinc/78/14/13/382781413.db2.gz QAOAHNSIJLNRCB-AWEZNQCLSA-N 1 1 271.408 2.942 50 0 CFAAMO OC[C@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1F ZINC000216156241 382782149 /nfs/dbraw/zinc/78/21/49/382782149.db2.gz XOQWDJHOFZRZTE-LLVKDONJSA-N 1 1 273.298 2.841 50 0 CFAAMO OC[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1F ZINC000216156241 382782150 /nfs/dbraw/zinc/78/21/50/382782150.db2.gz XOQWDJHOFZRZTE-LLVKDONJSA-N 1 1 273.298 2.841 50 0 CFAAMO Cc1cc(C[N@@H+](C)CC[C@@H](O)c2ccccc2)on1 ZINC000216375751 382783045 /nfs/dbraw/zinc/78/30/45/382783045.db2.gz HSGZSSURWLHSFZ-OAHLLOKOSA-N 1 1 260.337 2.539 50 0 CFAAMO COc1cc(Cl)c(C[N@@H+]2CCCC[C@H]2CO)cc1OC ZINC000216494578 382783707 /nfs/dbraw/zinc/78/37/07/382783707.db2.gz QXMVAADDDXNHLM-LBPRGKRZSA-N 1 1 299.798 2.704 50 0 CFAAMO COc1cc(Cl)c(C[N@H+]2CCCC[C@H]2CO)cc1OC ZINC000216494578 382783709 /nfs/dbraw/zinc/78/37/09/382783709.db2.gz QXMVAADDDXNHLM-LBPRGKRZSA-N 1 1 299.798 2.704 50 0 CFAAMO Cc1ccc(C(=O)NCCc2[nH+]cc(C)n2C2CC2)s1 ZINC000575316233 382757729 /nfs/dbraw/zinc/75/77/29/382757729.db2.gz ASKYMIRZPISBFK-UHFFFAOYSA-N 1 1 289.404 2.869 50 0 CFAAMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc2c(c1)CCCC2 ZINC000221248702 382797727 /nfs/dbraw/zinc/79/77/27/382797727.db2.gz SZVFLHHOXPBQDC-KRWDZBQOSA-N 1 1 286.419 2.732 50 0 CFAAMO CC(C)(C)[N@@H+](C/C=C\c1ccccc1)CCS(C)(=O)=O ZINC000222126629 382801232 /nfs/dbraw/zinc/80/12/32/382801232.db2.gz APDZKYBHTAKJEW-FLIBITNWSA-N 1 1 295.448 2.845 50 0 CFAAMO CC(C)(C)[N@H+](C/C=C\c1ccccc1)CCS(C)(=O)=O ZINC000222126629 382801233 /nfs/dbraw/zinc/80/12/33/382801233.db2.gz APDZKYBHTAKJEW-FLIBITNWSA-N 1 1 295.448 2.845 50 0 CFAAMO Cc1cc(C)c(C[N@@H+]2CCCN(C)CC2)c(-n2cccn2)c1 ZINC000223590646 382805749 /nfs/dbraw/zinc/80/57/49/382805749.db2.gz OPZFDTCRRWWQSG-UHFFFAOYSA-N 1 1 298.434 2.627 50 0 CFAAMO Cc1cc(C)c(CN2CCC[N@@H+](C)CC2)c(-n2cccn2)c1 ZINC000223590646 382805750 /nfs/dbraw/zinc/80/57/50/382805750.db2.gz OPZFDTCRRWWQSG-UHFFFAOYSA-N 1 1 298.434 2.627 50 0 CFAAMO Cc1cc(C)c(CN2CCC[N@H+](C)CC2)c(-n2cccn2)c1 ZINC000223590646 382805753 /nfs/dbraw/zinc/80/57/53/382805753.db2.gz OPZFDTCRRWWQSG-UHFFFAOYSA-N 1 1 298.434 2.627 50 0 CFAAMO FC(F)C(F)(F)COCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000225546749 382818171 /nfs/dbraw/zinc/81/81/71/382818171.db2.gz KSWFZTMWTSQSRD-UHFFFAOYSA-N 1 1 299.308 2.548 50 0 CFAAMO FC(F)C(F)(F)COCC[N@H+]1CCOC2(CCCC2)C1 ZINC000225546749 382818173 /nfs/dbraw/zinc/81/81/73/382818173.db2.gz KSWFZTMWTSQSRD-UHFFFAOYSA-N 1 1 299.308 2.548 50 0 CFAAMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229226135 382851063 /nfs/dbraw/zinc/85/10/63/382851063.db2.gz ICTIAHMQDNNUBO-VHSXEESVSA-N 1 1 280.334 2.564 50 0 CFAAMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229226135 382851064 /nfs/dbraw/zinc/85/10/64/382851064.db2.gz ICTIAHMQDNNUBO-VHSXEESVSA-N 1 1 280.334 2.564 50 0 CFAAMO CC(C)[C@H](C(=O)OCC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000225857116 382823034 /nfs/dbraw/zinc/82/30/34/382823034.db2.gz LOLZQKMCQYBGNA-OAHLLOKOSA-N 1 1 296.455 2.524 50 0 CFAAMO CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720093 382852897 /nfs/dbraw/zinc/85/28/97/382852897.db2.gz BTRGSDZEZVINML-GDBMZVCRSA-N 1 1 274.408 2.733 50 0 CFAAMO NC(=O)CC[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000535083749 382952609 /nfs/dbraw/zinc/95/26/09/382952609.db2.gz ZCCXGUJHQOOWDA-BGGTVIOKSA-N 1 1 290.382 2.816 50 0 CFAAMO CCN(CCC[NH+]1CCOCC1)c1ccc2[nH]ccc2c1 ZINC000242389215 382985380 /nfs/dbraw/zinc/98/53/80/382985380.db2.gz ZVGAWQWNCFEJIW-UHFFFAOYSA-N 1 1 287.407 2.717 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCSc1nc(=O)ccn1C1CC1 ZINC000242302078 382985615 /nfs/dbraw/zinc/98/56/15/382985615.db2.gz YPIWXGLXOPEAFO-LBPRGKRZSA-N 1 1 293.436 2.545 50 0 CFAAMO O[C@@]1(c2ccccc2)CC[N@@H+](CCCc2ccco2)C1 ZINC000244602107 382989733 /nfs/dbraw/zinc/98/97/33/382989733.db2.gz DXPQVKYKVPRUCH-KRWDZBQOSA-N 1 1 271.360 2.806 50 0 CFAAMO CCn1ccc(C[N@@H+](C)[C@H](C)Cc2ncccc2C)n1 ZINC000244719011 382990819 /nfs/dbraw/zinc/99/08/19/382990819.db2.gz LUYGLLLKFNYOJE-CQSZACIVSA-N 1 1 272.396 2.669 50 0 CFAAMO COc1ccccc1OCCC[N@H+]1CCCO[C@H](C)C1 ZINC000244691849 382991846 /nfs/dbraw/zinc/99/18/46/382991846.db2.gz JKAJZAKJRFQJLP-CQSZACIVSA-N 1 1 279.380 2.575 50 0 CFAAMO Cc1nc(CN(C)C[C@@]2(c3ccccc3)CC2(C)C)n[nH]1 ZINC000244795786 382993196 /nfs/dbraw/zinc/99/31/96/382993196.db2.gz RNORZTQCRGSCIV-QGZVFWFLSA-N 1 1 284.407 2.913 50 0 CFAAMO Cc1nnc(C[N@@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000244795786 382993199 /nfs/dbraw/zinc/99/31/99/382993199.db2.gz RNORZTQCRGSCIV-QGZVFWFLSA-N 1 1 284.407 2.913 50 0 CFAAMO Cc1nnc(C[N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000244795786 382993205 /nfs/dbraw/zinc/99/32/05/382993205.db2.gz RNORZTQCRGSCIV-QGZVFWFLSA-N 1 1 284.407 2.913 50 0 CFAAMO C[N@@H+](CCn1ccc2ccccc21)C[C@H]1CCCOC1 ZINC000244899507 382994637 /nfs/dbraw/zinc/99/46/37/382994637.db2.gz ZKVYWUVQAMVHEU-OAHLLOKOSA-N 1 1 272.392 3.000 50 0 CFAAMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000584908313 383114154 /nfs/dbraw/zinc/11/41/54/383114154.db2.gz CDMRKCCDCBYMCX-GFCCVEGCSA-N 1 1 287.329 2.922 50 0 CFAAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000584908313 383114159 /nfs/dbraw/zinc/11/41/59/383114159.db2.gz CDMRKCCDCBYMCX-GFCCVEGCSA-N 1 1 287.329 2.922 50 0 CFAAMO CCOCC[N@H+]1CCN(C/C=C/c2ccccc2)C[C@H]1C ZINC000247217754 383154220 /nfs/dbraw/zinc/15/42/20/383154220.db2.gz QGSPMAVROBEOBD-PYUISTEWSA-N 1 1 288.435 2.742 50 0 CFAAMO COCCN1CC[N@H+]([C@H](C)CCc2ccccc2)C[C@H]1C ZINC000247388755 383169126 /nfs/dbraw/zinc/16/91/26/383169126.db2.gz WVOWAMIWMAHPIN-IAGOWNOFSA-N 1 1 290.451 2.660 50 0 CFAAMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000249050955 383321976 /nfs/dbraw/zinc/32/19/76/383321976.db2.gz OHMOVNCMRHZCMP-UONOGXRCSA-N 1 1 292.448 2.519 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249062791 383323520 /nfs/dbraw/zinc/32/35/20/383323520.db2.gz IEDCSKIRYDVMMG-UAGQMJEPSA-N 1 1 278.440 2.779 50 0 CFAAMO OCCn1ccc([C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)n1 ZINC000426530553 383404142 /nfs/dbraw/zinc/40/41/42/383404142.db2.gz SYGFTLLKQLPSFZ-MRXNPFEDSA-N 1 1 289.423 2.555 50 0 CFAAMO Clc1ccccc1N1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000426716827 383410075 /nfs/dbraw/zinc/41/00/75/383410075.db2.gz GRIKRMAPOOFODY-CQSZACIVSA-N 1 1 293.842 2.650 50 0 CFAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)CCn2cc(Cl)cn2)c1 ZINC000252479793 383410780 /nfs/dbraw/zinc/41/07/80/383410780.db2.gz BMWCLUNWLFOARS-ZDUSSCGKSA-N 1 1 292.814 2.803 50 0 CFAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)CCn2cc(Cl)cn2)c1 ZINC000252479792 383410885 /nfs/dbraw/zinc/41/08/85/383410885.db2.gz BMWCLUNWLFOARS-CYBMUJFWSA-N 1 1 292.814 2.803 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000249684613 383355991 /nfs/dbraw/zinc/35/59/91/383355991.db2.gz DTVAILRFEDWXBT-ZIAGYGMSSA-N 1 1 295.814 2.757 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000249702888 383356486 /nfs/dbraw/zinc/35/64/86/383356486.db2.gz ZHIJIYHYIJUCJB-BZUAXINKSA-N 1 1 276.424 2.818 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccs1 ZINC000249700018 383356586 /nfs/dbraw/zinc/35/65/86/383356586.db2.gz XEOLJAKNIMBNBW-CHWSQXEVSA-N 1 1 278.421 2.837 50 0 CFAAMO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000252499321 383414077 /nfs/dbraw/zinc/41/40/77/383414077.db2.gz RYTIUXYKYDKPNQ-LBPRGKRZSA-N 1 1 286.379 2.713 50 0 CFAAMO Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000252499321 383414082 /nfs/dbraw/zinc/41/40/82/383414082.db2.gz RYTIUXYKYDKPNQ-LBPRGKRZSA-N 1 1 286.379 2.713 50 0 CFAAMO CCn1nccc1CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000253421263 383458802 /nfs/dbraw/zinc/45/88/02/383458802.db2.gz UCYCLFRXKJEMJG-OAHLLOKOSA-N 1 1 291.420 2.581 50 0 CFAAMO CCn1nccc1CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000253421263 383458809 /nfs/dbraw/zinc/45/88/09/383458809.db2.gz UCYCLFRXKJEMJG-OAHLLOKOSA-N 1 1 291.420 2.581 50 0 CFAAMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nccc(N)n2)c1 ZINC000253427247 383458925 /nfs/dbraw/zinc/45/89/25/383458925.db2.gz XZWFACYWXOGZGQ-DOMZBBRYSA-N 1 1 298.390 2.651 50 0 CFAAMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nccc(N)n2)c1 ZINC000253427247 383458928 /nfs/dbraw/zinc/45/89/28/383458928.db2.gz XZWFACYWXOGZGQ-DOMZBBRYSA-N 1 1 298.390 2.651 50 0 CFAAMO CCS[C@@H]1CCCC[N@@H+](CC2(C(=O)OC)CC2)C1 ZINC000253425568 383459068 /nfs/dbraw/zinc/45/90/68/383459068.db2.gz UWBCDKYINAWJCZ-GFCCVEGCSA-N 1 1 271.426 2.547 50 0 CFAAMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000252537377 383417938 /nfs/dbraw/zinc/41/79/38/383417938.db2.gz KZZJTMLMGYGYIT-CVEARBPZSA-N 1 1 275.392 2.921 50 0 CFAAMO CCC(=O)N1CC[C@@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000257185086 383491834 /nfs/dbraw/zinc/49/18/34/383491834.db2.gz WAGGYSYLBZRHON-ZDUSSCGKSA-N 1 1 263.385 2.573 50 0 CFAAMO CCNC(=O)N1CCC[C@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000257187937 383492433 /nfs/dbraw/zinc/49/24/33/383492433.db2.gz MGLQKERRNZRKAT-CQSZACIVSA-N 1 1 292.427 2.756 50 0 CFAAMO C[N@@H+]([C@H](CC(N)=O)c1ccccc1)[C@H]1C=CCCC1 ZINC000280246321 384942271 /nfs/dbraw/zinc/94/22/71/384942271.db2.gz BFOLBTPTFZXOJN-LSDHHAIUSA-N 1 1 258.365 2.644 50 0 CFAAMO CCC[C@@]1(CO)CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000288876253 197184086 /nfs/dbraw/zinc/18/40/86/197184086.db2.gz QTROMKYGUCVWLZ-QGZVFWFLSA-N 1 1 293.407 2.559 50 0 CFAAMO Cc1ncn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000284166098 385543682 /nfs/dbraw/zinc/54/36/82/385543682.db2.gz QLMUVUDXBYDORH-SFHVURJKSA-N 1 1 299.418 2.791 50 0 CFAAMO C[N@@H+]1CCO[C@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286386690 385605365 /nfs/dbraw/zinc/60/53/65/385605365.db2.gz SUHBTGHAMRNUJF-LLVKDONJSA-N 1 1 291.782 2.631 50 0 CFAAMO C[N@H+]1CCO[C@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286386690 385605369 /nfs/dbraw/zinc/60/53/69/385605369.db2.gz SUHBTGHAMRNUJF-LLVKDONJSA-N 1 1 291.782 2.631 50 0 CFAAMO COC[C@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000096424235 256759204 /nfs/dbraw/zinc/75/92/04/256759204.db2.gz RNJRTBKRMXFGQN-INIZCTEOSA-N 1 1 277.408 2.986 50 0 CFAAMO COc1ncc(Cl)c(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000095418324 184974459 /nfs/dbraw/zinc/97/44/59/184974459.db2.gz FTEFAPKFWPCGPL-FGWVZKOKSA-N 1 1 296.802 2.566 50 0 CFAAMO O[C@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000079353608 285364813 /nfs/dbraw/zinc/36/48/13/285364813.db2.gz KNMCLFCUOZUTCD-NSHDSACASA-N 1 1 262.740 2.849 50 0 CFAAMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000096489893 533433778 /nfs/dbraw/zinc/43/37/78/533433778.db2.gz WERDRQVZDPJYNB-INIZCTEOSA-N 1 1 296.370 2.744 50 0 CFAAMO Cc1cccc(NC2=[NH+]C3(CCCCC3)NC(=N)N2)c1C ZINC000006549719 393464094 /nfs/dbraw/zinc/46/40/94/393464094.db2.gz XFMAXWPDQDAEIZ-UHFFFAOYSA-N 1 1 285.395 2.650 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCc1ccco1 ZINC000015301359 393478982 /nfs/dbraw/zinc/47/89/82/393478982.db2.gz MJVFEXYAVOGPSV-ZDUSSCGKSA-N 1 1 290.388 2.794 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCc1ccco1 ZINC000015301359 393478992 /nfs/dbraw/zinc/47/89/92/393478992.db2.gz MJVFEXYAVOGPSV-ZDUSSCGKSA-N 1 1 290.388 2.794 50 0 CFAAMO NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000058356774 393624153 /nfs/dbraw/zinc/62/41/53/393624153.db2.gz VYUXCTUJKBPAIE-LBPRGKRZSA-N 1 1 286.297 2.718 50 0 CFAAMO NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000058356774 393624156 /nfs/dbraw/zinc/62/41/56/393624156.db2.gz VYUXCTUJKBPAIE-LBPRGKRZSA-N 1 1 286.297 2.718 50 0 CFAAMO NC(=O)[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1 ZINC000096297189 393818647 /nfs/dbraw/zinc/81/86/47/393818647.db2.gz VZLHDHCCWARFEZ-BJIFSAINSA-N 1 1 266.344 2.516 50 0 CFAAMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCCO2)C1 ZINC000248089408 393904879 /nfs/dbraw/zinc/90/48/79/393904879.db2.gz LFJKGOXLRFGBGR-BZUAXINKSA-N 1 1 296.455 2.572 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ncc[nH]1 ZINC000246047039 393844667 /nfs/dbraw/zinc/84/46/67/393844667.db2.gz SXFNDTUCIGICGY-HWWDLCQESA-N 1 1 298.434 2.656 50 0 CFAAMO CCc1[nH+]c(N2CCC[C@@](CC)(CO)C2)ccc1C ZINC000091876674 135073920 /nfs/dbraw/zinc/07/39/20/135073920.db2.gz GKFJNIGOUZIDCZ-MRXNPFEDSA-N 1 1 262.397 2.941 50 0 CFAAMO Cc1nnc(C[N@@H+](C)[C@H](C)Cc2ccsc2)o1 ZINC000176450859 542995597 /nfs/dbraw/zinc/99/55/97/542995597.db2.gz PHPJCVZCFJOCEH-SECBINFHSA-N 1 1 251.355 2.503 50 0 CFAAMO Cc1nnc(C[N@H+](C)[C@H](C)Cc2ccsc2)o1 ZINC000176450859 542995601 /nfs/dbraw/zinc/99/56/01/542995601.db2.gz PHPJCVZCFJOCEH-SECBINFHSA-N 1 1 251.355 2.503 50 0 CFAAMO O=C1CC2(CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)N1 ZINC000062581542 543105094 /nfs/dbraw/zinc/10/50/94/543105094.db2.gz SSORYSNGQPQFEZ-UHFFFAOYSA-N 1 1 299.201 2.848 50 0 CFAAMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(OC)OC ZINC000408514284 397564977 /nfs/dbraw/zinc/56/49/77/397564977.db2.gz NGYFKQPGERPGNO-HNNXBMFYSA-N 1 1 279.380 2.623 50 0 CFAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000107584910 397597512 /nfs/dbraw/zinc/59/75/12/397597512.db2.gz AVULZBVBSGDUSY-ZIAGYGMSSA-N 1 1 250.411 2.840 50 0 CFAAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000107584906 397597547 /nfs/dbraw/zinc/59/75/47/397597547.db2.gz AVULZBVBSGDUSY-UONOGXRCSA-N 1 1 250.411 2.840 50 0 CFAAMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCSC(C)(C)C)C1 ZINC000252486024 397628402 /nfs/dbraw/zinc/62/84/02/397628402.db2.gz HHFINGSCEZKMTE-CYBMUJFWSA-N 1 1 286.485 2.755 50 0 CFAAMO Cc1cc(N2CCC(Oc3ncccc3C)CC2)nc(C)[nH+]1 ZINC000374006884 157056982 /nfs/dbraw/zinc/05/69/82/157056982.db2.gz YHHSLPABGYTGGT-UHFFFAOYSA-N 1 1 298.390 2.845 50 0 CFAAMO Cn1cc(CC[N@H+]2Cc3ccccc3C3(CCC3)C2)cn1 ZINC000375690947 157271430 /nfs/dbraw/zinc/27/14/30/157271430.db2.gz ROMFYKWJZRVHEY-UHFFFAOYSA-N 1 1 281.403 2.900 50 0 CFAAMO CCc1nc(N2CC[C@H](Oc3cccnc3C)C2)cc(C)[nH+]1 ZINC000376459458 157359157 /nfs/dbraw/zinc/35/91/57/157359157.db2.gz FWUDCBRFJCJYFX-AWEZNQCLSA-N 1 1 298.390 2.709 50 0 CFAAMO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000248869196 287219733 /nfs/dbraw/zinc/21/97/33/287219733.db2.gz ZJROJJVTXSZWPC-UMVBOHGHSA-N 1 1 250.430 2.885 50 0 CFAAMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2F)C1)N1CCCC1 ZINC000004745020 170010691 /nfs/dbraw/zinc/01/06/91/170010691.db2.gz DYBZXWAOEUFSKX-OAHLLOKOSA-N 1 1 290.382 2.660 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)c2cccc(Cl)c2)C1 ZINC000004898485 170037799 /nfs/dbraw/zinc/03/77/99/170037799.db2.gz GOFCGLXPPQNPNI-GFCCVEGCSA-N 1 1 253.729 2.591 50 0 CFAAMO C[N@H+]1CCC[C@H](OC(=O)c2ccc(Br)cc2)C1 ZINC000004898900 170037926 /nfs/dbraw/zinc/03/79/26/170037926.db2.gz FPMRLLRMQAZJHO-LBPRGKRZSA-N 1 1 298.180 2.700 50 0 CFAAMO COc1ccc(CC[N@@H+](C)Cc2ccccn2)cc1OC ZINC000004981113 170048520 /nfs/dbraw/zinc/04/85/20/170048520.db2.gz XWIQNMXEQRAHJY-UHFFFAOYSA-N 1 1 286.375 2.773 50 0 CFAAMO COc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000005674906 170126881 /nfs/dbraw/zinc/12/68/81/170126881.db2.gz PSKNANIPKWZEDL-HNNXBMFYSA-N 1 1 293.407 2.699 50 0 CFAAMO CC[NH+](CC)CCNc1nc2ccc(Cl)cc2[nH]1 ZINC000005686321 170129028 /nfs/dbraw/zinc/12/90/28/170129028.db2.gz UQTXYSJOFDTZTQ-UHFFFAOYSA-N 1 1 266.776 2.970 50 0 CFAAMO Fc1ccc(C[NH+]2CCC3(CC2)OCCO3)c(Cl)c1 ZINC000006699478 170228294 /nfs/dbraw/zinc/22/82/94/170228294.db2.gz CISFMVBSPQXMNB-UHFFFAOYSA-N 1 1 285.746 2.818 50 0 CFAAMO C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000006702359 170229951 /nfs/dbraw/zinc/22/99/51/170229951.db2.gz PNXQFTFKNQQOTH-UHFFFAOYSA-N 1 1 288.178 2.773 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000006705516 170230518 /nfs/dbraw/zinc/23/05/18/170230518.db2.gz WLWAQUNTEPECTH-OAHLLOKOSA-N 1 1 274.364 2.755 50 0 CFAAMO C[N@H+]1CCCN(C(=O)c2csc3ccccc23)CC1 ZINC000006742172 170238105 /nfs/dbraw/zinc/23/81/05/170238105.db2.gz LEQPAVYKNWVNTM-UHFFFAOYSA-N 1 1 274.389 2.679 50 0 CFAAMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000007378680 170281133 /nfs/dbraw/zinc/28/11/33/170281133.db2.gz FTTIQFMVCSPWGM-AWEZNQCLSA-N 1 1 286.419 2.882 50 0 CFAAMO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000007378680 170281135 /nfs/dbraw/zinc/28/11/35/170281135.db2.gz FTTIQFMVCSPWGM-AWEZNQCLSA-N 1 1 286.419 2.882 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000007486662 170286985 /nfs/dbraw/zinc/28/69/85/170286985.db2.gz RQVVQMIDEBSEDT-LBPRGKRZSA-N 1 1 264.344 2.947 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000007486662 170286986 /nfs/dbraw/zinc/28/69/86/170286986.db2.gz RQVVQMIDEBSEDT-LBPRGKRZSA-N 1 1 264.344 2.947 50 0 CFAAMO Cc1ccsc1C[N@H+](C)CC(=O)NC1CCCC1 ZINC000007777233 170301734 /nfs/dbraw/zinc/30/17/34/170301734.db2.gz WEWKHTUNKOWEAS-UHFFFAOYSA-N 1 1 266.410 2.547 50 0 CFAAMO Cc1ccsc1C[N@@H+](C)CC(=O)NC1CCCC1 ZINC000007777233 170301735 /nfs/dbraw/zinc/30/17/35/170301735.db2.gz WEWKHTUNKOWEAS-UHFFFAOYSA-N 1 1 266.410 2.547 50 0 CFAAMO Cc1ccc(C[N@@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)o1 ZINC000007974705 170311219 /nfs/dbraw/zinc/31/12/19/170311219.db2.gz YCHSUHFQQJINIL-UHFFFAOYSA-N 1 1 297.358 2.536 50 0 CFAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)o1 ZINC000007974705 170311221 /nfs/dbraw/zinc/31/12/21/170311221.db2.gz YCHSUHFQQJINIL-UHFFFAOYSA-N 1 1 297.358 2.536 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000007996071 170312922 /nfs/dbraw/zinc/31/29/22/170312922.db2.gz XZBUJYSJBOIKBJ-UHFFFAOYSA-N 1 1 282.387 2.987 50 0 CFAAMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000008745229 170354023 /nfs/dbraw/zinc/35/40/23/170354023.db2.gz VUFDWMHLJOXADP-GOEBONIOSA-N 1 1 272.392 2.798 50 0 CFAAMO Cc1ccccc1C[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000009316674 170371651 /nfs/dbraw/zinc/37/16/51/170371651.db2.gz PEOCDHVWXGCJBP-UHFFFAOYSA-N 1 1 293.370 2.635 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000010023464 170395730 /nfs/dbraw/zinc/39/57/30/170395730.db2.gz WUSYTBRVIAWJLO-UHFFFAOYSA-N 1 1 295.358 2.840 50 0 CFAAMO C[N@H+](Cc1ccco1)C[C@@H](O)c1ccc2cc[nH]c2c1 ZINC000013366773 170547090 /nfs/dbraw/zinc/54/70/90/170547090.db2.gz QGAKFFDQLLINBD-MRXNPFEDSA-N 1 1 270.332 2.926 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(F)cc2)C1 ZINC000013646383 170572930 /nfs/dbraw/zinc/57/29/30/170572930.db2.gz SYZIZDJYIQBFPP-OKILXGFUSA-N 1 1 292.398 2.924 50 0 CFAAMO c1coc(C[N@H+]2CCC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000020294354 171134005 /nfs/dbraw/zinc/13/40/05/171134005.db2.gz WCMGYVUMSAZKQX-LBPRGKRZSA-N 1 1 273.336 2.920 50 0 CFAAMO C1=C[C@H]2C[C@@H]1C[C@H]2CC[N@H+]1CCCN(c2ncccn2)CC1 ZINC000020389410 171178101 /nfs/dbraw/zinc/17/81/01/171178101.db2.gz OCAXAHHKXOHOPQ-IXDOHACOSA-N 1 1 298.434 2.591 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(C[C@@H]2CCCO2)no1 ZINC000020598288 171266498 /nfs/dbraw/zinc/26/64/98/171266498.db2.gz SBRBQESALDXQRL-XQQFMLRXSA-N 1 1 279.384 2.554 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(C[C@@H]2CCCO2)no1 ZINC000020598288 171266499 /nfs/dbraw/zinc/26/64/99/171266499.db2.gz SBRBQESALDXQRL-XQQFMLRXSA-N 1 1 279.384 2.554 50 0 CFAAMO Cc1cccnc1-c1noc([C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000020994540 171283581 /nfs/dbraw/zinc/28/35/81/171283581.db2.gz HSYPJDHYGYTMRJ-GFCCVEGCSA-N 1 1 272.352 2.638 50 0 CFAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3)sc2C1 ZINC000021295002 171300778 /nfs/dbraw/zinc/30/07/78/171300778.db2.gz WFLUQAWXQYCYCH-UHFFFAOYSA-N 1 1 287.388 2.773 50 0 CFAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3)sc2C1 ZINC000021295002 171300779 /nfs/dbraw/zinc/30/07/79/171300779.db2.gz WFLUQAWXQYCYCH-UHFFFAOYSA-N 1 1 287.388 2.773 50 0 CFAAMO C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000022113763 171352785 /nfs/dbraw/zinc/35/27/85/171352785.db2.gz JCGKNAFPLNQLDQ-OCCSQVGLSA-N 1 1 276.380 2.957 50 0 CFAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccncc2)on1 ZINC000035511262 172242420 /nfs/dbraw/zinc/24/24/20/172242420.db2.gz FRSNHMLUBXKWBV-CQSZACIVSA-N 1 1 257.337 2.969 50 0 CFAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2ccncc2)on1 ZINC000035511262 172242422 /nfs/dbraw/zinc/24/24/22/172242422.db2.gz FRSNHMLUBXKWBV-CQSZACIVSA-N 1 1 257.337 2.969 50 0 CFAAMO CC[C@@H](C)NC(=O)C[N@H+](Cc1ccc(C)cc1)C1CC1 ZINC000040071700 174186690 /nfs/dbraw/zinc/18/66/90/174186690.db2.gz REHZKAYJPOAXHB-CQSZACIVSA-N 1 1 274.408 2.874 50 0 CFAAMO CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccc(C)cc1)C1CC1 ZINC000040071700 174186692 /nfs/dbraw/zinc/18/66/92/174186692.db2.gz REHZKAYJPOAXHB-CQSZACIVSA-N 1 1 274.408 2.874 50 0 CFAAMO CCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120319 174192947 /nfs/dbraw/zinc/19/29/47/174192947.db2.gz DJQHEPRIZRJBTA-QGZVFWFLSA-N 1 1 286.419 2.836 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)NCCCc1ccccc1 ZINC000040161501 174196300 /nfs/dbraw/zinc/19/63/00/174196300.db2.gz LXRDEKQXTFCQEO-HNNXBMFYSA-N 1 1 274.408 2.610 50 0 CFAAMO C[C@H]1CCC[C@@](C[NH2+]Cc2ccncc2)(N(C)C)C1 ZINC000040668179 174367599 /nfs/dbraw/zinc/36/75/99/174367599.db2.gz RZICBPDAFBPELA-GOEBONIOSA-N 1 1 261.413 2.682 50 0 CFAAMO FC(F)Oc1ccccc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684991 175230996 /nfs/dbraw/zinc/23/09/96/175230996.db2.gz BSOSWRDCWCHELF-GFCCVEGCSA-N 1 1 282.334 2.614 50 0 CFAAMO FC(F)Oc1ccccc1CN[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684991 175230998 /nfs/dbraw/zinc/23/09/98/175230998.db2.gz BSOSWRDCWCHELF-GFCCVEGCSA-N 1 1 282.334 2.614 50 0 CFAAMO CC(C)=CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000044737752 175241223 /nfs/dbraw/zinc/24/12/23/175241223.db2.gz ZCTUQAIVOSIHDQ-UHFFFAOYSA-N 1 1 276.355 2.550 50 0 CFAAMO CC(C)CC[N@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000044898507 175273973 /nfs/dbraw/zinc/27/39/73/175273973.db2.gz OIBGJHAHAOQMMG-UHFFFAOYSA-N 1 1 285.395 2.673 50 0 CFAAMO CC(C)CC[N@@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000044898507 175273974 /nfs/dbraw/zinc/27/39/74/175273974.db2.gz OIBGJHAHAOQMMG-UHFFFAOYSA-N 1 1 285.395 2.673 50 0 CFAAMO CCOc1cc(C[N@@H+](C)CCCO)ccc1OC(F)F ZINC000045944078 175387260 /nfs/dbraw/zinc/38/72/60/175387260.db2.gz JBVXGCMLSFZMPF-UHFFFAOYSA-N 1 1 289.322 2.501 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc(F)c1 ZINC000046858520 175399984 /nfs/dbraw/zinc/39/99/84/175399984.db2.gz GJVNXXFSNUQZHM-LLVKDONJSA-N 1 1 282.334 2.569 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000046995482 175402891 /nfs/dbraw/zinc/40/28/91/175402891.db2.gz ODFPTXGCNGHMSJ-UONOGXRCSA-N 1 1 278.783 2.697 50 0 CFAAMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)c(O)co2)cc1 ZINC000069743840 175851541 /nfs/dbraw/zinc/85/15/41/175851541.db2.gz NQUWVBSUMAVAHO-OAHLLOKOSA-N 1 1 285.343 2.991 50 0 CFAAMO Fc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1F ZINC000071681291 176245320 /nfs/dbraw/zinc/24/53/20/176245320.db2.gz XJPNJXQSIAZYOR-CYBMUJFWSA-N 1 1 280.362 2.786 50 0 CFAAMO CC(C)=CCC[C@H](C)c1[nH+]ccn1CCNC(C)=O ZINC000071681821 176245738 /nfs/dbraw/zinc/24/57/38/176245738.db2.gz NGRIXLBYTJZIOT-ZDUSSCGKSA-N 1 1 263.385 2.869 50 0 CFAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1F ZINC000071797338 176264929 /nfs/dbraw/zinc/26/49/29/176264929.db2.gz WESQCSQSWNPYOL-OAHLLOKOSA-N 1 1 289.354 2.905 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1F ZINC000071797338 176264930 /nfs/dbraw/zinc/26/49/30/176264930.db2.gz WESQCSQSWNPYOL-OAHLLOKOSA-N 1 1 289.354 2.905 50 0 CFAAMO NC(=O)[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000071824505 176271295 /nfs/dbraw/zinc/27/12/95/176271295.db2.gz DVJPEXISMLUPSG-HOTGVXAUSA-N 1 1 284.334 2.629 50 0 CFAAMO NC(=O)[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000071824506 176271585 /nfs/dbraw/zinc/27/15/85/176271585.db2.gz DVJPEXISMLUPSG-JKSUJKDBSA-N 1 1 284.334 2.629 50 0 CFAAMO Cc1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)s1 ZINC000071870422 176282821 /nfs/dbraw/zinc/28/28/21/176282821.db2.gz JLAMTFAVYZQOQM-CABCVRRESA-N 1 1 292.448 2.684 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC000071880458 176287686 /nfs/dbraw/zinc/28/76/86/176287686.db2.gz MVOGMYJZMQVPMI-HOTGVXAUSA-N 1 1 292.448 2.766 50 0 CFAAMO CC[C@H](C)C(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000071911418 176298030 /nfs/dbraw/zinc/29/80/30/176298030.db2.gz SGSTZAXJLKAIIC-JSGCOSHPSA-N 1 1 275.396 2.839 50 0 CFAAMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCCO ZINC000071921064 176300232 /nfs/dbraw/zinc/30/02/32/176300232.db2.gz OERZQBYLBMNSHO-QGZVFWFLSA-N 1 1 290.451 2.745 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCCO ZINC000071921064 176300234 /nfs/dbraw/zinc/30/02/34/176300234.db2.gz OERZQBYLBMNSHO-QGZVFWFLSA-N 1 1 290.451 2.745 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCCO ZINC000071921064 176300235 /nfs/dbraw/zinc/30/02/35/176300235.db2.gz OERZQBYLBMNSHO-QGZVFWFLSA-N 1 1 290.451 2.745 50 0 CFAAMO CC(C)Cn1cncc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072130976 176321569 /nfs/dbraw/zinc/32/15/69/176321569.db2.gz JOWDQQNRAHYWFP-GASCZTMLSA-N 1 1 259.397 2.937 50 0 CFAAMO Cc1cc(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000072139026 176322970 /nfs/dbraw/zinc/32/29/70/176322970.db2.gz CYSAJXJRDLCGFT-ZDUSSCGKSA-N 1 1 262.397 2.955 50 0 CFAAMO Clc1ccc(OC2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000072152698 176327491 /nfs/dbraw/zinc/32/74/91/176327491.db2.gz YEIPBNXKHAHORT-CYBMUJFWSA-N 1 1 294.826 2.793 50 0 CFAAMO CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)no1 ZINC000072162984 176330600 /nfs/dbraw/zinc/33/06/00/176330600.db2.gz KCDFTEKQAMWZDW-TXEJJXNPSA-N 1 1 261.369 2.765 50 0 CFAAMO CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)no1 ZINC000072162984 176330603 /nfs/dbraw/zinc/33/06/03/176330603.db2.gz KCDFTEKQAMWZDW-TXEJJXNPSA-N 1 1 261.369 2.765 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072270615 176354701 /nfs/dbraw/zinc/35/47/01/176354701.db2.gz GEOABTIRDKJGJY-GFCCVEGCSA-N 1 1 289.354 2.937 50 0 CFAAMO Cc1[nH+]cn(CC(=O)Nc2ccc(C)cc2C)c1C ZINC000072281956 176358915 /nfs/dbraw/zinc/35/89/15/176358915.db2.gz CWYQILQZBAAVKF-UHFFFAOYSA-N 1 1 257.337 2.755 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H]1CCc1cc(Cl)ncn1 ZINC000072343866 176372053 /nfs/dbraw/zinc/37/20/53/176372053.db2.gz WJWYICPOXHNXFC-LBPRGKRZSA-N 1 1 253.777 2.935 50 0 CFAAMO OC1(Cn2cc[nH+]c2C2CC2)C2CC3CC(C2)CC1C3 ZINC000072411626 176398878 /nfs/dbraw/zinc/39/88/78/176398878.db2.gz YUIKTKDXKBFLEM-UHFFFAOYSA-N 1 1 272.392 2.948 50 0 CFAAMO Cc1nnc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000076809467 177102049 /nfs/dbraw/zinc/10/20/49/177102049.db2.gz KRXPEHWZHYLIAU-GXFFZTMASA-N 1 1 275.327 2.895 50 0 CFAAMO CCc1ccc2c(C[N@@H+](C)C(C)(C)CO)cc(=O)oc2c1 ZINC000408512947 261068387 /nfs/dbraw/zinc/06/83/87/261068387.db2.gz JAJNTPNKQCPIHQ-UHFFFAOYSA-N 1 1 289.375 2.558 50 0 CFAAMO COCCNc1[nH+]cnc2c1c(C)c(C)n2CC(C)C ZINC000006759638 274036697 /nfs/dbraw/zinc/03/66/97/274036697.db2.gz PBSRRKIAZXQAHG-UHFFFAOYSA-N 1 1 276.384 2.762 50 0 CFAAMO COc1ccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000097085360 274104937 /nfs/dbraw/zinc/10/49/37/274104937.db2.gz KMEVIONQRRONRH-LBPRGKRZSA-N 1 1 296.330 2.672 50 0 CFAAMO c1ccc2c(c1)CC[C@@]21C[N@@H+](CCc2ccncc2)CCO1 ZINC000095435460 275069894 /nfs/dbraw/zinc/06/98/94/275069894.db2.gz OMVAFHZNALVFRJ-LJQANCHMSA-N 1 1 294.398 2.798 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1c1nc(-c2cn3ccccc3n2)no1 ZINC000095384692 277042788 /nfs/dbraw/zinc/04/27/88/277042788.db2.gz ZVAGTSOZXZXJDM-CYBMUJFWSA-N 1 1 297.362 2.931 50 0 CFAAMO C[N@H+]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000020501509 277050442 /nfs/dbraw/zinc/05/04/42/277050442.db2.gz RUFPCCZREKTTIW-UHFFFAOYSA-N 1 1 268.360 2.618 50 0 CFAAMO CN1CC[N@@H+](Cc2ccncc2)Cc2ccccc21 ZINC000089382849 277109401 /nfs/dbraw/zinc/10/94/01/277109401.db2.gz SFMTYFIMHQQWMS-UHFFFAOYSA-N 1 1 253.349 2.534 50 0 CFAAMO CC(C)=CCN1CC[N@@H+](CC2CCCCC2)C[C@H]1CCO ZINC000104517414 277324819 /nfs/dbraw/zinc/32/48/19/277324819.db2.gz QPCWDXVXZUJVOD-GOSISDBHSA-N 1 1 294.483 2.902 50 0 CFAAMO CS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000075921865 278163168 /nfs/dbraw/zinc/16/31/68/278163168.db2.gz QRJJLLHDFYKSKX-KBPBESRZSA-N 1 1 284.469 2.605 50 0 CFAAMO CC(C)(C)C1CCC([N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000757609 278301488 /nfs/dbraw/zinc/30/14/88/278301488.db2.gz VQQKVNXESJNLLB-IYXRBSQSSA-N 1 1 266.429 2.789 50 0 CFAAMO ClC1=CC[C@H]2C[N@@H+](CCN3CCCC3)C[C@H]2C1 ZINC000022045125 279289932 /nfs/dbraw/zinc/28/99/32/279289932.db2.gz QLOKZGCVMSPXQI-QWHCGFSZSA-N 1 1 254.805 2.547 50 0 CFAAMO ClC1=CC[C@H]2CN(CC[NH+]3CCCC3)C[C@H]2C1 ZINC000022045125 279289937 /nfs/dbraw/zinc/28/99/37/279289937.db2.gz QLOKZGCVMSPXQI-QWHCGFSZSA-N 1 1 254.805 2.547 50 0 CFAAMO C[C@H]([NH2+][C@@]1(CO)CCc2ccccc21)c1nccs1 ZINC000097038407 290034396 /nfs/dbraw/zinc/03/43/96/290034396.db2.gz FVUMBTCGQRCAQX-XHDPSFHLSA-N 1 1 274.389 2.628 50 0 CFAAMO Cc1ccccc1[C@H](C(=O)NCCSC(C)C)[NH+](C)C ZINC000095519204 302170333 /nfs/dbraw/zinc/17/03/33/302170333.db2.gz HXXKFUBGGFPLMC-OAHLLOKOSA-N 1 1 294.464 2.856 50 0 CFAAMO Cc1ccc(-c2cc(C[NH2+][C@@H]3CCOC3)no2)cc1 ZINC000534576035 328309812 /nfs/dbraw/zinc/30/98/12/328309812.db2.gz UCBLNXBQFPHUPI-CYBMUJFWSA-N 1 1 258.321 2.529 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCCOC1CCCCC1 ZINC000534669099 328346501 /nfs/dbraw/zinc/34/65/01/328346501.db2.gz FITHHKBPXYAKQU-MRXNPFEDSA-N 1 1 296.455 2.716 50 0 CFAAMO CC1(C)C[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)C(C)(C)O1 ZINC000097100409 323617887 /nfs/dbraw/zinc/61/78/87/323617887.db2.gz PAGZCRAQGVIASF-NSHDSACASA-N 1 1 291.351 2.765 50 0 CFAAMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000191986239 324056185 /nfs/dbraw/zinc/05/61/85/324056185.db2.gz VBFHZDZELVOTAN-HNNXBMFYSA-N 1 1 285.391 2.792 50 0 CFAAMO CC(C)CCNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000095352513 327202587 /nfs/dbraw/zinc/20/25/87/327202587.db2.gz IEKPWPAQIYLZAX-CQSZACIVSA-N 1 1 266.360 2.591 50 0 CFAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@H]2CO)o1 ZINC000828710938 782102875 /nfs/dbraw/zinc/10/28/75/782102875.db2.gz QFFWDZSLUXPINE-JSGCOSHPSA-N 1 1 251.370 2.928 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000019871915 521001548 /nfs/dbraw/zinc/00/15/48/521001548.db2.gz FGZGKHUZFAYJGU-HNNXBMFYSA-N 1 1 262.397 2.659 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000019871915 521001554 /nfs/dbraw/zinc/00/15/54/521001554.db2.gz FGZGKHUZFAYJGU-HNNXBMFYSA-N 1 1 262.397 2.659 50 0 CFAAMO Brc1c[nH+]ccc1NCCc1ccncc1 ZINC000159001587 518233762 /nfs/dbraw/zinc/23/37/62/518233762.db2.gz MJAQFUIYCHABEA-UHFFFAOYSA-N 1 1 278.153 2.894 50 0 CFAAMO Cc1nc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)oc1C ZINC000096485278 534350691 /nfs/dbraw/zinc/35/06/91/534350691.db2.gz MQFDGXMSVBZUTD-ZIAGYGMSSA-N 1 1 296.436 2.778 50 0 CFAAMO Cc1nc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)oc1C ZINC000096485278 534350700 /nfs/dbraw/zinc/35/07/00/534350700.db2.gz MQFDGXMSVBZUTD-ZIAGYGMSSA-N 1 1 296.436 2.778 50 0 CFAAMO CCCC[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000068048839 520417531 /nfs/dbraw/zinc/41/75/31/520417531.db2.gz MMZLGOCCZMTCCB-ZDUSSCGKSA-N 1 1 271.788 2.812 50 0 CFAAMO CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccco3)cc2c1 ZINC000004993281 521284007 /nfs/dbraw/zinc/28/40/07/521284007.db2.gz GUPDIFDRBZSUAL-UHFFFAOYSA-N 1 1 298.342 2.810 50 0 CFAAMO Cc1n[nH]cc1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000426407196 534853834 /nfs/dbraw/zinc/85/38/34/534853834.db2.gz YGLUQWJNWNKUMH-UHFFFAOYSA-N 1 1 254.337 2.831 50 0 CFAAMO c1ccc(C[N@H+]2CC[C@@H](Nc3ccccn3)C2)cc1 ZINC000067948702 526471073 /nfs/dbraw/zinc/47/10/73/526471073.db2.gz LGCIACACYCTERW-OAHLLOKOSA-N 1 1 253.349 2.768 50 0 CFAAMO CC1(C)[C@H](Nc2cc[nH+]cc2Cl)[C@@H]2CCO[C@H]21 ZINC000267433765 535079699 /nfs/dbraw/zinc/07/96/99/535079699.db2.gz XKAWRWQSAQYDHK-XXILOJSOSA-N 1 1 252.745 2.960 50 0 CFAAMO CC[C@H](C(=O)NC1(C2CCCC2)CC1)[N@@H+](C)CC ZINC000952965658 615605547 /nfs/dbraw/zinc/60/55/47/615605547.db2.gz FTMNLNJVKRTQLA-CYBMUJFWSA-N 1 1 252.402 2.556 50 0 CFAAMO C[NH+](C)C1(CNCc2cccc3nonc32)CCCCC1 ZINC000952969098 615851499 /nfs/dbraw/zinc/85/14/99/615851499.db2.gz RSXVJOZCKDMNDI-UHFFFAOYSA-N 1 1 288.395 2.577 50 0 CFAAMO CC[C@H]1C=CC[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000952988749 615877165 /nfs/dbraw/zinc/87/71/65/615877165.db2.gz OVPAUSZRRQBGQG-HNNXBMFYSA-N 1 1 268.360 2.689 50 0 CFAAMO CCn1cc[nH+]c1[C@@H]1CCCN(c2nccs2)C1 ZINC000092098165 618606581 /nfs/dbraw/zinc/60/65/81/618606581.db2.gz NAWGJBWVAKFXAW-LLVKDONJSA-N 1 1 262.382 2.744 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@H](C)C1 ZINC000002499021 619093445 /nfs/dbraw/zinc/09/34/45/619093445.db2.gz XGSFSMOKZNRERD-IHRRRGAJSA-N 1 1 253.386 2.983 50 0 CFAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CCC1 ZINC000012596500 626451243 /nfs/dbraw/zinc/45/12/43/626451243.db2.gz YSRAQCIWDRXVCP-HNNXBMFYSA-N 1 1 290.382 2.706 50 0 CFAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CCC1 ZINC000012596500 626451244 /nfs/dbraw/zinc/45/12/44/626451244.db2.gz YSRAQCIWDRXVCP-HNNXBMFYSA-N 1 1 290.382 2.706 50 0 CFAAMO COc1ccnc([C@H](C)[NH2+]Cc2scnc2C)c1 ZINC000863983327 637832921 /nfs/dbraw/zinc/83/29/21/637832921.db2.gz FUJLDPKQEABTFL-VIFPVBQESA-N 1 1 263.366 2.706 50 0 CFAAMO C[N@H+]1CCC[C@H]1CNc1nnc(-c2ccccc2)s1 ZINC000090083119 650864216 /nfs/dbraw/zinc/86/42/16/650864216.db2.gz DUDOHUKPQSSQON-LBPRGKRZSA-N 1 1 274.393 2.711 50 0 CFAAMO O=C(C1CCC1)N1CC[N@@H+](C2CC2)C[C@@H]1c1ccccc1 ZINC000090688449 650880755 /nfs/dbraw/zinc/88/07/55/650880755.db2.gz PWRSVDLZTVBUOP-QGZVFWFLSA-N 1 1 284.403 2.834 50 0 CFAAMO O=C(C1CCC1)N1CC[N@H+](C2CC2)C[C@@H]1c1ccccc1 ZINC000090688449 650880757 /nfs/dbraw/zinc/88/07/57/650880757.db2.gz PWRSVDLZTVBUOP-QGZVFWFLSA-N 1 1 284.403 2.834 50 0 CFAAMO O=C(CC1CC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012835235 651133148 /nfs/dbraw/zinc/13/31/48/651133148.db2.gz BKWABNXWHKRSII-INIZCTEOSA-N 1 1 278.440 2.947 50 0 CFAAMO COc1ncc(CNc2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000032587244 769956737 /nfs/dbraw/zinc/95/67/37/769956737.db2.gz BEDASWVFMBJMHD-UHFFFAOYSA-N 1 1 295.346 2.591 50 0 CFAAMO C[C@H](c1ccc(-c2cnccn2)cc1)[NH+]1CCOCC1 ZINC000032587383 779071809 /nfs/dbraw/zinc/07/18/09/779071809.db2.gz UOKGBAMJBXUZNV-CYBMUJFWSA-N 1 1 269.348 2.537 50 0 CFAAMO CC/C=C\CCC[N@H+]1CCC[C@@](CC)(C(N)=O)C1 ZINC000822293509 780887782 /nfs/dbraw/zinc/88/77/82/780887782.db2.gz CNKMNIKLBQQDTL-IYKSTZQJSA-N 1 1 252.402 2.710 50 0 CFAAMO O=c1cc(C[N@H+](CCC(F)(F)F)C2CCC2)occ1O ZINC000096460863 230377940 /nfs/dbraw/zinc/37/79/40/230377940.db2.gz WNZAXVRLLUCBIK-UHFFFAOYSA-N 1 1 291.269 2.652 50 0 CFAAMO O=c1cc(C[N@@H+](CCC(F)(F)F)C2CCC2)occ1O ZINC000096460863 230377941 /nfs/dbraw/zinc/37/79/41/230377941.db2.gz WNZAXVRLLUCBIK-UHFFFAOYSA-N 1 1 291.269 2.652 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCCO2)cc1F ZINC000126179824 230394609 /nfs/dbraw/zinc/39/46/09/230394609.db2.gz OKYKTKCGVPFALB-AWEZNQCLSA-N 1 1 294.370 2.574 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)cc1F ZINC000126179824 230394610 /nfs/dbraw/zinc/39/46/10/230394610.db2.gz OKYKTKCGVPFALB-AWEZNQCLSA-N 1 1 294.370 2.574 50 0 CFAAMO CC(C)(C)C[C@H]1CCCN1c1cc[nH+]cc1C(N)=O ZINC000095941116 185036680 /nfs/dbraw/zinc/03/66/80/185036680.db2.gz JUHRTUJAEWYEPX-LLVKDONJSA-N 1 1 261.369 2.586 50 0 CFAAMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000095954952 185041967 /nfs/dbraw/zinc/04/19/67/185041967.db2.gz VCFQIMABXAFCDN-OAHLLOKOSA-N 1 1 276.355 2.583 50 0 CFAAMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000095954952 185041968 /nfs/dbraw/zinc/04/19/68/185041968.db2.gz VCFQIMABXAFCDN-OAHLLOKOSA-N 1 1 276.355 2.583 50 0 CFAAMO Cc1nc(C[NH+]2CCC3(CC2)OCC(C)(C)CO3)cs1 ZINC000095960506 185043633 /nfs/dbraw/zinc/04/36/33/185043633.db2.gz ZJWPFPBPWFNCGQ-UHFFFAOYSA-N 1 1 296.436 2.817 50 0 CFAAMO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000095978828 185052933 /nfs/dbraw/zinc/05/29/33/185052933.db2.gz VTIIUUBKLZEWLN-JKSUJKDBSA-N 1 1 277.408 2.572 50 0 CFAAMO CCc1nnc(C[NH2+][C@H](C)c2cccc(C)c2C)n1C ZINC000095985235 185055294 /nfs/dbraw/zinc/05/52/94/185055294.db2.gz JTCHFLFDAYNSBF-CYBMUJFWSA-N 1 1 272.396 2.845 50 0 CFAAMO COCc1n[nH]c(C)c1-c1ccc(C[NH+](C)C)cc1 ZINC000096140717 185105860 /nfs/dbraw/zinc/10/58/60/185105860.db2.gz KQXGPJAIJGOEBA-UHFFFAOYSA-N 1 1 259.353 2.593 50 0 CFAAMO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1cccc(F)c1F ZINC000097033684 185155503 /nfs/dbraw/zinc/15/55/03/185155503.db2.gz XRFLMMPWYJPQTP-NSHDSACASA-N 1 1 282.334 2.628 50 0 CFAAMO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000075611503 347087571 /nfs/dbraw/zinc/08/75/71/347087571.db2.gz ZVFKYUTZGWWJMV-OAHLLOKOSA-N 1 1 255.365 2.925 50 0 CFAAMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000075611495 347087597 /nfs/dbraw/zinc/08/75/97/347087597.db2.gz ZVFKYUTZGWWJMV-HNNXBMFYSA-N 1 1 255.365 2.925 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc1C ZINC000006054462 346213349 /nfs/dbraw/zinc/21/33/49/346213349.db2.gz CGXFLSFZVZZFFI-HZPDHXFCSA-N 1 1 277.408 2.918 50 0 CFAAMO C[N@H+]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020496257 346243829 /nfs/dbraw/zinc/24/38/29/346243829.db2.gz ICRZPJUBBOFWFZ-UHFFFAOYSA-N 1 1 290.451 2.757 50 0 CFAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078340 346246997 /nfs/dbraw/zinc/24/69/97/346246997.db2.gz DTUDASASKRVRRY-PWSUYJOCSA-N 1 1 299.212 2.711 50 0 CFAAMO CC[N@@H+](C[C@H](O)c1cc(C)ccc1C)C[C@@H]1CCOC1 ZINC000078947564 347281053 /nfs/dbraw/zinc/28/10/53/347281053.db2.gz PNELGSQDNINNPI-RDJZCZTQSA-N 1 1 277.408 2.695 50 0 CFAAMO C[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CCC[C@@H]1O ZINC000091899993 347602388 /nfs/dbraw/zinc/60/23/88/347602388.db2.gz MCHXOEMBHLMJIY-HZMBPMFUSA-N 1 1 255.308 2.558 50 0 CFAAMO C[N@H+](Cc1c(F)cccc1F)C[C@@H]1CCC[C@@H]1O ZINC000091899993 347602392 /nfs/dbraw/zinc/60/23/92/347602392.db2.gz MCHXOEMBHLMJIY-HZMBPMFUSA-N 1 1 255.308 2.558 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)C[N@H+](C)C[C@H]1CC ZINC000095882803 347699238 /nfs/dbraw/zinc/69/92/38/347699238.db2.gz VFVRCUAINDTTOF-CZUORRHYSA-N 1 1 261.365 2.807 50 0 CFAAMO C[C@H]1CCCC[C@H]1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000097373006 347708609 /nfs/dbraw/zinc/70/86/09/347708609.db2.gz FRRPKHYAGQYJEL-JSGCOSHPSA-N 1 1 262.401 2.810 50 0 CFAAMO CC(C)C[N@H+]1CCCC[C@H]1c1nncn1CC1CC1 ZINC000097941522 347711810 /nfs/dbraw/zinc/71/18/10/347711810.db2.gz BFQPPOHXLAXYKB-AWEZNQCLSA-N 1 1 262.401 2.871 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2SC)o1 ZINC000110642500 347749435 /nfs/dbraw/zinc/74/94/35/347749435.db2.gz JSDFQMKOYPWYCF-WCQYABFASA-N 1 1 283.393 2.782 50 0 CFAAMO CON(C)C(=O)CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000170616858 348057510 /nfs/dbraw/zinc/05/75/10/348057510.db2.gz RIFDWCUVXOVKRI-UHFFFAOYSA-N 1 1 294.395 2.824 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)C(C)(C)CO1 ZINC000184795075 348127608 /nfs/dbraw/zinc/12/76/08/348127608.db2.gz PVDUHYWGBRIIGJ-CQSZACIVSA-N 1 1 289.423 2.681 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C(C)(C)CO1 ZINC000184795075 348127613 /nfs/dbraw/zinc/12/76/13/348127613.db2.gz PVDUHYWGBRIIGJ-CQSZACIVSA-N 1 1 289.423 2.681 50 0 CFAAMO Fc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000225463534 348177421 /nfs/dbraw/zinc/17/74/21/348177421.db2.gz AFKVVEZOLCGYSV-OAHLLOKOSA-N 1 1 292.333 2.611 50 0 CFAAMO Fc1cc(F)cc(C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000225463534 348177422 /nfs/dbraw/zinc/17/74/22/348177422.db2.gz AFKVVEZOLCGYSV-OAHLLOKOSA-N 1 1 292.333 2.611 50 0 CFAAMO COc1ccc([C@@H]2C[C@@H](C)C[N@H+]2CCC2OCCO2)cc1 ZINC000195565955 348146882 /nfs/dbraw/zinc/14/68/82/348146882.db2.gz GMNKJOBJMRGVCS-CJNGLKHVSA-N 1 1 291.391 2.841 50 0 CFAAMO COc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc1O ZINC000225670936 348179270 /nfs/dbraw/zinc/17/92/70/348179270.db2.gz KNCJZYLCPLHTPV-CQSZACIVSA-N 1 1 284.359 2.785 50 0 CFAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)[C@H]3CCN(C)C3)c2)n1 ZINC000230496007 348206044 /nfs/dbraw/zinc/20/60/44/348206044.db2.gz GCAZFWWSFPTLBS-SFHVURJKSA-N 1 1 298.434 2.625 50 0 CFAAMO Cc1cc(C)n(-c2cccc(CN(C)[C@H]3CC[N@H+](C)C3)c2)n1 ZINC000230496007 348206045 /nfs/dbraw/zinc/20/60/45/348206045.db2.gz GCAZFWWSFPTLBS-SFHVURJKSA-N 1 1 298.434 2.625 50 0 CFAAMO Cc1cc(C)n(-c2cccc(CN(C)[C@H]3CC[N@@H+](C)C3)c2)n1 ZINC000230496007 348206046 /nfs/dbraw/zinc/20/60/46/348206046.db2.gz GCAZFWWSFPTLBS-SFHVURJKSA-N 1 1 298.434 2.625 50 0 CFAAMO Clc1ccccc1OCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245281184 348251638 /nfs/dbraw/zinc/25/16/38/348251638.db2.gz ABTYTCCTLAHUKK-KGLIPLIRSA-N 1 1 294.826 2.935 50 0 CFAAMO Clc1ccccc1OCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245281184 348251641 /nfs/dbraw/zinc/25/16/41/348251641.db2.gz ABTYTCCTLAHUKK-KGLIPLIRSA-N 1 1 294.826 2.935 50 0 CFAAMO CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000087121328 179396407 /nfs/dbraw/zinc/39/64/07/179396407.db2.gz MYXTVALRDZDKKO-ARFHVFGLSA-N 1 1 296.455 2.571 50 0 CFAAMO Cc1[nH+]ccn1C1CN(C(=O)CCC2CCCC2)C1 ZINC000409421300 348600406 /nfs/dbraw/zinc/60/04/06/348600406.db2.gz CGKXJYQKDYPNQY-UHFFFAOYSA-N 1 1 261.369 2.545 50 0 CFAAMO CN(C[C@H]1CCCC[N@H+]1C)c1nc(-c2ccccc2)no1 ZINC000584896435 348731046 /nfs/dbraw/zinc/73/10/46/348731046.db2.gz LYWHCFWMOYHTIR-CQSZACIVSA-N 1 1 286.379 2.657 50 0 CFAAMO COC[C@@H](C)[NH2+]CCCc1nc2ccc(Cl)cc2[nH]1 ZINC000584896413 348731383 /nfs/dbraw/zinc/73/13/83/348731383.db2.gz JHDYHKYLASTYNP-SNVBAGLBSA-N 1 1 281.787 2.773 50 0 CFAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000585141173 348737047 /nfs/dbraw/zinc/73/70/47/348737047.db2.gz QQGOSDIVRMIIEX-QWHCGFSZSA-N 1 1 295.452 2.660 50 0 CFAAMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cnccn1 ZINC000090666952 180020078 /nfs/dbraw/zinc/02/00/78/180020078.db2.gz FIHYEKZTAVKWCH-GJZGRUSLSA-N 1 1 276.428 2.638 50 0 CFAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2 ZINC000091381373 180144095 /nfs/dbraw/zinc/14/40/95/180144095.db2.gz HEDBYYJAVROJPH-BXUZGUMPSA-N 1 1 278.783 2.506 50 0 CFAAMO Cc1cccc([C@H](Nc2nc(N)[nH+]cc2C)C2CC2)n1 ZINC000091680235 180226059 /nfs/dbraw/zinc/22/60/59/180226059.db2.gz HFDOVCAZMGPNHM-CYBMUJFWSA-N 1 1 269.352 2.634 50 0 CFAAMO Cc1ccc(NC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3C)C2)cc1 ZINC000091769724 180249701 /nfs/dbraw/zinc/24/97/01/180249701.db2.gz ZYOHOWGIBJXUBG-UKRRQHHQSA-N 1 1 273.380 2.553 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000105754775 186070514 /nfs/dbraw/zinc/07/05/14/186070514.db2.gz LHIIWSZSBBRDDG-QWHCGFSZSA-N 1 1 269.410 2.500 50 0 CFAAMO CCc1nc(C)sc1C[N@H+]1CC[C@@](O)(C2CC2)[C@H](C)C1 ZINC000092065259 180316572 /nfs/dbraw/zinc/31/65/72/180316572.db2.gz IPFGJTXTXXZGAU-BZNIZROVSA-N 1 1 294.464 2.997 50 0 CFAAMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cccn1 ZINC000106108026 186103248 /nfs/dbraw/zinc/10/32/48/186103248.db2.gz ILXBEWDZUNQOCC-CRAIPNDOSA-N 1 1 299.418 2.545 50 0 CFAAMO c1cc2c(ncnc2N[C@@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000106826691 186138136 /nfs/dbraw/zinc/13/81/36/186138136.db2.gz VPYOQVZCKRQYCW-NEPJUHHUSA-N 1 1 274.393 2.730 50 0 CFAAMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCO)C1 ZINC000106853299 186141988 /nfs/dbraw/zinc/14/19/88/186141988.db2.gz OFYHBCULHPANFM-IRXDYDNUSA-N 1 1 282.472 2.735 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCO)C1 ZINC000106853299 186141990 /nfs/dbraw/zinc/14/19/90/186141990.db2.gz OFYHBCULHPANFM-IRXDYDNUSA-N 1 1 282.472 2.735 50 0 CFAAMO Cn1cncc1CNC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109077215 186242607 /nfs/dbraw/zinc/24/26/07/186242607.db2.gz AYGBJTKJTBRPPA-MRXNPFEDSA-N 1 1 290.455 2.554 50 0 CFAAMO CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2)C1 ZINC000110641699 186308240 /nfs/dbraw/zinc/30/82/40/186308240.db2.gz KYGBQECUITXZHO-UONOGXRCSA-N 1 1 278.421 2.841 50 0 CFAAMO Cc1noc(C)c1C[N@H+](C)C/C=C\c1ccncc1 ZINC000606444050 351270330 /nfs/dbraw/zinc/27/03/30/351270330.db2.gz CMSRBXRPMGDCJP-PLNGDYQASA-N 1 1 257.337 2.832 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C/C=C\c1ccncc1 ZINC000606444050 351270333 /nfs/dbraw/zinc/27/03/33/351270333.db2.gz CMSRBXRPMGDCJP-PLNGDYQASA-N 1 1 257.337 2.832 50 0 CFAAMO COc1ccccc1OCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000158438762 188375872 /nfs/dbraw/zinc/37/58/72/188375872.db2.gz DJMNBWKEPPILDC-UHFFFAOYSA-N 1 1 291.391 2.719 50 0 CFAAMO COc1ccccc1OCC[N@H+]1CCOC2(CCCC2)C1 ZINC000158438762 188375874 /nfs/dbraw/zinc/37/58/74/188375874.db2.gz DJMNBWKEPPILDC-UHFFFAOYSA-N 1 1 291.391 2.719 50 0 CFAAMO C[N@@H+](CCSc1ccccc1)CC1(C)COC1 ZINC000625790870 354112430 /nfs/dbraw/zinc/11/24/30/354112430.db2.gz QMLBOUCDNICGJT-UHFFFAOYSA-N 1 1 251.395 2.747 50 0 CFAAMO O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000685939713 540020915 /nfs/dbraw/zinc/02/09/15/540020915.db2.gz FSRNLNFGTHULGV-ZTFGCOKTSA-N 1 1 299.418 2.977 50 0 CFAAMO CSc1nc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc(=O)[nH]1 ZINC000685943247 540022501 /nfs/dbraw/zinc/02/25/01/540022501.db2.gz HXJKPUVUMYJXTI-ZJUUUORDSA-N 1 1 267.398 2.572 50 0 CFAAMO CC(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000083815613 540184507 /nfs/dbraw/zinc/18/45/07/540184507.db2.gz UXNZQUHQVXKMPC-GFCCVEGCSA-N 1 1 283.318 2.740 50 0 CFAAMO Cc1ncc(CNC[C@H](C)[N@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022219 540191985 /nfs/dbraw/zinc/19/19/85/540191985.db2.gz AZIMCQWASXGDAX-AWEZNQCLSA-N 1 1 298.434 2.753 50 0 CFAAMO Cc1ncc(CNC[C@H](C)[N@@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022219 540191988 /nfs/dbraw/zinc/19/19/88/540191988.db2.gz AZIMCQWASXGDAX-AWEZNQCLSA-N 1 1 298.434 2.753 50 0 CFAAMO Cc1nc(CN(Cc2ccccc2)[C@@H]2CC[N@H+](C)C2)oc1C ZINC000084061342 540192408 /nfs/dbraw/zinc/19/24/08/540192408.db2.gz IFWHDZWXCZJTQJ-QGZVFWFLSA-N 1 1 299.418 2.998 50 0 CFAAMO C[N@H+](CCN1CCCC1=O)[C@@H]1CCc2c1c(F)ccc2F ZINC000083860893 540187100 /nfs/dbraw/zinc/18/71/00/540187100.db2.gz TZXQUMTWZSBYCJ-CQSZACIVSA-N 1 1 294.345 2.506 50 0 CFAAMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCc2c1c(F)ccc2F ZINC000083860893 540187102 /nfs/dbraw/zinc/18/71/02/540187102.db2.gz TZXQUMTWZSBYCJ-CQSZACIVSA-N 1 1 294.345 2.506 50 0 CFAAMO Cc1ncc([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000090418943 540361454 /nfs/dbraw/zinc/36/14/54/540361454.db2.gz VZUBLZBIDGEAEG-VIFPVBQESA-N 1 1 297.424 2.721 50 0 CFAAMO Cc1oc(C)c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1C ZINC000084061199 540681578 /nfs/dbraw/zinc/68/15/78/540681578.db2.gz ILSPRXIRTYJYNS-AWEZNQCLSA-N 1 1 276.380 2.515 50 0 CFAAMO O[C@H]1C[C@H](C2CCCCC2)[N@@H+](Cc2ccncc2)C1 ZINC000095401527 540725095 /nfs/dbraw/zinc/72/50/95/540725095.db2.gz XJAYRKLRCBTBSG-JKSUJKDBSA-N 1 1 260.381 2.597 50 0 CFAAMO Cc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000180192716 189242643 /nfs/dbraw/zinc/24/26/43/189242643.db2.gz CGMMCIMMPRFOJT-LBPRGKRZSA-N 1 1 277.261 2.633 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000180192716 189242644 /nfs/dbraw/zinc/24/26/44/189242644.db2.gz CGMMCIMMPRFOJT-LBPRGKRZSA-N 1 1 277.261 2.633 50 0 CFAAMO Cc1cccc(CC[N@H+](C)CCC2(O)CCCC2)n1 ZINC000670437243 540993699 /nfs/dbraw/zinc/99/36/99/540993699.db2.gz ROTYUSDVUDLSKF-UHFFFAOYSA-N 1 1 262.397 2.560 50 0 CFAAMO C[C@@H](c1ncnn1Cc1ccccc1)[NH+]1CCCCC1 ZINC000670439853 540995739 /nfs/dbraw/zinc/99/57/39/540995739.db2.gz QBAFMXIPRXHQEZ-AWEZNQCLSA-N 1 1 270.380 2.873 50 0 CFAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cn1 ZINC000670443398 540996260 /nfs/dbraw/zinc/99/62/60/540996260.db2.gz SRKIIWXAYUQUBV-CQSZACIVSA-N 1 1 286.379 2.583 50 0 CFAAMO CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cn1 ZINC000670443396 540996391 /nfs/dbraw/zinc/99/63/91/540996391.db2.gz SRKIIWXAYUQUBV-AWEZNQCLSA-N 1 1 286.379 2.583 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](Cc1cccc3nonc31)C2 ZINC000670449800 540998786 /nfs/dbraw/zinc/99/87/86/540998786.db2.gz QOUJEJLFBBXCAC-UHFFFAOYSA-N 1 1 295.342 2.790 50 0 CFAAMO Fc1cccc(OC[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)c1 ZINC000670452940 541000575 /nfs/dbraw/zinc/00/05/75/541000575.db2.gz WGATUTKQEKQGRJ-ZDUSSCGKSA-N 1 1 289.354 2.840 50 0 CFAAMO Fc1cccc(OC[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)c1 ZINC000670452940 541000577 /nfs/dbraw/zinc/00/05/77/541000577.db2.gz WGATUTKQEKQGRJ-ZDUSSCGKSA-N 1 1 289.354 2.840 50 0 CFAAMO C[C@@H](CCn1cccn1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000670456843 541001429 /nfs/dbraw/zinc/00/14/29/541001429.db2.gz ZRCBIHRFAMXUOR-KRWDZBQOSA-N 1 1 298.434 2.874 50 0 CFAAMO CCn1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)n1 ZINC000670461866 541004655 /nfs/dbraw/zinc/00/46/55/541004655.db2.gz HXBRJMRIVZLKRB-UHFFFAOYSA-N 1 1 284.407 2.753 50 0 CFAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC000670465568 541005843 /nfs/dbraw/zinc/00/58/43/541005843.db2.gz IVYPQURGRAPLBG-QGZVFWFLSA-N 1 1 287.407 2.938 50 0 CFAAMO C[C@](O)(CNc1[nH]c2ccccc2[nH+]1)c1ccsc1 ZINC000301885922 201248782 /nfs/dbraw/zinc/24/87/82/201248782.db2.gz OVKPWSDWSLAILI-AWEZNQCLSA-N 1 1 273.361 2.944 50 0 CFAAMO C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)CC1CCOCC1 ZINC000216207944 189702034 /nfs/dbraw/zinc/70/20/34/189702034.db2.gz KPJVGNWCOXAZNE-UHFFFAOYSA-N 1 1 291.420 2.997 50 0 CFAAMO COc1ccc(C[NH+]2CCSCC2)c(OC)c1C ZINC000000207286 371557631 /nfs/dbraw/zinc/55/76/31/371557631.db2.gz DSWMCAPJPSPBDR-UHFFFAOYSA-N 1 1 267.394 2.561 50 0 CFAAMO CCOc1ccc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000000174810 371549949 /nfs/dbraw/zinc/54/99/49/371549949.db2.gz SECVMSAYDWBWJD-MZBDJJRSSA-N 1 1 289.375 2.867 50 0 CFAAMO Nc1nc(N)c2c(cccc2Oc2ccc(F)cc2)[nH+]1 ZINC000000172625 371550189 /nfs/dbraw/zinc/55/01/89/371550189.db2.gz JNYHUFOSYWFTLJ-UHFFFAOYSA-N 1 1 270.267 2.726 50 0 CFAAMO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000000757308 371648842 /nfs/dbraw/zinc/64/88/42/371648842.db2.gz HKTANZFQTNNOIG-JTQLQIEISA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000000757308 371648848 /nfs/dbraw/zinc/64/88/48/371648848.db2.gz HKTANZFQTNNOIG-JTQLQIEISA-N 1 1 287.190 2.691 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1 ZINC000000806688 371650251 /nfs/dbraw/zinc/65/02/51/371650251.db2.gz SNERFWSYHDYSKC-LLVKDONJSA-N 1 1 250.317 2.639 50 0 CFAAMO CC[N@@H+](CCCCO)[C@H](C)Cc1ccc(OC)cc1 ZINC000002019205 371713630 /nfs/dbraw/zinc/71/36/30/371713630.db2.gz ZGZAPRVKIAFOPL-CQSZACIVSA-N 1 1 265.397 2.721 50 0 in-vitro CFAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCCC1 ZINC000003327910 371791329 /nfs/dbraw/zinc/79/13/29/371791329.db2.gz KHOKUJKXLATPRB-UHFFFAOYSA-N 1 1 282.771 2.691 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C)c1 ZINC000003293201 371789503 /nfs/dbraw/zinc/78/95/03/371789503.db2.gz XPYXYWOAXWTHEN-CQSZACIVSA-N 1 1 277.437 2.766 50 0 CFAAMO O=C(C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000003295960 371789802 /nfs/dbraw/zinc/78/98/02/371789802.db2.gz FDPLUJVQKLJABW-UHFFFAOYSA-N 1 1 257.255 2.984 50 0 CFAAMO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000003393977 371797074 /nfs/dbraw/zinc/79/70/74/371797074.db2.gz GVHZOOKPKNWNPE-CQSZACIVSA-N 1 1 265.316 2.979 50 0 CFAAMO CC[C@@H]1C[N@@H+](C)CC[C@]1(OC(C)=O)c1ccccc1 ZINC000005008138 371877305 /nfs/dbraw/zinc/87/73/05/371877305.db2.gz LOWQPSFXEWFNSB-GDBMZVCRSA-N 1 1 261.365 2.807 50 0 CFAAMO CC[N@H+]1CCC[C@@H](OC(=O)NC2CCCCC2)C1 ZINC000004184256 371839766 /nfs/dbraw/zinc/83/97/66/371839766.db2.gz IGLNKJQEANOIGR-CYBMUJFWSA-N 1 1 254.374 2.530 50 0 CFAAMO CC[N@H+]1CCC[C@H](OC(=O)NC2CCCCC2)C1 ZINC000004184253 371840895 /nfs/dbraw/zinc/84/08/95/371840895.db2.gz IGLNKJQEANOIGR-ZDUSSCGKSA-N 1 1 254.374 2.530 50 0 CFAAMO Cc1ccc(N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000006667499 371890573 /nfs/dbraw/zinc/89/05/73/371890573.db2.gz CNEBYRMVSWQBPA-UHFFFAOYSA-N 1 1 256.349 2.910 50 0 CFAAMO C[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000007785753 371894799 /nfs/dbraw/zinc/89/47/99/371894799.db2.gz DBJDCRZXNFRADF-UHFFFAOYSA-N 1 1 272.323 2.896 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000007785753 371894808 /nfs/dbraw/zinc/89/48/08/371894808.db2.gz DBJDCRZXNFRADF-UHFFFAOYSA-N 1 1 272.323 2.896 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000009662010 371900343 /nfs/dbraw/zinc/90/03/43/371900343.db2.gz YQOVOYVJMBRRQX-XHSDSOJGSA-N 1 1 277.408 2.713 50 0 CFAAMO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000010434838 371907597 /nfs/dbraw/zinc/90/75/97/371907597.db2.gz KSIMRCJXVNOUTP-OLMNPRSZSA-N 1 1 289.419 2.611 50 0 CFAAMO CCCC[N@@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000012938309 372001910 /nfs/dbraw/zinc/00/19/10/372001910.db2.gz VTBZTETWBHNJOO-GFCCVEGCSA-N 1 1 294.395 2.721 50 0 CFAAMO C[C@H](NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000012787189 371986896 /nfs/dbraw/zinc/98/68/96/371986896.db2.gz YRHUUZVOZRYUGB-XQQFMLRXSA-N 1 1 280.437 2.903 50 0 CFAAMO CCc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000012882052 371993674 /nfs/dbraw/zinc/99/36/74/371993674.db2.gz MFJHWSGGACIUQY-ZBFHGGJFSA-N 1 1 277.408 2.721 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000012139858 371946265 /nfs/dbraw/zinc/94/62/65/371946265.db2.gz CRZVQVZEELAJAD-RHSMWYFYSA-N 1 1 289.419 2.789 50 0 CFAAMO Fc1cc(Br)ccc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000012243804 371950143 /nfs/dbraw/zinc/95/01/43/371950143.db2.gz KNINEJFEMKSAON-LLVKDONJSA-N 1 1 296.143 2.546 50 0 CFAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2CO)cc1C ZINC000012317666 371950783 /nfs/dbraw/zinc/95/07/83/371950783.db2.gz RZNQXRKQXCDPRL-INIZCTEOSA-N 1 1 285.391 2.650 50 0 CFAAMO OC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1O ZINC000014007968 372056989 /nfs/dbraw/zinc/05/69/89/372056989.db2.gz JPLSIBRFAFEEDC-RDJZCZTQSA-N 1 1 283.371 2.600 50 0 CFAAMO CC(=O)c1ccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489398 372108367 /nfs/dbraw/zinc/10/83/67/372108367.db2.gz JTFXMIRTEGZTLM-OKILXGFUSA-N 1 1 291.391 2.767 50 0 CFAAMO CC(=O)c1ccc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489398 372108371 /nfs/dbraw/zinc/10/83/71/372108371.db2.gz JTFXMIRTEGZTLM-OKILXGFUSA-N 1 1 291.391 2.767 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000016604577 372112685 /nfs/dbraw/zinc/11/26/85/372112685.db2.gz QJHUDEYGFGOGIJ-GFCCVEGCSA-N 1 1 292.448 2.651 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000015075049 372078566 /nfs/dbraw/zinc/07/85/66/372078566.db2.gz KFFPFPIDNYFXQS-CQSZACIVSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000015075049 372078571 /nfs/dbraw/zinc/07/85/71/372078571.db2.gz KFFPFPIDNYFXQS-CQSZACIVSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000015075049 372078579 /nfs/dbraw/zinc/07/85/79/372078579.db2.gz KFFPFPIDNYFXQS-CQSZACIVSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000015075049 372078585 /nfs/dbraw/zinc/07/85/85/372078585.db2.gz KFFPFPIDNYFXQS-CQSZACIVSA-N 1 1 274.343 2.625 50 0 CFAAMO FC(F)(F)CCC[NH+]1CCN(c2cccnc2)CC1 ZINC000020454973 372237284 /nfs/dbraw/zinc/23/72/84/372237284.db2.gz QOCCADZPEWMUCP-UHFFFAOYSA-N 1 1 273.302 2.546 50 0 CFAAMO c1ccc(COC[C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000019851325 372200688 /nfs/dbraw/zinc/20/06/88/372200688.db2.gz RDGPQHCJHZWORQ-LJQANCHMSA-N 1 1 296.414 2.677 50 0 CFAAMO c1ccc(COC[C@H]2C[N@@H+](Cc3ccccc3)CCN2)cc1 ZINC000019851325 372200697 /nfs/dbraw/zinc/20/06/97/372200697.db2.gz RDGPQHCJHZWORQ-LJQANCHMSA-N 1 1 296.414 2.677 50 0 CFAAMO C=C1c2ccccc2NC(=O)N1C[C@H]1CCC[N@@H+]1CC ZINC000025062551 372289246 /nfs/dbraw/zinc/28/92/46/372289246.db2.gz OGSVSUAQJTYSCF-CYBMUJFWSA-N 1 1 271.364 2.989 50 0 CFAAMO ClC1=CC[C@@H]2C[N@@H+](CCN3CCCCC3)C[C@H]2C1 ZINC000022456132 372246069 /nfs/dbraw/zinc/24/60/69/372246069.db2.gz VBAVWASTSFNHBO-ZIAGYGMSSA-N 1 1 268.832 2.937 50 0 CFAAMO ClC1=CC[C@@H]2CN(CC[NH+]3CCCCC3)C[C@H]2C1 ZINC000022456132 372246075 /nfs/dbraw/zinc/24/60/75/372246075.db2.gz VBAVWASTSFNHBO-ZIAGYGMSSA-N 1 1 268.832 2.937 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)no1 ZINC000025440001 372300245 /nfs/dbraw/zinc/30/02/45/372300245.db2.gz BBQUUEIHSVLQPA-HNNXBMFYSA-N 1 1 299.374 2.629 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)no1 ZINC000025440001 372300251 /nfs/dbraw/zinc/30/02/51/372300251.db2.gz BBQUUEIHSVLQPA-HNNXBMFYSA-N 1 1 299.374 2.629 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2F)on1 ZINC000022911106 372248698 /nfs/dbraw/zinc/24/86/98/372248698.db2.gz WZKPSMDJWZEJAW-QWRGUYRKSA-N 1 1 291.326 2.800 50 0 CFAAMO C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023280117 372255901 /nfs/dbraw/zinc/25/59/01/372255901.db2.gz BYUQNZUEIVXXEE-UPJWGTAASA-N 1 1 251.345 2.866 50 0 CFAAMO COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000023281285 372256045 /nfs/dbraw/zinc/25/60/45/372256045.db2.gz QEMBANSDAFYAQF-AWEZNQCLSA-N 1 1 298.386 2.546 50 0 CFAAMO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023280112 372257078 /nfs/dbraw/zinc/25/70/78/372257078.db2.gz BYUQNZUEIVXXEE-RWMBFGLXSA-N 1 1 251.345 2.866 50 0 CFAAMO Cc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)c(C)c1 ZINC000023471810 372260468 /nfs/dbraw/zinc/26/04/68/372260468.db2.gz RUNNMQWVTBLAMJ-NVXWUHKLSA-N 1 1 258.409 2.972 50 0 CFAAMO C[C@@H](CNC(=O)[C@@H]1CC=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025632474 372305287 /nfs/dbraw/zinc/30/52/87/372305287.db2.gz QLKATBRDSZLUFA-DOTOQJQBSA-N 1 1 298.430 2.906 50 0 CFAAMO CC[C@@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000029672435 372384508 /nfs/dbraw/zinc/38/45/08/372384508.db2.gz ROVNIPALHJLWJK-CYBMUJFWSA-N 1 1 285.391 2.902 50 0 CFAAMO C[C@H](c1ccc(-c2ncccn2)cc1)[NH+]1CCOCC1 ZINC000032561851 372446207 /nfs/dbraw/zinc/44/62/07/372446207.db2.gz DUQSEPHPJDDUEY-CYBMUJFWSA-N 1 1 269.348 2.537 50 0 CFAAMO CCN1C[C@@H](C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1=O ZINC000032581006 372446331 /nfs/dbraw/zinc/44/63/31/372446331.db2.gz LYWFJQXOQYQPTH-HUUCEWRRSA-N 1 1 274.408 2.590 50 0 CFAAMO C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000032611229 372450583 /nfs/dbraw/zinc/45/05/83/372450583.db2.gz IBIODXRBIPGNBP-RDJZCZTQSA-N 1 1 286.419 2.910 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000032753351 372459633 /nfs/dbraw/zinc/45/96/33/372459633.db2.gz ZDIHSIUQMOVKFF-CYBMUJFWSA-N 1 1 284.359 2.852 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000032753351 372459642 /nfs/dbraw/zinc/45/96/42/372459642.db2.gz ZDIHSIUQMOVKFF-CYBMUJFWSA-N 1 1 284.359 2.852 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000032870879 372470417 /nfs/dbraw/zinc/47/04/17/372470417.db2.gz GWMHXVCEYOXNMH-AWEZNQCLSA-N 1 1 283.375 2.894 50 0 CFAAMO C[N@@H+](CCNC(=O)c1cc2ccccn2c1)C1CCCCC1 ZINC000033138746 372484527 /nfs/dbraw/zinc/48/45/27/372484527.db2.gz VYROUTSZYSGYHD-UHFFFAOYSA-N 1 1 299.418 2.934 50 0 CFAAMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)CC ZINC000036095251 372558217 /nfs/dbraw/zinc/55/82/17/372558217.db2.gz ZMHWVCSPNJNJAA-AWEZNQCLSA-N 1 1 251.370 2.678 50 0 CFAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000036382138 372574945 /nfs/dbraw/zinc/57/49/45/372574945.db2.gz DPEGBKCRHNDOHE-RHSMWYFYSA-N 1 1 286.419 2.740 50 0 CFAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000036382138 372574951 /nfs/dbraw/zinc/57/49/51/372574951.db2.gz DPEGBKCRHNDOHE-RHSMWYFYSA-N 1 1 286.419 2.740 50 0 CFAAMO CC[N@@H+]1CCC[C@H]1CNCc1c(C)nc2sc(C)cn12 ZINC000036820533 372599628 /nfs/dbraw/zinc/59/96/28/372599628.db2.gz CMGIJEVAXIBGMO-ZDUSSCGKSA-N 1 1 292.452 2.587 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNCc1c(C)nc2sc(C)cn12 ZINC000036820533 372599632 /nfs/dbraw/zinc/59/96/32/372599632.db2.gz CMGIJEVAXIBGMO-ZDUSSCGKSA-N 1 1 292.452 2.587 50 0 CFAAMO Cc1n[nH]cc1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036901564 372608583 /nfs/dbraw/zinc/60/85/83/372608583.db2.gz DPKYPWJMZHMYFJ-KRWDZBQOSA-N 1 1 284.407 2.645 50 0 CFAAMO COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000037089738 372647285 /nfs/dbraw/zinc/64/72/85/372647285.db2.gz PLEAWPZYQXMBFZ-NSHDSACASA-N 1 1 266.360 2.579 50 0 CFAAMO COCC[N@@H+](Cc1ccc(F)c2cccnc12)C1CC1 ZINC000044975468 373012246 /nfs/dbraw/zinc/01/22/46/373012246.db2.gz GVJNTFMWJSJFPM-UHFFFAOYSA-N 1 1 274.339 2.985 50 0 CFAAMO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1F ZINC000048234682 373154364 /nfs/dbraw/zinc/15/43/64/373154364.db2.gz PCNAKGVWKRCFCW-UHFFFAOYSA-N 1 1 272.323 2.557 50 0 CFAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1F ZINC000048234682 373154373 /nfs/dbraw/zinc/15/43/73/373154373.db2.gz PCNAKGVWKRCFCW-UHFFFAOYSA-N 1 1 272.323 2.557 50 0 CFAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000048275301 373158256 /nfs/dbraw/zinc/15/82/56/373158256.db2.gz GMIUUGBXDSNFRF-CQSZACIVSA-N 1 1 298.430 2.780 50 0 CFAAMO c1ccc2oc(N[C@@H]3CC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000048336911 373165198 /nfs/dbraw/zinc/16/51/98/373165198.db2.gz IHURGJULAVSZMF-DGCLKSJQSA-N 1 1 257.337 2.867 50 0 CFAAMO Cc1cc(N2CCO[C@H](c3ccccc3)C2)nc(C)[nH+]1 ZINC000048433396 373180971 /nfs/dbraw/zinc/18/09/71/373180971.db2.gz PXQDEZUPAJFJDX-HNNXBMFYSA-N 1 1 269.348 2.671 50 0 CFAAMO C[N@H+](Cc1nc(C2CC2)no1)C1Cc2ccccc2C1 ZINC000049000736 373248460 /nfs/dbraw/zinc/24/84/60/373248460.db2.gz UHIDQVWUVASFDF-UHFFFAOYSA-N 1 1 269.348 2.546 50 0 CFAAMO C[N@@H+](Cc1nc(C2CC2)no1)C1Cc2ccccc2C1 ZINC000049000736 373248466 /nfs/dbraw/zinc/24/84/66/373248466.db2.gz UHIDQVWUVASFDF-UHFFFAOYSA-N 1 1 269.348 2.546 50 0 CFAAMO Cc1[nH+]ccn1CCNC(=O)c1cccc2ccccc21 ZINC000049460862 373300032 /nfs/dbraw/zinc/30/00/32/373300032.db2.gz MYSMRVJAWYUZIV-UHFFFAOYSA-N 1 1 279.343 2.775 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000051203926 373389520 /nfs/dbraw/zinc/38/95/20/373389520.db2.gz VSIPJRKEEBBXHO-LBPRGKRZSA-N 1 1 276.767 2.845 50 0 CFAAMO COCC[N@H+](Cc1cc(C)nn1C)Cc1sccc1C ZINC000055155032 373543316 /nfs/dbraw/zinc/54/33/16/373543316.db2.gz LVKFOKBPNSXXKU-UHFFFAOYSA-N 1 1 293.436 2.747 50 0 CFAAMO COCC[N@@H+](Cc1cc(C)nn1C)Cc1sccc1C ZINC000055155032 373543326 /nfs/dbraw/zinc/54/33/26/373543326.db2.gz LVKFOKBPNSXXKU-UHFFFAOYSA-N 1 1 293.436 2.747 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1ccc2ccccc21 ZINC000055208665 373544065 /nfs/dbraw/zinc/54/40/65/373544065.db2.gz PYZQDWAOWWHKFK-MRXNPFEDSA-N 1 1 299.418 2.632 50 0 CFAAMO Cc1ccc(OCC[N@H+](C)Cc2ccc(CO)o2)c(C)c1 ZINC000055211980 373546523 /nfs/dbraw/zinc/54/65/23/373546523.db2.gz XDYXDLSVRASUDJ-UHFFFAOYSA-N 1 1 289.375 2.900 50 0 CFAAMO COCC[N@H+](Cc1cccs1)Cc1ccc(OC)nc1 ZINC000055413251 373552271 /nfs/dbraw/zinc/55/22/71/373552271.db2.gz KUBZDTRLGJQYFJ-UHFFFAOYSA-N 1 1 292.404 2.800 50 0 CFAAMO COCC[N@@H+](Cc1cccs1)Cc1ccc(OC)nc1 ZINC000055413251 373552276 /nfs/dbraw/zinc/55/22/76/373552276.db2.gz KUBZDTRLGJQYFJ-UHFFFAOYSA-N 1 1 292.404 2.800 50 0 CFAAMO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(C)cc1C ZINC000058064324 373625459 /nfs/dbraw/zinc/62/54/59/373625459.db2.gz KRIUPKLGEWAJBD-CQSZACIVSA-N 1 1 262.397 2.650 50 0 CFAAMO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C)cc1C ZINC000058064324 373625468 /nfs/dbraw/zinc/62/54/68/373625468.db2.gz KRIUPKLGEWAJBD-CQSZACIVSA-N 1 1 262.397 2.650 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNc2ncccn2)cc1F ZINC000058165914 373629855 /nfs/dbraw/zinc/62/98/55/373629855.db2.gz ILAKEIDGPCSAQD-UHFFFAOYSA-N 1 1 283.310 2.722 50 0 CFAAMO COc1c(C[NH2+][C@@H](C)c2cc(C)oc2C)c(C)nn1C ZINC000058308587 373644804 /nfs/dbraw/zinc/64/48/04/373644804.db2.gz GHLNFRGZAGWXIZ-JTQLQIEISA-N 1 1 277.368 2.798 50 0 CFAAMO CCn1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000058392841 373652223 /nfs/dbraw/zinc/65/22/23/373652223.db2.gz OPWAHMYQOMNPHS-INIZCTEOSA-N 1 1 298.390 2.506 50 0 CFAAMO CCn1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000058392841 373652227 /nfs/dbraw/zinc/65/22/27/373652227.db2.gz OPWAHMYQOMNPHS-INIZCTEOSA-N 1 1 298.390 2.506 50 0 CFAAMO O=C(NCC(F)(F)F)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057827374 373613950 /nfs/dbraw/zinc/61/39/50/373613950.db2.gz LIENHOPOMIERCO-LBPRGKRZSA-N 1 1 286.297 2.502 50 0 CFAAMO CN(C)C(=O)CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000060041729 373689014 /nfs/dbraw/zinc/68/90/14/373689014.db2.gz QQQBOHREVDQBCZ-UHFFFAOYSA-N 1 1 274.408 2.767 50 0 CFAAMO C[N@@H+](CCC[C@H]1CCCO1)Cc1ccc2c(c1)OCCO2 ZINC000065492664 373879910 /nfs/dbraw/zinc/87/99/10/373879910.db2.gz TZOPVDZVVLLTCH-HNNXBMFYSA-N 1 1 291.391 2.849 50 0 CFAAMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1cccc3c1OCO3)CC2 ZINC000065528749 373882425 /nfs/dbraw/zinc/88/24/25/373882425.db2.gz ASFQNGMXMGVHDQ-YOEHRIQHSA-N 1 1 289.375 2.542 50 0 CFAAMO Cc1n[nH]c(C)c1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000065539090 373885296 /nfs/dbraw/zinc/88/52/96/373885296.db2.gz SOYDYCDPSLUSBI-UHFFFAOYSA-N 1 1 289.770 2.617 50 0 CFAAMO CCc1[nH+]ccn1Cc1nc(-c2ccccc2C)no1 ZINC000065224647 373850916 /nfs/dbraw/zinc/85/09/16/373850916.db2.gz LUYGYHIITCEFSB-UHFFFAOYSA-N 1 1 268.320 2.852 50 0 CFAAMO CCOc1cccc(-c2noc(Cn3cc[nH+]c3C)n2)c1 ZINC000065224638 373850957 /nfs/dbraw/zinc/85/09/57/373850957.db2.gz YRMPFBLLYBYBNF-UHFFFAOYSA-N 1 1 284.319 2.689 50 0 CFAAMO O=C1CCCN1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065393732 373863181 /nfs/dbraw/zinc/86/31/81/373863181.db2.gz DUHZSUYMXZBYSH-MRXNPFEDSA-N 1 1 272.392 2.521 50 0 CFAAMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000065395417 373863579 /nfs/dbraw/zinc/86/35/79/373863579.db2.gz SIZUKBPZUGRNPC-CQSZACIVSA-N 1 1 298.386 2.916 50 0 CFAAMO Cn1ccnc1C[N@@H+](C[C@H]1CCOC(C)(C)C1)C1CC1 ZINC000065433090 373870686 /nfs/dbraw/zinc/87/06/86/373870686.db2.gz STJQVIXNGIGYBC-ZDUSSCGKSA-N 1 1 277.412 2.590 50 0 CFAAMO Cc1nc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)oc1C ZINC000065454383 373873452 /nfs/dbraw/zinc/87/34/52/373873452.db2.gz VAVKVIYOOKTAOB-CQSZACIVSA-N 1 1 286.379 2.620 50 0 CFAAMO Cc1nc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)oc1C ZINC000065454383 373873457 /nfs/dbraw/zinc/87/34/57/373873457.db2.gz VAVKVIYOOKTAOB-CQSZACIVSA-N 1 1 286.379 2.620 50 0 CFAAMO Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CCCCC2)no1 ZINC000065983605 373906862 /nfs/dbraw/zinc/90/68/62/373906862.db2.gz CBSDXYUYHDNQGI-UHFFFAOYSA-N 1 1 294.399 2.711 50 0 CFAAMO Cc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000066054544 373909764 /nfs/dbraw/zinc/90/97/64/373909764.db2.gz IKBHBWSKAGCUHE-AWEZNQCLSA-N 1 1 276.380 2.876 50 0 CFAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@H]1CO ZINC000067787997 374002161 /nfs/dbraw/zinc/00/21/61/374002161.db2.gz QJNWZVJFTRVNJP-HNNXBMFYSA-N 1 1 286.375 2.915 50 0 CFAAMO Cc1cc(C(=O)N2CC[N@H+](C(C)C)[C@@H](C)C2)ccc1F ZINC000067817666 374004952 /nfs/dbraw/zinc/00/49/52/374004952.db2.gz DQOQXFZMIRVFSL-ZDUSSCGKSA-N 1 1 278.371 2.689 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CCNC(=O)c2ncoc2C(C)C)C1 ZINC000067491227 373982054 /nfs/dbraw/zinc/98/20/54/373982054.db2.gz LZGQOKNYVQVKGX-ZDUSSCGKSA-N 1 1 293.411 2.650 50 0 CFAAMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000069597299 374079469 /nfs/dbraw/zinc/07/94/69/374079469.db2.gz LEBYHMRFHRPOSR-HNNXBMFYSA-N 1 1 297.402 2.699 50 0 CFAAMO Clc1ccc(OCCN2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000069370016 374057579 /nfs/dbraw/zinc/05/75/79/374057579.db2.gz NZZXDNKKRSQUGE-OAHLLOKOSA-N 1 1 294.826 2.889 50 0 CFAAMO COc1cccc(-c2noc(C[N@@H+](C)[C@@H](C)C3CC3)n2)c1 ZINC000069415195 374059516 /nfs/dbraw/zinc/05/95/16/374059516.db2.gz RWNMHLDGHNNVTE-NSHDSACASA-N 1 1 287.363 2.976 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000069489677 374068351 /nfs/dbraw/zinc/06/83/51/374068351.db2.gz KPZKKQMSCCAWDR-SJORKVTESA-N 1 1 297.402 2.867 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069491692 374068571 /nfs/dbraw/zinc/06/85/71/374068571.db2.gz BTNVJXOYUPKCPZ-GJZGRUSLSA-N 1 1 276.355 2.525 50 0 CFAAMO Cc1ncc2c(n1)C[N@H+](CCO[C@H]1CCCC[C@@H]1C)CC2 ZINC000069520642 374070380 /nfs/dbraw/zinc/07/03/80/374070380.db2.gz OKMNXOKRHKNCBJ-GUYCJALGSA-N 1 1 289.423 2.738 50 0 CFAAMO Cc1ncc2c(n1)C[N@@H+](CCO[C@H]1CCCC[C@@H]1C)CC2 ZINC000069520642 374070385 /nfs/dbraw/zinc/07/03/85/374070385.db2.gz OKMNXOKRHKNCBJ-GUYCJALGSA-N 1 1 289.423 2.738 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000069901954 374109142 /nfs/dbraw/zinc/10/91/42/374109142.db2.gz MHMKXWWBGQPUFB-LSDHHAIUSA-N 1 1 273.380 2.711 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2Cc2c(C)noc2C)c1 ZINC000070040805 374119556 /nfs/dbraw/zinc/11/95/56/374119556.db2.gz YESADRWKWXJXHD-HNNXBMFYSA-N 1 1 288.395 2.851 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC3CCCC3)C2)n1 ZINC000069842263 374102291 /nfs/dbraw/zinc/10/22/91/374102291.db2.gz ABPWSXFXKYBWIZ-INIZCTEOSA-N 1 1 276.428 2.797 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2)cn1 ZINC000069848137 374104389 /nfs/dbraw/zinc/10/43/89/374104389.db2.gz RTYMKITXVZVRGJ-HNNXBMFYSA-N 1 1 259.328 2.896 50 0 CFAAMO Cc1ccc(F)cc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069843122 374104968 /nfs/dbraw/zinc/10/49/68/374104968.db2.gz XQWHOQGWVLLDJR-CVEARBPZSA-N 1 1 290.382 2.833 50 0 CFAAMO Cc1ccc(F)cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000069843120 374105835 /nfs/dbraw/zinc/10/58/35/374105835.db2.gz XQWHOQGWVLLDJR-HZPDHXFCSA-N 1 1 290.382 2.833 50 0 CFAAMO C[N@@H+]1CCN(C(=O)CCc2ccco2)c2ccccc2C1 ZINC000069894638 374106799 /nfs/dbraw/zinc/10/67/99/374106799.db2.gz OOFWEEVRGKJDSP-UHFFFAOYSA-N 1 1 284.359 2.691 50 0 CFAAMO C[N@H+]1CCN(C(=O)CCc2ccco2)c2ccccc2C1 ZINC000069894638 374106804 /nfs/dbraw/zinc/10/68/04/374106804.db2.gz OOFWEEVRGKJDSP-UHFFFAOYSA-N 1 1 284.359 2.691 50 0 CFAAMO CN(C)[C@@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072448182 374253193 /nfs/dbraw/zinc/25/31/93/374253193.db2.gz YZPKZQDEVQNUJZ-QGZVFWFLSA-N 1 1 290.451 2.526 50 0 CFAAMO CN(C)[C@@H]1CC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072448182 374253199 /nfs/dbraw/zinc/25/31/99/374253199.db2.gz YZPKZQDEVQNUJZ-QGZVFWFLSA-N 1 1 290.451 2.526 50 0 CFAAMO Nc1ccnc(N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072434891 374253726 /nfs/dbraw/zinc/25/37/26/374253726.db2.gz FJBMCAPAETYHKC-AWEZNQCLSA-N 1 1 289.427 2.515 50 0 CFAAMO CC[C@@](C)(NCC[NH+]1CCCCC1)c1nccs1 ZINC000072684963 374277438 /nfs/dbraw/zinc/27/74/38/374277438.db2.gz KRJMFBPHUWSJSW-CQSZACIVSA-N 1 1 267.442 2.844 50 0 CFAAMO Cc1cnn(CC[NH2+]Cc2nc(-c3ccco3)oc2C)c1 ZINC000072253160 374237737 /nfs/dbraw/zinc/23/77/37/374237737.db2.gz ZRDKFGWFWZOZEI-UHFFFAOYSA-N 1 1 286.335 2.538 50 0 CFAAMO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2nc(C)c(C)o2)c1 ZINC000072269882 374238712 /nfs/dbraw/zinc/23/87/12/374238712.db2.gz PCKNLXIJODFYLQ-ZYHUDNBSSA-N 1 1 262.357 2.536 50 0 CFAAMO Cc1csc([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)n1 ZINC000072273900 374239580 /nfs/dbraw/zinc/23/95/80/374239580.db2.gz OFGNJHAWOFEUIB-CYBMUJFWSA-N 1 1 295.452 2.845 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000075130941 374459539 /nfs/dbraw/zinc/45/95/39/374459539.db2.gz HSRCGDOEPSLKPP-ZDUSSCGKSA-N 1 1 273.336 2.516 50 0 CFAAMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)o1 ZINC000075137040 374461797 /nfs/dbraw/zinc/46/17/97/374461797.db2.gz YBIJCDVXXJDOTN-LLVKDONJSA-N 1 1 289.331 2.965 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)o1 ZINC000075137040 374461805 /nfs/dbraw/zinc/46/18/05/374461805.db2.gz YBIJCDVXXJDOTN-LLVKDONJSA-N 1 1 289.331 2.965 50 0 CFAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2)C1 ZINC000075921672 374512595 /nfs/dbraw/zinc/51/25/95/374512595.db2.gz KYGBQECUITXZHO-KGLIPLIRSA-N 1 1 278.421 2.841 50 0 CFAAMO c1cncc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000078890676 374573460 /nfs/dbraw/zinc/57/34/60/374573460.db2.gz OMPZJUQMMVBJGV-CQSZACIVSA-N 1 1 284.363 2.722 50 0 CFAAMO O=c1cc(C[N@@H+]2CCSC3(CCCCC3)C2)occ1O ZINC000079504214 374615656 /nfs/dbraw/zinc/61/56/56/374615656.db2.gz HFOUSTLIUCFNKZ-UHFFFAOYSA-N 1 1 295.404 2.597 50 0 CFAAMO O=c1cc(C[N@H+]2CCSC3(CCCCC3)C2)occ1O ZINC000079504214 374615661 /nfs/dbraw/zinc/61/56/61/374615661.db2.gz HFOUSTLIUCFNKZ-UHFFFAOYSA-N 1 1 295.404 2.597 50 0 CFAAMO CNC(=O)c1cccc(CCNc2cc[nH+]cc2Cl)c1 ZINC000083882333 374758909 /nfs/dbraw/zinc/75/89/09/374758909.db2.gz UPQIBWIWBDOMAF-UHFFFAOYSA-N 1 1 289.766 2.749 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cs1 ZINC000082096542 374725951 /nfs/dbraw/zinc/72/59/51/374725951.db2.gz QILBUBAOMYMIND-GFCCVEGCSA-N 1 1 276.409 2.565 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cs1 ZINC000082096542 374725954 /nfs/dbraw/zinc/72/59/54/374725954.db2.gz QILBUBAOMYMIND-GFCCVEGCSA-N 1 1 276.409 2.565 50 0 CFAAMO Cc1nn(C)c2ncc(C[N@H+]3CCc4ccccc4C3)cc12 ZINC000084067805 374762663 /nfs/dbraw/zinc/76/26/63/374762663.db2.gz JUCSIRADDXRGLX-UHFFFAOYSA-N 1 1 292.386 2.835 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC(C2CC2)C2CC2)C1 ZINC000084597486 374784116 /nfs/dbraw/zinc/78/41/16/374784116.db2.gz GKARATYDYVGKNL-CYBMUJFWSA-N 1 1 293.455 2.595 50 0 CFAAMO Cc1cc(C)c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)[nH]1 ZINC000089568592 374923149 /nfs/dbraw/zinc/92/31/49/374923149.db2.gz IRMPHEOBOWKQQB-UHFFFAOYSA-N 1 1 283.375 2.724 50 0 CFAAMO Cc1cc(C)c(C(=O)N2CC[N@H+](C)Cc3ccccc32)[nH]1 ZINC000089568592 374923156 /nfs/dbraw/zinc/92/31/56/374923156.db2.gz IRMPHEOBOWKQQB-UHFFFAOYSA-N 1 1 283.375 2.724 50 0 CFAAMO CC1(C)[C@H](Nc2cc[nH+]cc2Cl)[C@H]2CCO[C@@H]21 ZINC000089917618 374969218 /nfs/dbraw/zinc/96/92/18/374969218.db2.gz XKAWRWQSAQYDHK-FXAINCCUSA-N 1 1 252.745 2.960 50 0 CFAAMO Cc1ccnc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000089701902 374939102 /nfs/dbraw/zinc/93/91/02/374939102.db2.gz QBMWLOVWYBPMBA-QGZVFWFLSA-N 1 1 297.402 2.657 50 0 CFAAMO Cc1ccnc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000089701902 374939108 /nfs/dbraw/zinc/93/91/08/374939108.db2.gz QBMWLOVWYBPMBA-QGZVFWFLSA-N 1 1 297.402 2.657 50 0 CFAAMO OCC[N@@H+](Cc1ccncc1)[C@H]1CCc2ccccc21 ZINC000089858127 374961259 /nfs/dbraw/zinc/96/12/59/374961259.db2.gz LHUITZQCIBUTAB-KRWDZBQOSA-N 1 1 268.360 2.563 50 0 CFAAMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894294 374964421 /nfs/dbraw/zinc/96/44/21/374964421.db2.gz DYRKSLCHXYRGMT-NWDGAFQWSA-N 1 1 292.404 2.996 50 0 CFAAMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000089894294 374964425 /nfs/dbraw/zinc/96/44/25/374964425.db2.gz DYRKSLCHXYRGMT-NWDGAFQWSA-N 1 1 292.404 2.996 50 0 CFAAMO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccn[nH]1 ZINC000089904213 374966770 /nfs/dbraw/zinc/96/67/70/374966770.db2.gz WHSVCBHPKADUCG-SNVBAGLBSA-N 1 1 294.196 2.893 50 0 CFAAMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000089942801 374974974 /nfs/dbraw/zinc/97/49/74/374974974.db2.gz ODHMIEBZJPOPHE-HOCLYGCPSA-N 1 1 287.407 2.768 50 0 CFAAMO Oc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812826 375158989 /nfs/dbraw/zinc/15/89/89/375158989.db2.gz FVZXIMHQGKPNBA-OAHLLOKOSA-N 1 1 283.375 2.721 50 0 CFAAMO C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCSCC1 ZINC000092871906 375166028 /nfs/dbraw/zinc/16/60/28/375166028.db2.gz PTZWICCHVJOESX-UHFFFAOYSA-N 1 1 279.405 2.785 50 0 CFAAMO Cc1cscc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000253420418 189990938 /nfs/dbraw/zinc/99/09/38/189990938.db2.gz WXHWYPRVRKVTLU-NSHDSACASA-N 1 1 254.399 2.515 50 0 CFAAMO CSC[C@H]1CCC[N@H+]1Cc1cccc2c[nH]nc21 ZINC000093760989 375308184 /nfs/dbraw/zinc/30/81/84/375308184.db2.gz RGZMTMBYMZXYSP-CYBMUJFWSA-N 1 1 261.394 2.890 50 0 CFAAMO CCOC(C[N@@H+](C)Cc1cccc(OC)c1)OCC ZINC000095470429 375459357 /nfs/dbraw/zinc/45/93/57/375459357.db2.gz QKWQWYRIEZKDJJ-UHFFFAOYSA-N 1 1 267.369 2.526 50 0 CFAAMO CCC1CCC(CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000095351221 375417437 /nfs/dbraw/zinc/41/74/37/375417437.db2.gz OHPXECZGUNJMPK-GPANFISMSA-N 1 1 295.471 2.796 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](CCCn1cc(C)cn1)CC2 ZINC000095354185 375417675 /nfs/dbraw/zinc/41/76/75/375417675.db2.gz SFNVFTVRHORNMQ-UHFFFAOYSA-N 1 1 299.418 2.691 50 0 CFAAMO Fc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000096137667 375469723 /nfs/dbraw/zinc/46/97/23/375469723.db2.gz RUUOJOSOCSKCIO-UHFFFAOYSA-N 1 1 272.323 2.720 50 0 CFAAMO CCOC(=O)/C=C1/CCC[N@@H+](Cc2ccccc2)C1 ZINC000095348138 375418187 /nfs/dbraw/zinc/41/81/87/375418187.db2.gz BKZNISJDCQIXKP-PTNGSMBKSA-N 1 1 259.349 2.772 50 0 CFAAMO CCc1noc(CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000095358197 375419821 /nfs/dbraw/zinc/41/98/21/375419821.db2.gz WYXUZKBRQBCHIE-QWHCGFSZSA-N 1 1 263.385 2.829 50 0 CFAAMO CCCC1(NC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095378649 375425066 /nfs/dbraw/zinc/42/50/66/375425066.db2.gz GIOSHLXFQFPZIE-CQSZACIVSA-N 1 1 278.371 2.877 50 0 CFAAMO CCCCSc1nc(NCc2cccnc2)cc(N)[nH+]1 ZINC000095377060 375425296 /nfs/dbraw/zinc/42/52/96/375425296.db2.gz UGYBMGVKROIYHT-UHFFFAOYSA-N 1 1 289.408 2.958 50 0 CFAAMO CCCCSc1nc(N)cc(NCc2cccnc2)[nH+]1 ZINC000095377060 375425303 /nfs/dbraw/zinc/42/53/03/375425303.db2.gz UGYBMGVKROIYHT-UHFFFAOYSA-N 1 1 289.408 2.958 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(F)c1 ZINC000095382621 375426888 /nfs/dbraw/zinc/42/68/88/375426888.db2.gz QPVJTNKIMCPJBS-HNNXBMFYSA-N 1 1 278.371 2.706 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNc1ncnc2nc(C)cc(C)c21 ZINC000095382901 375427563 /nfs/dbraw/zinc/42/75/63/375427563.db2.gz UDLMYKZJUFTNMY-ZDUSSCGKSA-N 1 1 285.395 2.538 50 0 CFAAMO CC(C)n1cc[nH+]c1Cn1cccc(C(F)(F)F)c1=O ZINC000095392965 375430263 /nfs/dbraw/zinc/43/02/63/375430263.db2.gz ZACNIOORDYPSGM-UHFFFAOYSA-N 1 1 285.269 2.693 50 0 CFAAMO CCOCC[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000095400878 375431687 /nfs/dbraw/zinc/43/16/87/375431687.db2.gz GBRYVOCKRMFZME-CQSZACIVSA-N 1 1 273.380 2.710 50 0 CFAAMO Cc1cc(C)nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000095405418 375433128 /nfs/dbraw/zinc/43/31/28/375433128.db2.gz MFYKUPHGRAESES-CABCVRRESA-N 1 1 274.412 2.545 50 0 CFAAMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000095426364 375443879 /nfs/dbraw/zinc/44/38/79/375443879.db2.gz PAPBWLBFFVLBHD-KGLIPLIRSA-N 1 1 288.439 2.695 50 0 CFAAMO Cc1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)no1 ZINC000095437980 375449365 /nfs/dbraw/zinc/44/93/65/375449365.db2.gz HDRCMDLBDOCLCQ-QGZVFWFLSA-N 1 1 286.375 2.756 50 0 CFAAMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)no1 ZINC000095437980 375449367 /nfs/dbraw/zinc/44/93/67/375449367.db2.gz HDRCMDLBDOCLCQ-QGZVFWFLSA-N 1 1 286.375 2.756 50 0 CFAAMO CCCc1[nH+]ccn1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000095438665 375449463 /nfs/dbraw/zinc/44/94/63/375449463.db2.gz NUECLJHLMULWMN-ZDUSSCGKSA-N 1 1 299.374 2.757 50 0 CFAAMO CCCc1[nH+]ccn1CC[S@](=O)c1ccccc1 ZINC000095441051 375450555 /nfs/dbraw/zinc/45/05/55/375450555.db2.gz XZEAUXILHVKHGR-GOSISDBHSA-N 1 1 262.378 2.643 50 0 CFAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)o1 ZINC000096212210 375476927 /nfs/dbraw/zinc/47/69/27/375476927.db2.gz NNSTWPCZXAVEIR-OAHLLOKOSA-N 1 1 281.396 2.586 50 0 CFAAMO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000097228377 375542532 /nfs/dbraw/zinc/54/25/32/375542532.db2.gz DPYDUVCANHHBHH-RKDXNWHRSA-N 1 1 276.306 2.606 50 0 CFAAMO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000097228374 375542575 /nfs/dbraw/zinc/54/25/75/375542575.db2.gz DPYDUVCANHHBHH-BDAKNGLRSA-N 1 1 276.306 2.606 50 0 CFAAMO COc1ccc(C)[nH+]c1NCc1cccc2c[nH]nc21 ZINC000097045283 375499282 /nfs/dbraw/zinc/49/92/82/375499282.db2.gz FPKDCBRZQJSTMM-UHFFFAOYSA-N 1 1 268.320 2.887 50 0 CFAAMO CC[N@@H+]1Cc2cccc(NC(=O)c3cc(C)on3)c2C1 ZINC000097046490 375501302 /nfs/dbraw/zinc/50/13/02/375501302.db2.gz OSXJYMZBYZCXJK-UHFFFAOYSA-N 1 1 271.320 2.571 50 0 CFAAMO CC[N@H+]1Cc2cccc(NC(=O)c3cc(C)on3)c2C1 ZINC000097046490 375501303 /nfs/dbraw/zinc/50/13/03/375501303.db2.gz OSXJYMZBYZCXJK-UHFFFAOYSA-N 1 1 271.320 2.571 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000097099672 375516844 /nfs/dbraw/zinc/51/68/44/375516844.db2.gz JNRQQBRGVOMEQV-OAHLLOKOSA-N 1 1 275.392 2.926 50 0 CFAAMO CC1(C)C[C@@H]([NH2+]Cc2nc(-c3ccoc3)no2)C(C)(C)O1 ZINC000097100412 375517104 /nfs/dbraw/zinc/51/71/04/375517104.db2.gz PAGZCRAQGVIASF-LLVKDONJSA-N 1 1 291.351 2.765 50 0 CFAAMO Cn1nccc1CNC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000097102362 375518751 /nfs/dbraw/zinc/51/87/51/375518751.db2.gz UVEBGJUJJOFJPC-SFHVURJKSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1nccc1CNC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000097102362 375518758 /nfs/dbraw/zinc/51/87/58/375518758.db2.gz UVEBGJUJJOFJPC-SFHVURJKSA-N 1 1 298.434 2.564 50 0 CFAAMO CCc1nnc(C[NH2+][C@@H](C)c2cc(C)sc2C)n1C ZINC000097109685 375521026 /nfs/dbraw/zinc/52/10/26/375521026.db2.gz OEJFCTKSKSOCNP-JTQLQIEISA-N 1 1 278.425 2.907 50 0 CFAAMO Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cncs3)C2)cc1 ZINC000097108645 375521039 /nfs/dbraw/zinc/52/10/39/375521039.db2.gz DXWFZXNULWHQHK-CYBMUJFWSA-N 1 1 278.352 2.936 50 0 CFAAMO CC1([C@H]2CCC[N@@H+](Cc3cccs3)C2)OCCO1 ZINC000097108677 375521756 /nfs/dbraw/zinc/52/17/56/375521756.db2.gz IRBWKUFGDMCEGQ-LBPRGKRZSA-N 1 1 267.394 2.723 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000097137847 375527550 /nfs/dbraw/zinc/52/75/50/375527550.db2.gz BDHTXSKCUQQECH-CQSZACIVSA-N 1 1 295.390 2.823 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000097137847 375527558 /nfs/dbraw/zinc/52/75/58/375527558.db2.gz BDHTXSKCUQQECH-CQSZACIVSA-N 1 1 295.390 2.823 50 0 CFAAMO CCCn1nc(C)c(C[N@H+](C)Cc2ccncc2)c1C ZINC000097375324 375552636 /nfs/dbraw/zinc/55/26/36/375552636.db2.gz GUAUHEFASQAIIY-UHFFFAOYSA-N 1 1 272.396 2.937 50 0 CFAAMO CCCn1nc(C)c(C[N@@H+](C)Cc2ccncc2)c1C ZINC000097375324 375552643 /nfs/dbraw/zinc/55/26/43/375552643.db2.gz GUAUHEFASQAIIY-UHFFFAOYSA-N 1 1 272.396 2.937 50 0 CFAAMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CCCCCC2)s1 ZINC000097374489 375553750 /nfs/dbraw/zinc/55/37/50/375553750.db2.gz XQPYUDIUJYBDNF-UHFFFAOYSA-N 1 1 295.452 2.679 50 0 CFAAMO Cc1cc(C)n2c(C[N@@H+](C)[C@H](C)c3ccccn3)cnc2n1 ZINC000097375252 375553782 /nfs/dbraw/zinc/55/37/82/375553782.db2.gz GELKCZYPBPLGBQ-CQSZACIVSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cc(C)n2c(C[N@H+](C)[C@H](C)c3ccccn3)cnc2n1 ZINC000097375252 375553788 /nfs/dbraw/zinc/55/37/88/375553788.db2.gz GELKCZYPBPLGBQ-CQSZACIVSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cnc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)o1 ZINC000097378913 375556789 /nfs/dbraw/zinc/55/67/89/375556789.db2.gz ZYNUHQGWGXEGOT-ZDUSSCGKSA-N 1 1 291.420 2.923 50 0 CFAAMO Cc1cc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)no1 ZINC000097378398 375557438 /nfs/dbraw/zinc/55/74/38/375557438.db2.gz TZOBIOFFNNEGJC-ZDUSSCGKSA-N 1 1 291.420 2.923 50 0 CFAAMO CCOc1ccccc1CNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000097575095 375568261 /nfs/dbraw/zinc/56/82/61/375568261.db2.gz OWOACSNAMIPAKW-OAHLLOKOSA-N 1 1 290.407 2.576 50 0 CFAAMO C[N@@H+](Cc1cnccn1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000097618990 375575715 /nfs/dbraw/zinc/57/57/15/375575715.db2.gz QSXZCIJPERBBJZ-ZFWWWQNUSA-N 1 1 257.381 2.901 50 0 CFAAMO Cc1n[nH]c(C[N@H+]2CCC[C@@](CO)(CC(C)C)C2)c1Cl ZINC000097660479 375577173 /nfs/dbraw/zinc/57/71/73/375577173.db2.gz GKKWMIPCNBPFQQ-OAHLLOKOSA-N 1 1 299.846 2.992 50 0 CFAAMO Cc1n[nH]c(C[N@@H+]2CCC[C@@](CO)(CC(C)C)C2)c1Cl ZINC000097660479 375577177 /nfs/dbraw/zinc/57/71/77/375577177.db2.gz GKKWMIPCNBPFQQ-OAHLLOKOSA-N 1 1 299.846 2.992 50 0 CFAAMO COc1cc2c(cc1O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]2O ZINC000103214921 375720559 /nfs/dbraw/zinc/72/05/59/375720559.db2.gz QVZIJKZJCCSTJP-NVXWUHKLSA-N 1 1 299.370 2.663 50 0 CFAAMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000106865459 375803340 /nfs/dbraw/zinc/80/33/40/375803340.db2.gz BCLLHURIICTNQZ-PBHICJAKSA-N 1 1 285.391 2.608 50 0 CFAAMO COC[C@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000153618906 378500051 /nfs/dbraw/zinc/50/00/51/378500051.db2.gz QHUUURZGOLIYTC-LBPRGKRZSA-N 1 1 279.384 2.586 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000153618906 378500057 /nfs/dbraw/zinc/50/00/57/378500057.db2.gz QHUUURZGOLIYTC-LBPRGKRZSA-N 1 1 279.384 2.586 50 0 CFAAMO C[C@@H](CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499335 194014079 /nfs/dbraw/zinc/01/40/79/194014079.db2.gz NGHNZZFELNBHNY-GOEBONIOSA-N 1 1 295.448 2.689 50 0 CFAAMO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CC2CCCCCC2)C1 ZINC000408516319 380936018 /nfs/dbraw/zinc/93/60/18/380936018.db2.gz DXUHTXWXUOHJMG-CABCVRRESA-N 1 1 292.427 2.845 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2F)C1 ZINC000189134002 382551343 /nfs/dbraw/zinc/55/13/43/382551343.db2.gz RZGDENCVMOKFQR-LBPRGKRZSA-N 1 1 298.789 2.779 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)C2(CO)CCOCC2)c(C)c1 ZINC000190987284 382687451 /nfs/dbraw/zinc/68/74/51/382687451.db2.gz WMEVSYLIVZXSNU-UHFFFAOYSA-N 1 1 277.408 2.585 50 0 CFAAMO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1nc(-c2cccc(F)c2)no1 ZINC000191533229 382701356 /nfs/dbraw/zinc/70/13/56/382701356.db2.gz AERCVERYEKOSKV-KWBADKCTSA-N 1 1 291.326 2.704 50 0 CFAAMO CC[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccccc1F ZINC000195553581 382769505 /nfs/dbraw/zinc/76/95/05/382769505.db2.gz YOOYSCQODXIZLZ-MRXNPFEDSA-N 1 1 294.414 2.977 50 0 CFAAMO Cc1ccccc1-c1cccc(C[N@H+](C)[C@H]2COC[C@@H]2O)c1 ZINC000215071653 382777382 /nfs/dbraw/zinc/77/73/82/382777382.db2.gz WKJZJIULOCGMLJ-OALUTQOASA-N 1 1 297.398 2.854 50 0 CFAAMO COc1ccc(/C=C/CN(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000215069968 382777443 /nfs/dbraw/zinc/77/74/43/382777443.db2.gz ICZQKKDLJMANNP-NBUZRDOWSA-N 1 1 274.408 2.734 50 0 CFAAMO Clc1cccc2c1CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000215441439 382778854 /nfs/dbraw/zinc/77/88/54/382778854.db2.gz NUYVLMPJSPEGBX-LLVKDONJSA-N 1 1 251.757 2.735 50 0 CFAAMO C[N@@H+](CCn1cccn1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000215734620 382780180 /nfs/dbraw/zinc/78/01/80/382780180.db2.gz NAPUUPZNNRYNFD-AWEZNQCLSA-N 1 1 291.420 2.928 50 0 CFAAMO Cn1cc(CC[N@@H+](C)Cc2ccc(F)cc2Cl)cn1 ZINC000215865848 382780768 /nfs/dbraw/zinc/78/07/68/382780768.db2.gz RSQAVNKHQYKIRG-UHFFFAOYSA-N 1 1 281.762 2.887 50 0 CFAAMO Cc1nccn1CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000215837223 382780941 /nfs/dbraw/zinc/78/09/41/382780941.db2.gz AGEXNNVHENSWQQ-AWEZNQCLSA-N 1 1 257.381 2.927 50 0 CFAAMO CO[C@H]1CCC[N@@H+](Cc2ccc3ccn(C)c3c2)C1 ZINC000215976543 382781444 /nfs/dbraw/zinc/78/14/44/382781444.db2.gz QWFGKRYLMOBPMM-HNNXBMFYSA-N 1 1 258.365 2.789 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cccc3ncccc13)C2 ZINC000216308538 382782951 /nfs/dbraw/zinc/78/29/51/382782951.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 1 1 281.403 2.761 50 0 CFAAMO CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc3ncccc23)C1 ZINC000216308538 382782953 /nfs/dbraw/zinc/78/29/53/382782953.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 1 1 281.403 2.761 50 0 CFAAMO CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000216308538 382782955 /nfs/dbraw/zinc/78/29/55/382782955.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 1 1 281.403 2.761 50 0 CFAAMO CCCn1cc(CN(C)C[C@H]2CCCC[N@H+]2C)c(C)n1 ZINC000216412333 382783616 /nfs/dbraw/zinc/78/36/16/382783616.db2.gz IWZARZZHMDJRIH-MRXNPFEDSA-N 1 1 278.444 2.518 50 0 CFAAMO COc1ccc(F)c(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000216528132 382784093 /nfs/dbraw/zinc/78/40/93/382784093.db2.gz NRNSFENJVMJVIA-CQSZACIVSA-N 1 1 267.344 2.835 50 0 CFAAMO COc1ccc(F)c(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000216528132 382784094 /nfs/dbraw/zinc/78/40/94/382784094.db2.gz NRNSFENJVMJVIA-CQSZACIVSA-N 1 1 267.344 2.835 50 0 CFAAMO C[NH+]1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000217746948 382788063 /nfs/dbraw/zinc/78/80/63/382788063.db2.gz DVZOGENVNAKVSS-UHFFFAOYSA-N 1 1 279.693 2.506 50 0 CFAAMO CSc1ccc(C(=O)N(C)C[C@@]2(C)CC[N@@H+](C)C2)cc1 ZINC000218812975 382790865 /nfs/dbraw/zinc/79/08/65/382790865.db2.gz VPRCTMUGZSNBHB-INIZCTEOSA-N 1 1 292.448 2.822 50 0 CFAAMO CSc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000194377282 382742763 /nfs/dbraw/zinc/74/27/63/382742763.db2.gz CCWZZFNCHWTIDA-TZMCWYRMSA-N 1 1 290.432 2.575 50 0 CFAAMO COc1cc(NC(=O)N2CCC[N@@H+](C)CC2)ccc1Cl ZINC000194406339 382743282 /nfs/dbraw/zinc/74/32/82/382743282.db2.gz SDLHDAZVPMXFFK-UHFFFAOYSA-N 1 1 297.786 2.518 50 0 CFAAMO C=Cn1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cn1 ZINC000194675840 382751761 /nfs/dbraw/zinc/75/17/61/382751761.db2.gz CSYWEWOHDQMPAE-BBRMVZONSA-N 1 1 268.364 2.962 50 0 CFAAMO C=Cn1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000194675803 382751803 /nfs/dbraw/zinc/75/18/03/382751803.db2.gz CSYWEWOHDQMPAE-XJKSGUPXSA-N 1 1 268.364 2.962 50 0 CFAAMO C[C@H](C[N@H+]1CC[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000221919848 382800374 /nfs/dbraw/zinc/80/03/74/382800374.db2.gz MMFRHRRTGDGTNL-VXGBXAGGSA-N 1 1 253.773 2.758 50 0 CFAAMO CCC1CCC([N@@H+](CCO)Cc2cncs2)CC1 ZINC000225414008 382816001 /nfs/dbraw/zinc/81/60/01/382816001.db2.gz CTZFIJCRTNGZAB-UHFFFAOYSA-N 1 1 268.426 2.906 50 0 CFAAMO CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000225450016 382816511 /nfs/dbraw/zinc/81/65/11/382816511.db2.gz DFBBERXTNDTUEW-MRXNPFEDSA-N 1 1 282.472 2.999 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000225597169 382818931 /nfs/dbraw/zinc/81/89/31/382818931.db2.gz YYRQMOOKWCSNJS-CYBMUJFWSA-N 1 1 281.363 2.737 50 0 CFAAMO C[C@@H](C(=O)N1CCCC1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000229300876 382851031 /nfs/dbraw/zinc/85/10/31/382851031.db2.gz FFHLQVHGZCQFMF-DZGCQCFKSA-N 1 1 290.382 2.626 50 0 CFAAMO CO[C@@H](C[N@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000225785893 382821513 /nfs/dbraw/zinc/82/15/13/382821513.db2.gz ZHZBSMOHGWAUKG-ROUUACIJSA-N 1 1 298.386 2.922 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC000229405625 382851593 /nfs/dbraw/zinc/85/15/93/382851593.db2.gz WIKKCNHOYZSCNF-UKRRQHHQSA-N 1 1 284.359 2.845 50 0 CFAAMO Cc1cccc(C2(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000229394957 382851611 /nfs/dbraw/zinc/85/16/11/382851611.db2.gz YBMDOAUFRURFGB-IRXDYDNUSA-N 1 1 298.430 2.770 50 0 CFAAMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000229694934 382853254 /nfs/dbraw/zinc/85/32/54/382853254.db2.gz KHKHBMOJXSMUPN-LSDHHAIUSA-N 1 1 298.471 2.676 50 0 CFAAMO O=c1cc(C[N@H+]2C[C@@H]3CCCCC[C@H]32)nc2sccn21 ZINC000230173270 382857145 /nfs/dbraw/zinc/85/71/45/382857145.db2.gz WANMWISPJBPVNA-WCQYABFASA-N 1 1 289.404 2.521 50 0 CFAAMO CC[N@@H+](C)[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000241644680 382983925 /nfs/dbraw/zinc/98/39/25/382983925.db2.gz PSQUPPMMUBMSFA-LLVKDONJSA-N 1 1 273.302 2.631 50 0 CFAAMO CCc1cc2c(ncnc2N2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000242389616 382986184 /nfs/dbraw/zinc/98/61/84/382986184.db2.gz ZYUPFFVHIXMUKZ-NSHDSACASA-N 1 1 288.420 2.538 50 0 CFAAMO C[N@@H+](CCCn1cccn1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244691736 382989465 /nfs/dbraw/zinc/98/94/65/382989465.db2.gz JIGDRYLBTZIZHT-KRWDZBQOSA-N 1 1 298.434 2.732 50 0 CFAAMO C[N@@H+](CCC[C@@H]1CCCO1)CCn1cnc2ccccc21 ZINC000244633554 382989863 /nfs/dbraw/zinc/98/98/63/382989863.db2.gz GEVQCIQMHJEYBP-OAHLLOKOSA-N 1 1 287.407 2.927 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccn1)[N@@H+](C)C1Cc2ccccc2C1 ZINC000244734289 382990848 /nfs/dbraw/zinc/99/08/48/382990848.db2.gz NCTWTSNKKSJGBV-ZDUSSCGKSA-N 1 1 295.386 2.508 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@H+](CCc3csc(C)n3)C2)n1 ZINC000244723694 382991620 /nfs/dbraw/zinc/99/16/20/382991620.db2.gz MFPSIWHJOPQPDI-OAHLLOKOSA-N 1 1 290.436 2.754 50 0 CFAAMO CSCC[N@@H+](C)CCC(=O)Nc1cc(F)ccc1F ZINC000244898804 382994063 /nfs/dbraw/zinc/99/40/63/382994063.db2.gz ZBXKGGDWBVXEKJ-UHFFFAOYSA-N 1 1 288.363 2.588 50 0 CFAAMO C[N@@H+](CCn1ccc2ccccc21)C[C@H]1CCOC1 ZINC000244873004 382994390 /nfs/dbraw/zinc/99/43/90/382994390.db2.gz WIFUAAFMVFCXGE-CQSZACIVSA-N 1 1 258.365 2.610 50 0 CFAAMO FCCC[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000585123540 383116298 /nfs/dbraw/zinc/11/62/98/383116298.db2.gz PEQSHPDZSMCFAT-UHFFFAOYSA-N 1 1 264.388 2.596 50 0 CFAAMO Cc1ccccc1N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000248125111 383213450 /nfs/dbraw/zinc/21/34/50/383213450.db2.gz UMTBBLMYQMIVBJ-MRXNPFEDSA-N 1 1 274.408 2.544 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC)C[C@@H]2C)C12CCC2 ZINC000247950020 383202341 /nfs/dbraw/zinc/20/23/41/383202341.db2.gz DXSRRUVTCJPAEB-YHUYYLMFSA-N 1 1 280.456 2.654 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000248032408 383207607 /nfs/dbraw/zinc/20/76/07/383207607.db2.gz MDALECPGBHVTDH-QWHCGFSZSA-N 1 1 293.436 2.540 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000248113019 383211786 /nfs/dbraw/zinc/21/17/86/383211786.db2.gz HXCSZFBHJUHVJO-HUUCEWRRSA-N 1 1 294.345 2.664 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H]2CCCC[C@H]2C)C1 ZINC000248498303 383251198 /nfs/dbraw/zinc/25/11/98/383251198.db2.gz ROOYBKJWKRKOHG-FVQBIDKESA-N 1 1 266.429 2.613 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248757438 383288329 /nfs/dbraw/zinc/28/83/29/383288329.db2.gz VMAMOKVKDSNLMQ-WCQYABFASA-N 1 1 253.773 2.851 50 0 CFAAMO Clc1ccc(N2CCC(N3CCC[NH2+]CC3)CC2)cc1 ZINC000426404206 383398826 /nfs/dbraw/zinc/39/88/26/383398826.db2.gz HRKDZPKGTCBIJO-UHFFFAOYSA-N 1 1 293.842 2.604 50 0 CFAAMO COCc1n[nH]c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426436561 383399712 /nfs/dbraw/zinc/39/97/12/383399712.db2.gz OABKWCBUEPBNIO-GFCCVEGCSA-N 1 1 286.379 2.775 50 0 CFAAMO CC1(C)C[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000426668275 383408771 /nfs/dbraw/zinc/40/87/71/383408771.db2.gz IASQXXYOJKRDKF-CQSZACIVSA-N 1 1 299.374 2.513 50 0 CFAAMO CC(C)(C)OC[C@@H](O)C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000252477594 383410430 /nfs/dbraw/zinc/41/04/30/383410430.db2.gz RBEWWLMOEZDQGL-WUPYBSFASA-N 1 1 281.440 2.673 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)nc1 ZINC000252481596 383411501 /nfs/dbraw/zinc/41/15/01/383411501.db2.gz COYFQBKHCVHTAC-AWEZNQCLSA-N 1 1 270.380 2.747 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)[C@H](C)c2ccccn2)c(C)c1=O ZINC000253536736 383462336 /nfs/dbraw/zinc/46/23/36/383462336.db2.gz MNIWBAFSWSXXOB-CYBMUJFWSA-N 1 1 271.364 2.992 50 0 CFAAMO Cc1c[nH]c(C[N@H+](C)[C@H](C)c2ccccn2)c(C)c1=O ZINC000253536736 383462340 /nfs/dbraw/zinc/46/23/40/383462340.db2.gz MNIWBAFSWSXXOB-CYBMUJFWSA-N 1 1 271.364 2.992 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)C3CC3)C2)n1C(C)C ZINC000257177219 383489670 /nfs/dbraw/zinc/48/96/70/383489670.db2.gz DMRAJHQMBVMNAL-ZDUSSCGKSA-N 1 1 275.396 2.573 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)NC(C)C)C2)n1C1CC1 ZINC000257185166 383492211 /nfs/dbraw/zinc/49/22/11/383492211.db2.gz WDBRWALWYDGAKR-ZDUSSCGKSA-N 1 1 290.411 2.509 50 0 CFAAMO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271162554 385357668 /nfs/dbraw/zinc/35/76/68/385357668.db2.gz QNCMDHHFODENMW-OAHLLOKOSA-N 1 1 257.381 2.694 50 0 CFAAMO C[NH+](C)[C@@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000271162554 385357672 /nfs/dbraw/zinc/35/76/72/385357672.db2.gz QNCMDHHFODENMW-OAHLLOKOSA-N 1 1 257.381 2.694 50 0 CFAAMO C[N@@H+](CCc1cccs1)[C@H]1Cc2ccccc2[C@H]1O ZINC000271901298 385396771 /nfs/dbraw/zinc/39/67/71/385396771.db2.gz GVFKIVFMTIHTFR-JKSUJKDBSA-N 1 1 273.401 2.881 50 0 CFAAMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc2ccccc2n1 ZINC000274452987 385801856 /nfs/dbraw/zinc/80/18/56/385801856.db2.gz IYJLNYMDPJLENP-OAHLLOKOSA-N 1 1 298.434 2.673 50 0 CFAAMO COC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000221860639 285273068 /nfs/dbraw/zinc/27/30/68/285273068.db2.gz WRLCGEFUOINNKD-GDBMZVCRSA-N 1 1 291.391 2.568 50 0 CFAAMO Cc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)s1 ZINC000093646099 184700775 /nfs/dbraw/zinc/70/07/75/184700775.db2.gz KMWVRYPEVBASEE-UHFFFAOYSA-N 1 1 262.382 2.554 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](CC[C@H]1CCOC1)CC2 ZINC000095366565 184954561 /nfs/dbraw/zinc/95/45/61/184954561.db2.gz POIYVOXQZMNEAJ-AWEZNQCLSA-N 1 1 275.392 2.522 50 0 CFAAMO COc1cc(C)c(C[N@@H+](C)C2CCOCC2)cc1C ZINC000097743040 533568409 /nfs/dbraw/zinc/56/84/09/533568409.db2.gz DPOBJGHAZHDTLM-UHFFFAOYSA-N 1 1 263.381 2.923 50 0 CFAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1C ZINC000020560850 542642689 /nfs/dbraw/zinc/64/26/89/542642689.db2.gz XYJWJMNIRLYLTQ-CQSZACIVSA-N 1 1 287.411 2.623 50 0 CFAAMO c1cn(-c2ccc(C[N@H+]3CCO[C@H]4CCC[C@H]43)cc2)cn1 ZINC000245338713 131085660 /nfs/dbraw/zinc/08/56/60/131085660.db2.gz NZJMBOSCGSHZHF-SJORKVTESA-N 1 1 283.375 2.626 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1C ZINC000003830195 393454884 /nfs/dbraw/zinc/45/48/84/393454884.db2.gz UVAZQQHAVMNMHE-BBRMVZONSA-N 1 1 261.365 2.807 50 0 world CFAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCC(C)C ZINC000050276496 393616240 /nfs/dbraw/zinc/61/62/40/393616240.db2.gz LTPHARQPCDORDG-CYBMUJFWSA-N 1 1 280.437 2.830 50 0 CFAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC(C)C ZINC000050276496 393616247 /nfs/dbraw/zinc/61/62/47/393616247.db2.gz LTPHARQPCDORDG-CYBMUJFWSA-N 1 1 280.437 2.830 50 0 CFAAMO Cc1ccc(NCCCNC(=O)CCC(F)(F)F)[nH+]c1 ZINC000220188288 393761573 /nfs/dbraw/zinc/76/15/73/393761573.db2.gz NGJBHJPLHWJCNZ-UHFFFAOYSA-N 1 1 289.301 2.651 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000218899578 393759262 /nfs/dbraw/zinc/75/92/62/393759262.db2.gz HCSUCLBRKZHRTF-ZDUSSCGKSA-N 1 1 274.389 2.767 50 0 CFAAMO CC(C)c1ccc([C@@H](C)[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000096501971 393834732 /nfs/dbraw/zinc/83/47/32/393834732.db2.gz NWSNLKFCOBAPNK-CQSZACIVSA-N 1 1 289.423 2.957 50 0 CFAAMO CCOC[C@@H]1CCC[N@@H+](Cc2cnc3c(C)cccn23)C1 ZINC000093419283 393798631 /nfs/dbraw/zinc/79/86/31/393798631.db2.gz FFEIMICWGSUBMK-OAHLLOKOSA-N 1 1 287.407 2.891 50 0 CFAAMO Cc1n[nH]cc1C[N@@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095522731 393813029 /nfs/dbraw/zinc/81/30/29/393813029.db2.gz QYPLVBXOVZSWDT-AWEZNQCLSA-N 1 1 285.391 2.791 50 0 CFAAMO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095522731 393813033 /nfs/dbraw/zinc/81/30/33/393813033.db2.gz QYPLVBXOVZSWDT-AWEZNQCLSA-N 1 1 285.391 2.791 50 0 CFAAMO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095522731 393813036 /nfs/dbraw/zinc/81/30/36/393813036.db2.gz QYPLVBXOVZSWDT-AWEZNQCLSA-N 1 1 285.391 2.791 50 0 CFAAMO Cc1ccc(C[NH2+]C2CCN(C)CC2)c(Br)c1 ZINC000095973511 393814756 /nfs/dbraw/zinc/81/47/56/393814756.db2.gz UQPLYSMFHBAGKA-UHFFFAOYSA-N 1 1 297.240 2.941 50 0 CFAAMO c1ccc(SCC[N@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000096410320 393824052 /nfs/dbraw/zinc/82/40/52/393824052.db2.gz XGBCLKIRBGUILM-AWEZNQCLSA-N 1 1 293.432 2.864 50 0 CFAAMO C(C[N@H+]1CCCN(C2CCOCC2)CC1)C1CCCC1 ZINC000096424483 393829867 /nfs/dbraw/zinc/82/98/67/393829867.db2.gz OMRGPMUQDVNNFR-UHFFFAOYSA-N 1 1 280.456 2.753 50 0 CFAAMO C(CN1CCC[N@@H+](C2CCOCC2)CC1)C1CCCC1 ZINC000096424483 393829869 /nfs/dbraw/zinc/82/98/69/393829869.db2.gz OMRGPMUQDVNNFR-UHFFFAOYSA-N 1 1 280.456 2.753 50 0 CFAAMO C(CN1CCC[N@H+](C2CCOCC2)CC1)C1CCCC1 ZINC000096424483 393829873 /nfs/dbraw/zinc/82/98/73/393829873.db2.gz OMRGPMUQDVNNFR-UHFFFAOYSA-N 1 1 280.456 2.753 50 0 CFAAMO CC(C)[N@H+](Cc1cn(C)nn1)[C@H](C)c1ccccc1 ZINC000428864321 393919718 /nfs/dbraw/zinc/91/97/18/393919718.db2.gz SWOAANNWFIGPDL-CYBMUJFWSA-N 1 1 258.369 2.787 50 0 CFAAMO CC(C)[N@@H+](Cc1cn(C)nn1)[C@H](C)c1ccccc1 ZINC000428864321 393919719 /nfs/dbraw/zinc/91/97/19/393919719.db2.gz SWOAANNWFIGPDL-CYBMUJFWSA-N 1 1 258.369 2.787 50 0 CFAAMO CSC1(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000367382208 394255174 /nfs/dbraw/zinc/25/51/74/394255174.db2.gz QWQLWVXEAULQDG-OAHLLOKOSA-N 1 1 276.449 2.871 50 0 CFAAMO CCOC(=O)[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000094272803 135086064 /nfs/dbraw/zinc/08/60/64/135086064.db2.gz JLGABKPJPQVNIV-JTQLQIEISA-N 1 1 268.744 2.515 50 0 CFAAMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000047298355 397584803 /nfs/dbraw/zinc/58/48/03/397584803.db2.gz XFASWBDYVSDHCO-HNNXBMFYSA-N 1 1 290.382 2.564 50 0 CFAAMO CN1CCC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1=O ZINC000012072458 397537992 /nfs/dbraw/zinc/53/79/92/397537992.db2.gz TVPBRNLWOJIDEC-INIZCTEOSA-N 1 1 292.810 2.784 50 0 CFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)Cc1cccs1 ZINC000047174624 397584203 /nfs/dbraw/zinc/58/42/03/397584203.db2.gz SAIVBDSLDSNVTL-UHFFFAOYSA-N 1 1 298.371 2.818 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000104642166 397596237 /nfs/dbraw/zinc/59/62/37/397596237.db2.gz QTJRTZZZOZKBGA-LSDHHAIUSA-N 1 1 287.407 2.956 50 0 CFAAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000108119151 397598070 /nfs/dbraw/zinc/59/80/70/397598070.db2.gz PAPBWLBFFVLBHD-ZIAGYGMSSA-N 1 1 288.439 2.695 50 0 CFAAMO Cc1[nH+]cn(CCNc2nc3ccccc3o2)c1C ZINC000825284757 782008641 /nfs/dbraw/zinc/00/86/41/782008641.db2.gz GYLUJOGJLUBHNV-UHFFFAOYSA-N 1 1 256.309 2.753 50 0 CFAAMO CC[NH+](CC)Cc1nc(-c2sccc2C)no1 ZINC000350429557 163079811 /nfs/dbraw/zinc/07/98/11/163079811.db2.gz JJXUAZVMZGSSJN-UHFFFAOYSA-N 1 1 251.355 2.948 50 0 CFAAMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000004977802 170048046 /nfs/dbraw/zinc/04/80/46/170048046.db2.gz ZHJZXADIBCJIRW-OAHLLOKOSA-N 1 1 261.365 2.913 50 0 CFAAMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000004977802 170048047 /nfs/dbraw/zinc/04/80/47/170048047.db2.gz ZHJZXADIBCJIRW-OAHLLOKOSA-N 1 1 261.365 2.913 50 0 CFAAMO C[C@H]([NH3+])c1nnc(SCc2cccc(F)c2)o1 ZINC000005097927 170065666 /nfs/dbraw/zinc/06/56/66/170065666.db2.gz KBSDQOMTNCLNGG-ZETCQYMHSA-N 1 1 253.302 2.521 50 0 CFAAMO COc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000005674914 170126860 /nfs/dbraw/zinc/12/68/60/170126860.db2.gz PSKNANIPKWZEDL-OAHLLOKOSA-N 1 1 293.407 2.699 50 0 CFAAMO COc1ccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000005722063 170133199 /nfs/dbraw/zinc/13/31/99/170133199.db2.gz OXMWHERAWFMKDW-ZNMIVQPWSA-N 1 1 293.407 2.698 50 0 CFAAMO Cc1[nH+]ccn1C[C@H](O)COc1ccc2ccccc2c1 ZINC000005728742 170133979 /nfs/dbraw/zinc/13/39/79/170133979.db2.gz ORAJIJKLGLUESL-INIZCTEOSA-N 1 1 282.343 2.785 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006007724 170167525 /nfs/dbraw/zinc/16/75/25/170167525.db2.gz DZTFRAZLIMYVBL-BETUJISGSA-N 1 1 288.391 2.806 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006007724 170167528 /nfs/dbraw/zinc/16/75/28/170167528.db2.gz DZTFRAZLIMYVBL-BETUJISGSA-N 1 1 288.391 2.806 50 0 CFAAMO Nc1ccc(C=Cc2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000006444736 170201963 /nfs/dbraw/zinc/20/19/63/170201963.db2.gz YFVRRUJVGAAROY-FPYGCLRLSA-N 1 1 250.305 2.898 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000006669410 170224465 /nfs/dbraw/zinc/22/44/65/170224465.db2.gz LWONNVYFLPSQRG-UHFFFAOYSA-N 1 1 285.391 2.562 50 0 CFAAMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000007340574 170277735 /nfs/dbraw/zinc/27/77/35/170277735.db2.gz IVZQCSMNIORQGV-ZDUSSCGKSA-N 1 1 290.411 2.669 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000007340574 170277736 /nfs/dbraw/zinc/27/77/36/170277736.db2.gz IVZQCSMNIORQGV-ZDUSSCGKSA-N 1 1 290.411 2.669 50 0 CFAAMO CC(C)c1ccc(NC(=S)N2CC[NH+](C)CC2)cc1 ZINC000007522261 170288230 /nfs/dbraw/zinc/28/82/30/170288230.db2.gz PLHOTRPLZWARHD-UHFFFAOYSA-N 1 1 277.437 2.754 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000007636288 170294352 /nfs/dbraw/zinc/29/43/52/170294352.db2.gz YFADKVPPSMOCDV-MRXNPFEDSA-N 1 1 277.408 2.999 50 0 CFAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000008118970 170319617 /nfs/dbraw/zinc/31/96/17/170319617.db2.gz PBTYUZWEEGFHQY-ZDUSSCGKSA-N 1 1 276.380 2.817 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3cccs3)nc12 ZINC000009314620 170371375 /nfs/dbraw/zinc/37/13/75/170371375.db2.gz DKPJDYNLNFFVKX-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3cccs3)nc12 ZINC000009314620 170371376 /nfs/dbraw/zinc/37/13/76/170371376.db2.gz DKPJDYNLNFFVKX-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000009530799 170380977 /nfs/dbraw/zinc/38/09/77/170380977.db2.gz JNYWCJVGQRGAPR-LBPRGKRZSA-N 1 1 290.388 2.908 50 0 CFAAMO C[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000013021923 170529217 /nfs/dbraw/zinc/52/92/17/170529217.db2.gz XDKDLOUXNBAMFP-JTQLQIEISA-N 1 1 291.782 2.808 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000013021923 170529218 /nfs/dbraw/zinc/52/92/18/170529218.db2.gz XDKDLOUXNBAMFP-JTQLQIEISA-N 1 1 291.782 2.808 50 0 CFAAMO CN1CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC000019537205 170826598 /nfs/dbraw/zinc/82/65/98/170826598.db2.gz LBYSAHLSOCYWOF-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO C[N@@H+]1CCCN(Cc2ccc3ccccc3c2)CC1 ZINC000019537205 170826599 /nfs/dbraw/zinc/82/65/99/170826599.db2.gz LBYSAHLSOCYWOF-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO C[N@H+]1CCCN(Cc2ccc3ccccc3c2)CC1 ZINC000019537205 170826600 /nfs/dbraw/zinc/82/66/00/170826600.db2.gz LBYSAHLSOCYWOF-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO COc1ccc(CC[C@H](C)[N@@H+](C)CCN(C)C)cc1 ZINC000019636667 170832992 /nfs/dbraw/zinc/83/29/92/170832992.db2.gz HAZUIYBYHVIOTO-AWEZNQCLSA-N 1 1 264.413 2.510 50 0 CFAAMO c1ccc(C[N@H+]2CC[C@@H](Nc3cccnc3)C2)cc1 ZINC000020595765 171264592 /nfs/dbraw/zinc/26/45/92/171264592.db2.gz DJGWRASYZQYGLL-MRXNPFEDSA-N 1 1 253.349 2.768 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(C[C@H]2CCCO2)no1 ZINC000020598289 171266322 /nfs/dbraw/zinc/26/63/22/171266322.db2.gz SBRBQESALDXQRL-FRRDWIJNSA-N 1 1 279.384 2.554 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(C[C@H]2CCCO2)no1 ZINC000020598289 171266324 /nfs/dbraw/zinc/26/63/24/171266324.db2.gz SBRBQESALDXQRL-FRRDWIJNSA-N 1 1 279.384 2.554 50 0 CFAAMO CCCOc1ccc(CNCC[NH+](C)C)cc1Cl ZINC000020967404 171282355 /nfs/dbraw/zinc/28/23/55/171282355.db2.gz NDYSFNCFNOWRLY-UHFFFAOYSA-N 1 1 270.804 2.780 50 0 CFAAMO c1cc([C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)n[nH]1 ZINC000020992247 171283840 /nfs/dbraw/zinc/28/38/40/171283840.db2.gz BVJMONLBXWTBKK-LBPRGKRZSA-N 1 1 285.347 2.518 50 0 CFAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccsc3)sc2C1 ZINC000021295650 171300694 /nfs/dbraw/zinc/30/06/94/171300694.db2.gz OYLJEDYFHWNLGK-UHFFFAOYSA-N 1 1 293.417 2.835 50 0 CFAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccsc3)sc2C1 ZINC000021295650 171300695 /nfs/dbraw/zinc/30/06/95/171300695.db2.gz OYLJEDYFHWNLGK-UHFFFAOYSA-N 1 1 293.417 2.835 50 0 CFAAMO CSCC[C@@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000021511386 171310586 /nfs/dbraw/zinc/31/05/86/171310586.db2.gz VWQLZXDFPMWBEV-SSDOTTSWSA-N 1 1 255.368 2.551 50 0 CFAAMO C[C@H]1C[NH2+][C@H](c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000022113767 171353197 /nfs/dbraw/zinc/35/31/97/171353197.db2.gz JCGKNAFPLNQLDQ-JSGCOSHPSA-N 1 1 276.380 2.957 50 0 CFAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCc2ccccc21 ZINC000035535095 172243559 /nfs/dbraw/zinc/24/35/59/172243559.db2.gz YDOLWJGGSBXITL-UHFFFAOYSA-N 1 1 292.382 2.634 50 0 CFAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCc2ccccc21 ZINC000035535095 172243560 /nfs/dbraw/zinc/24/35/60/172243560.db2.gz YDOLWJGGSBXITL-UHFFFAOYSA-N 1 1 292.382 2.634 50 0 CFAAMO C[C@H](NC(=O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000037227773 173047845 /nfs/dbraw/zinc/04/78/45/173047845.db2.gz OFOCZDFREVXPSD-HNNXBMFYSA-N 1 1 294.398 2.922 50 0 CFAAMO C[C@H](NC(=O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000037227773 173047847 /nfs/dbraw/zinc/04/78/47/173047847.db2.gz OFOCZDFREVXPSD-HNNXBMFYSA-N 1 1 294.398 2.922 50 0 CFAAMO CC(C)(C)CN1CC[N@@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039509390 174169372 /nfs/dbraw/zinc/16/93/72/174169372.db2.gz OGYSBXYIQUDCJG-QGZVFWFLSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@@H+]1CCN(CC2CCCCC2)[C@H](CCO)C1 ZINC000039509390 174169373 /nfs/dbraw/zinc/16/93/73/174169373.db2.gz OGYSBXYIQUDCJG-QGZVFWFLSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)(C)C[N@H+]1CCN(CC2CCCCC2)[C@H](CCO)C1 ZINC000039509390 174169375 /nfs/dbraw/zinc/16/93/75/174169375.db2.gz OGYSBXYIQUDCJG-QGZVFWFLSA-N 1 1 296.499 2.981 50 0 CFAAMO CCc1ccc(C(=O)N2CC[NH+](CC=C(C)C)CC2)cc1 ZINC000040071713 174186958 /nfs/dbraw/zinc/18/69/58/174186958.db2.gz OJAHTWATUJVRPQ-UHFFFAOYSA-N 1 1 286.419 2.973 50 0 CFAAMO CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000040120320 174193087 /nfs/dbraw/zinc/19/30/87/174193087.db2.gz DJQHEPRIZRJBTA-KRWDZBQOSA-N 1 1 286.419 2.836 50 0 CFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000040513558 174305774 /nfs/dbraw/zinc/30/57/74/174305774.db2.gz YMADLJHYTNWWMW-NSHDSACASA-N 1 1 293.798 2.946 50 0 CFAAMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000045221758 175330635 /nfs/dbraw/zinc/33/06/35/175330635.db2.gz YPYXIMNGQKQNSF-AWEZNQCLSA-N 1 1 291.395 2.571 50 0 CFAAMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000045221758 175330637 /nfs/dbraw/zinc/33/06/37/175330637.db2.gz YPYXIMNGQKQNSF-AWEZNQCLSA-N 1 1 291.395 2.571 50 0 CFAAMO CC(C)=CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046239057 175394959 /nfs/dbraw/zinc/39/49/59/175394959.db2.gz XRHJODLRNXRYQI-UHFFFAOYSA-N 1 1 272.392 2.517 50 0 CFAAMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000071376011 176141304 /nfs/dbraw/zinc/14/13/04/176141304.db2.gz ADQVPTVCHMSGJQ-HUUCEWRRSA-N 1 1 274.408 2.822 50 0 CFAAMO CC[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071746485 176257911 /nfs/dbraw/zinc/25/79/11/176257911.db2.gz SAISRPOALMAIFK-MRXNPFEDSA-N 1 1 292.398 2.905 50 0 CFAAMO CCC(CC)CC(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000071761070 176261413 /nfs/dbraw/zinc/26/14/13/176261413.db2.gz QSLCGVUICZLQOV-ZDUSSCGKSA-N 1 1 266.429 2.898 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000071804911 176267140 /nfs/dbraw/zinc/26/71/40/176267140.db2.gz LUADSEZKTGIBCY-AWEZNQCLSA-N 1 1 276.767 2.845 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3C(C)C)nc12 ZINC000071828283 176272340 /nfs/dbraw/zinc/27/23/40/176272340.db2.gz OPKZJJFJMNBAPI-OAHLLOKOSA-N 1 1 285.391 2.623 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000071870701 176283917 /nfs/dbraw/zinc/28/39/17/176283917.db2.gz LMRAAHMLZFXBKZ-LSDHHAIUSA-N 1 1 287.407 2.965 50 0 CFAAMO Cc1nnsc1C[N@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000072162054 176329720 /nfs/dbraw/zinc/32/97/20/176329720.db2.gz PAFQPJAYPDZFCQ-BPNZPQAUSA-N 1 1 263.410 2.715 50 0 CFAAMO c1c(C[NH+]2CC(c3ccncc3)C2)onc1-c1ccccn1 ZINC000072162953 176330648 /nfs/dbraw/zinc/33/06/48/176330648.db2.gz HXQNJNGPVKGVSD-UHFFFAOYSA-N 1 1 292.342 2.731 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)cc(=O)[nH]1 ZINC000072171462 176332843 /nfs/dbraw/zinc/33/28/43/176332843.db2.gz KJGWLHNGRXQEJB-CYBMUJFWSA-N 1 1 289.404 2.519 50 0 CFAAMO Cc1cnn(CCC[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000072171393 176333298 /nfs/dbraw/zinc/33/32/98/176333298.db2.gz HHMFXRSOLUEIEL-INIZCTEOSA-N 1 1 270.380 2.814 50 0 CFAAMO C[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072272802 176355087 /nfs/dbraw/zinc/35/50/87/176355087.db2.gz UXUSCXCCMLCGJF-OCCSQVGLSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072272802 176355089 /nfs/dbraw/zinc/35/50/89/176355089.db2.gz UXUSCXCCMLCGJF-OCCSQVGLSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072272802 176355090 /nfs/dbraw/zinc/35/50/90/176355090.db2.gz UXUSCXCCMLCGJF-OCCSQVGLSA-N 1 1 256.353 2.745 50 0 CFAAMO CC(=O)N1CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC000077247957 177239345 /nfs/dbraw/zinc/23/93/45/177239345.db2.gz DUJHGCUSAIPKQR-UHFFFAOYSA-N 1 1 294.826 2.827 50 0 CFAAMO CC(=O)c1cccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016488358 260099137 /nfs/dbraw/zinc/09/91/37/260099137.db2.gz BOTQWJXDDAYMGN-OKILXGFUSA-N 1 1 291.391 2.767 50 0 CFAAMO CC(=O)c1cccc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016488358 260099138 /nfs/dbraw/zinc/09/91/38/260099138.db2.gz BOTQWJXDDAYMGN-OKILXGFUSA-N 1 1 291.391 2.767 50 0 CFAAMO COc1cc(F)ccc1C[NH2+]Cc1cccnc1N(C)C ZINC000011844251 274096269 /nfs/dbraw/zinc/09/62/69/274096269.db2.gz FEGDGWRVSJVZJY-UHFFFAOYSA-N 1 1 289.354 2.585 50 0 CFAAMO C[C@@H](O)C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](C)O ZINC000000757486 274267055 /nfs/dbraw/zinc/26/70/55/274267055.db2.gz PFJLXTCPXDZCLR-AOOOYVTPSA-N 1 1 292.206 2.557 50 0 CFAAMO O=C1c2ccccc2C(=O)N1C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000002944516 275031238 /nfs/dbraw/zinc/03/12/38/275031238.db2.gz IJHKXSCEURLJGJ-BBRMVZONSA-N 1 1 298.386 2.547 50 0 CFAAMO Oc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000055543300 275061419 /nfs/dbraw/zinc/06/14/19/275061419.db2.gz HWKKVRXGEZWAPE-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO CCSCC[N@H+]1CCC=C([C@H]2CCCCN2C(C)=O)C1 ZINC000065456942 276394790 /nfs/dbraw/zinc/39/47/90/276394790.db2.gz KTYRCCVFTMRDOY-MRXNPFEDSA-N 1 1 296.480 2.773 50 0 CFAAMO C[N@@H+]1CC[C@H](Nc2ncccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339500 277173693 /nfs/dbraw/zinc/17/36/93/277173693.db2.gz TZWOLQHQEQDWJJ-UONOGXRCSA-N 1 1 290.317 2.612 50 0 CFAAMO C[N@H+]1CC[C@H](Nc2ncccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339500 277173694 /nfs/dbraw/zinc/17/36/94/277173694.db2.gz TZWOLQHQEQDWJJ-UONOGXRCSA-N 1 1 290.317 2.612 50 0 CFAAMO CC(C)(C)[C@H](O)C[NH+]1CCN(CC2CCCCC2)CC1 ZINC000069627803 277253819 /nfs/dbraw/zinc/25/38/19/277253819.db2.gz AUXNMCHUNKTRFJ-MRXNPFEDSA-N 1 1 282.472 2.591 50 0 CFAAMO C[C@@H]([NH2+][C@@]1(CO)CCc2ccccc21)c1nccs1 ZINC000097038409 277631059 /nfs/dbraw/zinc/63/10/59/277631059.db2.gz FVUMBTCGQRCAQX-IAQYHMDHSA-N 1 1 274.389 2.628 50 0 CFAAMO CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1 ZINC000095967808 288077850 /nfs/dbraw/zinc/07/78/50/288077850.db2.gz VANCZKSBRLNGBW-PBHICJAKSA-N 1 1 293.430 2.502 50 0 CFAAMO CC(C)C[C@H](C)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000045769757 279102816 /nfs/dbraw/zinc/10/28/16/279102816.db2.gz PWEHIKPFADXMAN-ZDUSSCGKSA-N 1 1 288.391 2.649 50 0 CFAAMO Cc1nn(C)c(C)c1C[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000157720584 279192176 /nfs/dbraw/zinc/19/21/76/279192176.db2.gz IPIOFXQKAHWYBT-LLVKDONJSA-N 1 1 258.369 2.783 50 0 CFAAMO C[NH+]1CCN(CC(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000019368953 326854887 /nfs/dbraw/zinc/85/48/87/326854887.db2.gz LBQKSSNZFPMEQF-UHFFFAOYSA-N 1 1 286.419 2.774 50 0 CFAAMO C[N@H+]1CC[C@H]2CN(Cc3ccc4c(c3)CC(C)(C)O4)C[C@H]21 ZINC000077421062 327132169 /nfs/dbraw/zinc/13/21/69/327132169.db2.gz HVUAJJCRUOGUDO-GOEBONIOSA-N 1 1 286.419 2.536 50 0 CFAAMO CN1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C[C@H]21 ZINC000077421062 327132170 /nfs/dbraw/zinc/13/21/70/327132170.db2.gz HVUAJJCRUOGUDO-GOEBONIOSA-N 1 1 286.419 2.536 50 0 CFAAMO CN1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C[C@H]21 ZINC000077421062 327132171 /nfs/dbraw/zinc/13/21/71/327132171.db2.gz HVUAJJCRUOGUDO-GOEBONIOSA-N 1 1 286.419 2.536 50 0 CFAAMO Cc1cccc(C)c1-n1nnnc1C1([NH+](C)C)CCCC1 ZINC000004257089 336186329 /nfs/dbraw/zinc/18/63/29/336186329.db2.gz RSDMDOIZYSGEOI-UHFFFAOYSA-N 1 1 285.395 2.610 50 0 CFAAMO Cc1nc(C[N@H+](C[C@H](C)O)C2CCCCC2)cs1 ZINC000120645223 534350718 /nfs/dbraw/zinc/35/07/18/534350718.db2.gz MXFBETZOQWZWFI-NSHDSACASA-N 1 1 268.426 2.967 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000067872342 520194297 /nfs/dbraw/zinc/19/42/97/520194297.db2.gz RCBDBQRKSBJTAA-GUNGLEHYSA-N 1 1 266.429 2.827 50 0 CFAAMO CC/C=C(\C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000067872341 520194532 /nfs/dbraw/zinc/19/45/32/520194532.db2.gz RCBDBQRKSBJTAA-WTWVRAIASA-N 1 1 266.429 2.827 50 0 CFAAMO Cc1noc(C[N@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000336463709 526612903 /nfs/dbraw/zinc/61/29/03/526612903.db2.gz JBILWHOPXMCPMC-AWEZNQCLSA-N 1 1 257.337 2.758 50 0 CFAAMO O=C(Nc1cccc(C[NH2+]Cc2ccccn2)c1)C1CC1 ZINC000048367956 527338560 /nfs/dbraw/zinc/33/85/60/527338560.db2.gz FIIUSBKHGRIVPA-UHFFFAOYSA-N 1 1 281.359 2.720 50 0 CFAAMO CCCN1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000000757691 528202691 /nfs/dbraw/zinc/20/26/91/528202691.db2.gz YODGLLGBMCAJGA-UHFFFAOYSA-N 1 1 264.388 2.832 50 0 CFAAMO CC(C)n1ncc2cc(C[N@@H+](C)[C@H]3CCSC3)cnc21 ZINC000096485541 528662676 /nfs/dbraw/zinc/66/26/76/528662676.db2.gz UIJIGLYPRXKYCN-AWEZNQCLSA-N 1 1 290.436 2.950 50 0 CFAAMO CCCc1nnc(SCC[C@H]2CCCC[N@H+]2C)o1 ZINC000122200983 528779351 /nfs/dbraw/zinc/77/93/51/528779351.db2.gz DMURPJSHKXBELN-LLVKDONJSA-N 1 1 269.414 2.989 50 0 CFAAMO CC[C@@H]([NH2+]Cc1nnc(C)n1CC)c1cccs1 ZINC000096502713 529191149 /nfs/dbraw/zinc/19/11/49/529191149.db2.gz FHOBPDODSLJDTL-LLVKDONJSA-N 1 1 264.398 2.909 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)[C@@H]2CC2(C)C)CCCCC1 ZINC000952974490 614850001 /nfs/dbraw/zinc/85/00/01/614850001.db2.gz JMEBPJKHEASLQB-ZDUSSCGKSA-N 1 1 266.429 2.803 50 0 CFAAMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1Cl ZINC000952964514 616367360 /nfs/dbraw/zinc/36/73/60/616367360.db2.gz SSJSQGURLQHGPZ-PHIMTYICSA-N 1 1 279.771 2.650 50 0 CFAAMO Cn1cc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000022918926 618028318 /nfs/dbraw/zinc/02/83/18/618028318.db2.gz LHBCHNPMGMZKAU-GOSISDBHSA-N 1 1 298.434 2.517 50 0 CFAAMO Cc1nc[nH]c1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023282249 618359133 /nfs/dbraw/zinc/35/91/33/618359133.db2.gz NEEWHBLYKLQRPS-UHFFFAOYSA-N 1 1 290.798 2.694 50 0 CFAAMO CCc1noc([C@@H](C)[NH2+][C@H](C)Cc2ccc(C)cn2)n1 ZINC000020209026 618801158 /nfs/dbraw/zinc/80/11/58/618801158.db2.gz QKDKHIIQWPMDNY-VXGBXAGGSA-N 1 1 274.368 2.617 50 0 CFAAMO CO[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000179750233 618855611 /nfs/dbraw/zinc/85/56/11/618855611.db2.gz CTJVUJNYHRCGNZ-INIZCTEOSA-N 1 1 285.391 2.698 50 0 CFAAMO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000888098687 619132413 /nfs/dbraw/zinc/13/24/13/619132413.db2.gz OSABVPDHWXXYOI-QXMXGUDHSA-N 1 1 277.437 2.699 50 0 CFAAMO CCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000874433700 624453131 /nfs/dbraw/zinc/45/31/31/624453131.db2.gz OUKZDAVDCBOARC-ZDUSSCGKSA-N 1 1 295.452 2.540 50 0 CFAAMO CC(C)=CC[N@@H+]1CCC(=O)N(Cc2ccccc2C)CC1 ZINC000012200544 626254498 /nfs/dbraw/zinc/25/44/98/626254498.db2.gz DNWGKYINQFXBBB-UHFFFAOYSA-N 1 1 286.419 2.996 50 0 CFAAMO O[C@@H]1CCC[N@@H+](CCc2c[nH]c3ccccc23)CC1 ZINC000670449183 626408290 /nfs/dbraw/zinc/40/82/90/626408290.db2.gz WTEXVLBGGIXVES-CQSZACIVSA-N 1 1 258.365 2.557 50 0 CFAAMO COC[C@@H](C)[N@H+](Cc1[nH]cnc1C)Cc1cccc(F)c1 ZINC000952984395 650791965 /nfs/dbraw/zinc/79/19/65/650791965.db2.gz UTSPMNRQBVBYCU-GFCCVEGCSA-N 1 1 291.370 2.894 50 0 CFAAMO COC[C@@H](C)[N@@H+](Cc1[nH]cnc1C)Cc1cccc(F)c1 ZINC000952984395 650791968 /nfs/dbraw/zinc/79/19/68/650791968.db2.gz UTSPMNRQBVBYCU-GFCCVEGCSA-N 1 1 291.370 2.894 50 0 CFAAMO COC1(OC)CC2(C[N@@H+](Cc3cc(C)no3)[C@H]2C(C)C)C1 ZINC000877871604 643613525 /nfs/dbraw/zinc/61/35/25/643613525.db2.gz STJWNJCWBPLSBK-AWEZNQCLSA-N 1 1 294.395 2.593 50 0 CFAAMO c1c(C[NH+]2CCC(Oc3cccnc3)CC2)[nH]nc1C1CC1 ZINC000019594863 651291382 /nfs/dbraw/zinc/29/13/82/651291382.db2.gz GXAHQMRCNVBCFL-UHFFFAOYSA-N 1 1 298.390 2.726 50 0 CFAAMO Cc1ccc(C[N@@H+](C)Cc2c(C)nc3ncccn23)o1 ZINC000019760224 651293500 /nfs/dbraw/zinc/29/35/00/651293500.db2.gz LGYROTLWMSMFSI-UHFFFAOYSA-N 1 1 270.336 2.571 50 0 CFAAMO Cc1ccc(C[N@H+](C)Cc2c(C)nc3ncccn23)o1 ZINC000019760224 651293503 /nfs/dbraw/zinc/29/35/03/651293503.db2.gz LGYROTLWMSMFSI-UHFFFAOYSA-N 1 1 270.336 2.571 50 0 CFAAMO C(C1CCCCC1)[C@@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000020774056 651300751 /nfs/dbraw/zinc/30/07/51/651300751.db2.gz ZGHJKJCNZUQEOW-MRXNPFEDSA-N 1 1 267.413 2.837 50 0 CFAAMO C=CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709619555 781315944 /nfs/dbraw/zinc/31/59/44/781315944.db2.gz QPOFVZRQWYSCLL-INIZCTEOSA-N 1 1 272.392 2.733 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)s1 ZINC000821459949 781882253 /nfs/dbraw/zinc/88/22/53/781882253.db2.gz PSVHNXPBMHCASE-GFCCVEGCSA-N 1 1 294.420 2.583 50 0 CFAAMO CC(C)Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)s1 ZINC000821459949 781882263 /nfs/dbraw/zinc/88/22/63/781882263.db2.gz PSVHNXPBMHCASE-GFCCVEGCSA-N 1 1 294.420 2.583 50 0 CFAAMO COC[C@@](C)([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000096492198 230383106 /nfs/dbraw/zinc/38/31/06/230383106.db2.gz LZYYGUYOYDZYGQ-GOSISDBHSA-N 1 1 295.386 2.986 50 0 CFAAMO CCCOCC[N@@H+]1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095505814 185000409 /nfs/dbraw/zinc/00/04/09/185000409.db2.gz OFTBLUIAIZQYMT-UHFFFAOYSA-N 1 1 285.391 2.861 50 0 CFAAMO CCCOCC[N@H+]1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095505814 185000410 /nfs/dbraw/zinc/00/04/10/185000410.db2.gz OFTBLUIAIZQYMT-UHFFFAOYSA-N 1 1 285.391 2.861 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(F)c(F)c1 ZINC000095508414 185000443 /nfs/dbraw/zinc/00/04/43/185000443.db2.gz AUAJURVHPRPSGW-LLVKDONJSA-N 1 1 283.322 2.571 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(F)c(F)c1 ZINC000095508415 185000577 /nfs/dbraw/zinc/00/05/77/185000577.db2.gz AUAJURVHPRPSGW-NSHDSACASA-N 1 1 283.322 2.571 50 0 CFAAMO CCOCC(C)(C)NC(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095507969 185001075 /nfs/dbraw/zinc/00/10/75/185001075.db2.gz JHPHKLBHPFECCW-HNNXBMFYSA-N 1 1 292.423 2.529 50 0 CFAAMO CCC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095518663 185002293 /nfs/dbraw/zinc/00/22/93/185002293.db2.gz YURBUZQBYOZMSV-MRXNPFEDSA-N 1 1 286.419 2.877 50 0 CFAAMO Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C(N)=O)cc2)o1 ZINC000222821990 230398514 /nfs/dbraw/zinc/39/85/14/230398514.db2.gz QDZAPWJJQDEEOX-HNNXBMFYSA-N 1 1 284.359 2.705 50 0 CFAAMO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C12CCC2 ZINC000095968523 185047768 /nfs/dbraw/zinc/04/77/68/185047768.db2.gz DOMCDIBRVQOPJM-SJORKVTESA-N 1 1 292.467 2.798 50 0 CFAAMO CC(C)c1[nH+]ccn1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000095974644 185049684 /nfs/dbraw/zinc/04/96/84/185049684.db2.gz VEYQQKRFFFFMNR-CYBMUJFWSA-N 1 1 299.374 2.928 50 0 CFAAMO Cc1ccc(C[N@H+](Cc2ccnc(N(C)C)n2)C(C)C)o1 ZINC000096008772 185064274 /nfs/dbraw/zinc/06/42/74/185064274.db2.gz FYBLFOMGWDGAKJ-UHFFFAOYSA-N 1 1 288.395 2.855 50 0 CFAAMO Cc1ccc(C[N@@H+](Cc2ccnc(N(C)C)n2)C(C)C)o1 ZINC000096008772 185064275 /nfs/dbraw/zinc/06/42/75/185064275.db2.gz FYBLFOMGWDGAKJ-UHFFFAOYSA-N 1 1 288.395 2.855 50 0 CFAAMO CC[C@@H](C(=O)NCc1c(F)cccc1Cl)[N@@H+](C)CC ZINC000823061314 781919405 /nfs/dbraw/zinc/91/94/05/781919405.db2.gz DDFQQMULRIDURG-ZDUSSCGKSA-N 1 1 286.778 2.826 50 0 CFAAMO Clc1ccccc1O[C@@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000125176687 187173489 /nfs/dbraw/zinc/17/34/89/187173489.db2.gz SAKKTNHKPSOQMK-GFCCVEGCSA-N 1 1 297.782 2.556 50 0 CFAAMO COc1cccc(-c2cn[nH]c2[C@@H]2CCC[NH2+]C2)c1 ZINC000096951877 185139936 /nfs/dbraw/zinc/13/99/36/185139936.db2.gz XZWLUFYTSDZIQZ-GFCCVEGCSA-N 1 1 257.337 2.552 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490608 529697343 /nfs/dbraw/zinc/69/73/43/529697343.db2.gz URWBSVFZEIGXOS-KBPBESRZSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490608 529697345 /nfs/dbraw/zinc/69/73/45/529697345.db2.gz URWBSVFZEIGXOS-KBPBESRZSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490608 529697348 /nfs/dbraw/zinc/69/73/48/529697348.db2.gz URWBSVFZEIGXOS-KBPBESRZSA-N 1 1 287.407 2.822 50 0 CFAAMO CCc1nc(N[C@H](C)Cc2c(C)nn(C)c2C)cc(C)[nH+]1 ZINC000225821203 529730358 /nfs/dbraw/zinc/73/03/58/529730358.db2.gz CPUTZIBFIYWTPE-SNVBAGLBSA-N 1 1 287.411 2.741 50 0 CFAAMO C[N@@H+]1CC[C@@H](Nc2ncccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486707 529796157 /nfs/dbraw/zinc/79/61/57/529796157.db2.gz TZWOLQHQEQDWJJ-KGLIPLIRSA-N 1 1 290.317 2.612 50 0 CFAAMO C[N@H+]1CC[C@@H](Nc2ncccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486707 529796158 /nfs/dbraw/zinc/79/61/58/529796158.db2.gz TZWOLQHQEQDWJJ-KGLIPLIRSA-N 1 1 290.317 2.612 50 0 CFAAMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCSCC1 ZINC000097742627 529982052 /nfs/dbraw/zinc/98/20/52/529982052.db2.gz SEKVOONOAUMHEX-UHFFFAOYSA-N 1 1 277.393 2.997 50 0 CFAAMO Cc1ccc(C(=O)OCC[NH+]2CCSCC2)cc1Cl ZINC000075109510 347056100 /nfs/dbraw/zinc/05/61/00/347056100.db2.gz RNGOSRBPDXEAMQ-UHFFFAOYSA-N 1 1 299.823 2.854 50 0 CFAAMO CC(C)c1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000019770675 346242079 /nfs/dbraw/zinc/24/20/79/346242079.db2.gz RQUSCXGWCWOTPR-UHFFFAOYSA-N 1 1 263.381 2.911 50 0 CFAAMO CC[NH+]1CCN([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000019637652 346242463 /nfs/dbraw/zinc/24/24/63/346242463.db2.gz JFYUXPZOHQKXGW-OAHLLOKOSA-N 1 1 276.424 2.654 50 0 CFAAMO Cc1ccccc1O[C@H](C)CC[C@H](C)[N@@H+](C)CCO ZINC000022064895 346247581 /nfs/dbraw/zinc/24/75/81/346247581.db2.gz CCWAVEMRPJAESV-LSDHHAIUSA-N 1 1 265.397 2.855 50 0 CFAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071443 347117820 /nfs/dbraw/zinc/11/78/20/347117820.db2.gz MNXXRKRFBYKUSJ-CHWSQXEVSA-N 1 1 286.485 2.897 50 0 CFAAMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2nccn2C)cc1 ZINC000086279432 179263060 /nfs/dbraw/zinc/26/30/60/179263060.db2.gz YDPQVJPFZFQMFT-CYBMUJFWSA-N 1 1 295.390 2.765 50 0 CFAAMO COc1ccc(OCC[N@@H+](C)C2CCSCC2)cc1 ZINC000092873147 347649012 /nfs/dbraw/zinc/64/90/12/347649012.db2.gz QFGDISOZSLUCAX-UHFFFAOYSA-N 1 1 281.421 2.901 50 0 CFAAMO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)cc2F)CC[N@@H+]1C ZINC000095457654 347698249 /nfs/dbraw/zinc/69/82/49/347698249.db2.gz KDWYFUNTXYPQJE-ZJUUUORDSA-N 1 1 283.322 2.521 50 0 CFAAMO CC(C)Cn1nccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000097231966 347707836 /nfs/dbraw/zinc/70/78/36/347707836.db2.gz QRFMJNXCCSCJFW-CHWSQXEVSA-N 1 1 262.401 2.576 50 0 CFAAMO CC(C)N1CCC([NH2+][C@@H](C)C[C@H](O)c2ccco2)CC1 ZINC000097238263 347708511 /nfs/dbraw/zinc/70/85/11/347708511.db2.gz WJNLRSDGVACJSB-ZFWWWQNUSA-N 1 1 280.412 2.554 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)C[N@H+](C)C[C@@H]1CC ZINC000102190438 347716701 /nfs/dbraw/zinc/71/67/01/347716701.db2.gz VFVRCUAINDTTOF-BBRMVZONSA-N 1 1 261.365 2.807 50 0 CFAAMO Fc1ccc(Cl)c(C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000225461932 348177409 /nfs/dbraw/zinc/17/74/09/348177409.db2.gz AXUVTHAVBXNNJP-UHFFFAOYSA-N 1 1 294.761 2.977 50 0 CFAAMO C[Si](C)(C)C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000195566698 348146810 /nfs/dbraw/zinc/14/68/10/348146810.db2.gz ZPAAPNWFTLSUQE-LBPRGKRZSA-N 1 1 297.496 2.899 50 0 CFAAMO C[Si](C)(C)C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000195566698 348146812 /nfs/dbraw/zinc/14/68/12/348146812.db2.gz ZPAAPNWFTLSUQE-LBPRGKRZSA-N 1 1 297.496 2.899 50 0 CFAAMO C[C@H](c1ccncc1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229647509 348202877 /nfs/dbraw/zinc/20/28/77/348202877.db2.gz QHJVVSCIOFLWDT-TZMCWYRMSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229647509 348202881 /nfs/dbraw/zinc/20/28/81/348202881.db2.gz QHJVVSCIOFLWDT-TZMCWYRMSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1ccncc1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229647509 348202884 /nfs/dbraw/zinc/20/28/84/348202884.db2.gz QHJVVSCIOFLWDT-TZMCWYRMSA-N 1 1 256.353 2.745 50 0 CFAAMO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC=C(Cl)C2)c1 ZINC000404392923 348591061 /nfs/dbraw/zinc/59/10/61/348591061.db2.gz JMXMBSVAJPGFQU-UHFFFAOYSA-N 1 1 297.761 2.565 50 0 CFAAMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC=C(Cl)C2)c1 ZINC000404392923 348591068 /nfs/dbraw/zinc/59/10/68/348591068.db2.gz JMXMBSVAJPGFQU-UHFFFAOYSA-N 1 1 297.761 2.565 50 0 CFAAMO C[C@@H](CCn1cccn1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000584890790 348729376 /nfs/dbraw/zinc/72/93/76/348729376.db2.gz ACXJLPPLGNWKOU-HNNXBMFYSA-N 1 1 277.412 2.554 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000089643067 179837284 /nfs/dbraw/zinc/83/72/84/179837284.db2.gz MOINEFTZFLKOLB-BZUAXINKSA-N 1 1 280.456 2.797 50 0 CFAAMO Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)n1 ZINC000091320280 180134061 /nfs/dbraw/zinc/13/40/61/180134061.db2.gz GBHNPGQUSVQIKL-SFHVURJKSA-N 1 1 296.414 2.947 50 0 CFAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000091474573 180165746 /nfs/dbraw/zinc/16/57/46/180165746.db2.gz YWHWUPSISKQPBQ-KRWDZBQOSA-N 1 1 295.398 2.745 50 0 CFAAMO CC(C)(CNc1ncccn1)[N@H+]1CCc2ccccc2C1 ZINC000091475540 180166324 /nfs/dbraw/zinc/16/63/24/180166324.db2.gz SYDFOLUMVJLHLA-UHFFFAOYSA-N 1 1 282.391 2.725 50 0 CFAAMO Cc1c(F)cccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000091486974 180167782 /nfs/dbraw/zinc/16/77/82/180167782.db2.gz PUGWTLWOMKPPEA-DZGCQCFKSA-N 1 1 262.372 2.660 50 0 CFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(C)o1)C2 ZINC000091382232 180143828 /nfs/dbraw/zinc/14/38/28/180143828.db2.gz SBRJUWLYOYBJNA-LSDHHAIUSA-N 1 1 262.397 2.894 50 0 CFAAMO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(C)o1)C2 ZINC000091382232 180143831 /nfs/dbraw/zinc/14/38/31/180143831.db2.gz SBRJUWLYOYBJNA-LSDHHAIUSA-N 1 1 262.397 2.894 50 0 CFAAMO CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C)o1)C2 ZINC000091382232 180143834 /nfs/dbraw/zinc/14/38/34/180143834.db2.gz SBRJUWLYOYBJNA-LSDHHAIUSA-N 1 1 262.397 2.894 50 0 CFAAMO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C2)[nH]c2c1c(C)ccc2C ZINC000091620056 180208544 /nfs/dbraw/zinc/20/85/44/180208544.db2.gz JFHWOJPIDCGPBV-CQSZACIVSA-N 1 1 299.418 2.869 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3n2C)CC[C@]1(C)O ZINC000091550857 180188905 /nfs/dbraw/zinc/18/89/05/180188905.db2.gz ZVELYFGGEKQYIX-PXAZEXFGSA-N 1 1 290.382 2.910 50 0 CFAAMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC[C@]1(C)O ZINC000091951990 180291835 /nfs/dbraw/zinc/29/18/35/180291835.db2.gz NTTHCNGMLZAIPS-DNKIIHMASA-N 1 1 263.356 2.932 50 0 CFAAMO C[N@H+](CC(=O)Nc1ccccc1)Cc1cccc2c[nH]nc21 ZINC000091901872 180283141 /nfs/dbraw/zinc/28/31/41/180283141.db2.gz ADNUOZWQDQCVOS-UHFFFAOYSA-N 1 1 294.358 2.633 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cccc2c[nH]nc21 ZINC000091901872 180283144 /nfs/dbraw/zinc/28/31/44/180283144.db2.gz ADNUOZWQDQCVOS-UHFFFAOYSA-N 1 1 294.358 2.633 50 0 CFAAMO Cc1nc(C[NH+]2CCC(c3nccn3C)CC2)cs1 ZINC000091906851 180284386 /nfs/dbraw/zinc/28/43/86/180284386.db2.gz SCQZQAXJOJXDMR-UHFFFAOYSA-N 1 1 276.409 2.565 50 0 CFAAMO Cc1nc(CN2CCC(c3[nH+]ccn3C)CC2)cs1 ZINC000091906851 180284387 /nfs/dbraw/zinc/28/43/87/180284387.db2.gz SCQZQAXJOJXDMR-UHFFFAOYSA-N 1 1 276.409 2.565 50 0 CFAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cncn2CC(C)C)C1 ZINC000092028707 180309519 /nfs/dbraw/zinc/30/95/19/180309519.db2.gz VSZJFYORHKCJFB-QGZVFWFLSA-N 1 1 293.455 2.914 50 0 CFAAMO Cc1ccc2[nH]c(C[NH2+]CCCN3CCCC3)cc(=O)c2c1 ZINC000092045650 180310883 /nfs/dbraw/zinc/31/08/83/180310883.db2.gz NBWGMPNZRQQDMN-UHFFFAOYSA-N 1 1 299.418 2.824 50 0 CFAAMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000106026552 186098461 /nfs/dbraw/zinc/09/84/61/186098461.db2.gz FSQPZQITBAXHQI-QWHCGFSZSA-N 1 1 276.380 2.754 50 0 CFAAMO C[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c1ccco1)C(C)(C)C ZINC000106586048 186128650 /nfs/dbraw/zinc/12/86/50/186128650.db2.gz RVQXOCUAEIUFDP-NWDGAFQWSA-N 1 1 266.385 2.823 50 0 CFAAMO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000107145210 186160271 /nfs/dbraw/zinc/16/02/71/186160271.db2.gz WMCDHBDLVPTUKR-WDEREUQCSA-N 1 1 269.414 2.909 50 0 CFAAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000107145210 186160273 /nfs/dbraw/zinc/16/02/73/186160273.db2.gz WMCDHBDLVPTUKR-WDEREUQCSA-N 1 1 269.414 2.909 50 0 CFAAMO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000080339467 539843226 /nfs/dbraw/zinc/84/32/26/539843226.db2.gz QIHVMXSKTGZHIE-MEBBXXQBSA-N 1 1 259.328 2.962 50 0 CFAAMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@H]([C@H](O)c2ccccc2)C1 ZINC000004683931 283165583 /nfs/dbraw/zinc/16/55/83/283165583.db2.gz BGKCTMYJKSVGSD-OTWHNJEPSA-N 1 1 297.398 2.560 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCc1ccc(S(C)(=O)=O)cc1 ZINC000091644109 540397827 /nfs/dbraw/zinc/39/78/27/540397827.db2.gz PGTGAOAQNDOFNR-AWEZNQCLSA-N 1 1 281.421 2.507 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)C1CSCCSC1 ZINC000823672282 781935823 /nfs/dbraw/zinc/93/58/23/781935823.db2.gz WVFIIBSRJBJRJQ-UHFFFAOYSA-N 1 1 299.509 2.740 50 0 CFAAMO C[N@H+](Cc1nc2c(cccc2F)[nH]1)[C@H]1CCSC1 ZINC000089937615 540720420 /nfs/dbraw/zinc/72/04/20/540720420.db2.gz XFUCDKDDAPFTFY-VIFPVBQESA-N 1 1 265.357 2.639 50 0 CFAAMO C[N@@H+](Cc1nc2c(cccc2F)[nH]1)[C@H]1CCSC1 ZINC000089937615 540720423 /nfs/dbraw/zinc/72/04/23/540720423.db2.gz XFUCDKDDAPFTFY-VIFPVBQESA-N 1 1 265.357 2.639 50 0 CFAAMO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000093590796 540723338 /nfs/dbraw/zinc/72/33/38/540723338.db2.gz ZRUIAJUSVBZHRI-GASCZTMLSA-N 1 1 280.375 2.870 50 0 CFAAMO Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000098013130 540883598 /nfs/dbraw/zinc/88/35/98/540883598.db2.gz RTRGTKAPYXMOEE-USXIJHARSA-N 1 1 299.418 2.943 50 0 CFAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)c1 ZINC000179885618 189226034 /nfs/dbraw/zinc/22/60/34/189226034.db2.gz JGBVKPKYONOOJX-HNNXBMFYSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000179885618 189226035 /nfs/dbraw/zinc/22/60/35/189226035.db2.gz JGBVKPKYONOOJX-HNNXBMFYSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)c1 ZINC000179885618 189226036 /nfs/dbraw/zinc/22/60/36/189226036.db2.gz JGBVKPKYONOOJX-HNNXBMFYSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)c1 ZINC000179885618 189226037 /nfs/dbraw/zinc/22/60/37/189226037.db2.gz JGBVKPKYONOOJX-HNNXBMFYSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1cc(Cl)c(C[N@H+](C)CC2(C)COC2)c(OC)c1 ZINC000670437121 540993799 /nfs/dbraw/zinc/99/37/99/540993799.db2.gz FOWLHAKMADYSMR-UHFFFAOYSA-N 1 1 299.798 2.826 50 0 CFAAMO COc1cc(Cl)c(C[N@@H+](C)CC2(C)COC2)c(OC)c1 ZINC000670437121 540993801 /nfs/dbraw/zinc/99/38/01/540993801.db2.gz FOWLHAKMADYSMR-UHFFFAOYSA-N 1 1 299.798 2.826 50 0 CFAAMO CCc1[nH+]ccn1C[C@@H](C)N1CC(Oc2ccc(C)cc2)C1 ZINC000670438598 540995426 /nfs/dbraw/zinc/99/54/26/540995426.db2.gz ZZJGSWQSCNUFIQ-OAHLLOKOSA-N 1 1 299.418 2.906 50 0 CFAAMO CC(=O)NC(C)(C)C[C@@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000670444043 540996777 /nfs/dbraw/zinc/99/67/77/540996777.db2.gz XZMCBZWNJRRCOU-CYBMUJFWSA-N 1 1 266.429 2.946 50 0 CFAAMO CC(C)=CCC/C(C)=C/C[N@@H+]1CCCNC(=O)C1 ZINC000670448652 540997903 /nfs/dbraw/zinc/99/79/03/540997903.db2.gz YXUFQCZFBMQLPZ-RIYZIHGNSA-N 1 1 250.386 2.501 50 0 CFAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCCNC(=O)C1 ZINC000670448652 540997905 /nfs/dbraw/zinc/99/79/05/540997905.db2.gz YXUFQCZFBMQLPZ-RIYZIHGNSA-N 1 1 250.386 2.501 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(C)n1 ZINC000670451170 540999474 /nfs/dbraw/zinc/99/94/74/540999474.db2.gz FHLQMBYXOLRIMT-ZSHCYNCHSA-N 1 1 260.381 2.574 50 0 CFAAMO CC[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccnc(C)c1 ZINC000670450969 540999574 /nfs/dbraw/zinc/99/95/74/540999574.db2.gz AXZYGYWDTNNFCF-MRXNPFEDSA-N 1 1 289.423 2.659 50 0 CFAAMO CC[C@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccnc(C)c1 ZINC000670450969 540999576 /nfs/dbraw/zinc/99/95/76/540999576.db2.gz AXZYGYWDTNNFCF-MRXNPFEDSA-N 1 1 289.423 2.659 50 0 CFAAMO CC/C=C\CCC[N@H+]1CCC[C@H](CCC(=O)NC)C1 ZINC000670455612 541000972 /nfs/dbraw/zinc/00/09/72/541000972.db2.gz QKQUXYIULRTDLL-FOSCPCJNSA-N 1 1 266.429 2.971 50 0 CFAAMO COCCOCC[N@@H+](C)Cc1[nH]c2ccccc2c1C ZINC000670458837 541002216 /nfs/dbraw/zinc/00/22/16/541002216.db2.gz XWKPEWHNIVYDBU-UHFFFAOYSA-N 1 1 276.380 2.571 50 0 CFAAMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000670460971 541003120 /nfs/dbraw/zinc/00/31/20/541003120.db2.gz YEPDCSXGMBNLGJ-AWEZNQCLSA-N 1 1 258.365 2.761 50 0 CFAAMO O=C1CC[C@@H]([N@H+]2CCC3(C2)CCCCCC3)CCN1 ZINC000670462326 541003645 /nfs/dbraw/zinc/00/36/45/541003645.db2.gz IVRJHFKZFVZRAP-CQSZACIVSA-N 1 1 264.413 2.701 50 0 CFAAMO CS(=O)(=O)c1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000670462539 541004697 /nfs/dbraw/zinc/00/46/97/541004697.db2.gz LLFYSNHNOMRARS-UHFFFAOYSA-N 1 1 293.432 2.856 50 0 CFAAMO CS(=O)(=O)c1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000670462539 541004699 /nfs/dbraw/zinc/00/46/99/541004699.db2.gz LLFYSNHNOMRARS-UHFFFAOYSA-N 1 1 293.432 2.856 50 0 CFAAMO CCC1(CC)C[N@@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000670463534 541005173 /nfs/dbraw/zinc/00/51/73/541005173.db2.gz YOPRIMQTNUOFTB-UHFFFAOYSA-N 1 1 273.380 2.954 50 0 CFAAMO COc1ccc(CC[C@H](C)[N@@H+](C)CC2(C)COC2)cc1 ZINC000670467521 541006892 /nfs/dbraw/zinc/00/68/92/541006892.db2.gz JMRRKUAWFIZWEP-AWEZNQCLSA-N 1 1 277.408 2.985 50 0 CFAAMO CCc1nccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000670470868 541009965 /nfs/dbraw/zinc/00/99/65/541009965.db2.gz AAPIELFPRPDZPH-INIZCTEOSA-N 1 1 283.375 2.692 50 0 CFAAMO CC(C)c1cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)no1 ZINC000670473339 541011692 /nfs/dbraw/zinc/01/16/92/541011692.db2.gz NOGKDPSHZJLQML-ZDUSSCGKSA-N 1 1 266.385 2.781 50 0 CFAAMO CC(C)c1cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)no1 ZINC000670473339 541011695 /nfs/dbraw/zinc/01/16/95/541011695.db2.gz NOGKDPSHZJLQML-ZDUSSCGKSA-N 1 1 266.385 2.781 50 0 CFAAMO CCCn1ncc(C[N@@H+](C)C[C@H](O)c2ccccc2)c1C ZINC000215703703 189696642 /nfs/dbraw/zinc/69/66/42/189696642.db2.gz PLLHARMIDSTDHI-KRWDZBQOSA-N 1 1 287.407 2.767 50 0 CFAAMO COc1cc(-c2[nH+]c3cc(C)ccn3c2N)ccc1O ZINC000000077157 371525501 /nfs/dbraw/zinc/52/55/01/371525501.db2.gz LIFGUWSXDSOBHC-UHFFFAOYSA-N 1 1 269.304 2.606 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000000218207 371560620 /nfs/dbraw/zinc/56/06/20/371560620.db2.gz YWHOQYBECZVTOL-JTQLQIEISA-N 1 1 257.736 2.826 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000000218207 371560623 /nfs/dbraw/zinc/56/06/23/371560623.db2.gz YWHOQYBECZVTOL-JTQLQIEISA-N 1 1 257.736 2.826 50 0 CFAAMO CCN1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000000227296 371562443 /nfs/dbraw/zinc/56/24/43/371562443.db2.gz REGCFOMHORGNPE-UHFFFAOYSA-N 1 1 266.816 2.956 50 0 CFAAMO Cc1cc(Cl)ccc1NC(=S)N1CC[NH+](C)CC1 ZINC000000306639 371584583 /nfs/dbraw/zinc/58/45/83/371584583.db2.gz ABLITWKTCNPEFI-UHFFFAOYSA-N 1 1 283.828 2.593 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)c2ccccc2Cl)C1 ZINC000000316625 371586075 /nfs/dbraw/zinc/58/60/75/371586075.db2.gz QHKYGRMPOPQKTQ-SNVBAGLBSA-N 1 1 253.729 2.591 50 0 CFAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccco1 ZINC000000808168 371651023 /nfs/dbraw/zinc/65/10/23/371651023.db2.gz ISBCEVPZIPFBSV-CYBMUJFWSA-N 1 1 273.332 2.957 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000002497505 371729688 /nfs/dbraw/zinc/72/96/88/371729688.db2.gz OBVOCZTXJINSPD-GXTWGEPZSA-N 1 1 283.799 2.812 50 0 CFAAMO CCOC(=O)CCC(=O)c1cccc(C[NH+]2CC=CC2)c1 ZINC000002515428 371731803 /nfs/dbraw/zinc/73/18/03/371731803.db2.gz CZCVCUVJAOFYRU-UHFFFAOYSA-N 1 1 287.359 2.584 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C)c1 ZINC000003293198 371789304 /nfs/dbraw/zinc/78/93/04/371789304.db2.gz XPYXYWOAXWTHEN-AWEZNQCLSA-N 1 1 277.437 2.766 50 0 CFAAMO CCC[C@]1(c2cccc(OC(C)=O)c2)CC[N@@H+](C)C1 ZINC000003640268 371814376 /nfs/dbraw/zinc/81/43/76/371814376.db2.gz JSVPVVXSCRJFAT-INIZCTEOSA-N 1 1 261.365 2.985 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000011873288 371934222 /nfs/dbraw/zinc/93/42/22/371934222.db2.gz XOGJDGLHUZSSOF-LLVKDONJSA-N 1 1 258.325 2.506 50 0 CFAAMO O=C(C1CCC1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000011933090 371939311 /nfs/dbraw/zinc/93/93/11/371939311.db2.gz PNYXRRZXRMIPBH-KRWDZBQOSA-N 1 1 276.424 2.511 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2)C1 ZINC000010542827 371912247 /nfs/dbraw/zinc/91/22/47/371912247.db2.gz WNSFLYVCUYPJMP-GASCZTMLSA-N 1 1 274.408 2.784 50 0 CFAAMO CC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000011351225 371919666 /nfs/dbraw/zinc/91/96/66/371919666.db2.gz PHXGOAOTKLPYMC-UHFFFAOYSA-N 1 1 298.386 2.573 50 0 CFAAMO CC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000011351225 371919671 /nfs/dbraw/zinc/91/96/71/371919671.db2.gz PHXGOAOTKLPYMC-UHFFFAOYSA-N 1 1 298.386 2.573 50 0 CFAAMO CN(C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000012381812 371957197 /nfs/dbraw/zinc/95/71/97/371957197.db2.gz XMFGCDSMXOCPDW-INIZCTEOSA-N 1 1 260.425 2.721 50 0 CFAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000012933317 372001270 /nfs/dbraw/zinc/00/12/70/372001270.db2.gz KFLBGYHOIFAHNG-UHFFFAOYSA-N 1 1 293.370 2.635 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COC1CCCC1 ZINC000012419907 371962978 /nfs/dbraw/zinc/96/29/78/371962978.db2.gz NEIQOMXRXOKOES-HZSPNIEDSA-N 1 1 255.402 2.569 50 0 CFAAMO COc1ccc(C(=O)O[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013756377 372048186 /nfs/dbraw/zinc/04/81/86/372048186.db2.gz DXLIAGZRNHJCQN-YWPYICTPSA-N 1 1 277.364 2.581 50 0 CFAAMO C[N@@H+](CC(=O)N1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000012986647 372008224 /nfs/dbraw/zinc/00/82/24/372008224.db2.gz WKVOHIGTOSLXBR-MRXNPFEDSA-N 1 1 272.392 2.618 50 0 CFAAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccccc1 ZINC000016352036 372105592 /nfs/dbraw/zinc/10/55/92/372105592.db2.gz ORKGYARBWMBFNX-HNNXBMFYSA-N 1 1 285.343 2.581 50 0 CFAAMO O=C(C1CCCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016605062 372113571 /nfs/dbraw/zinc/11/35/71/372113571.db2.gz OPHCGQIKZWSRJI-UHFFFAOYSA-N 1 1 286.419 2.564 50 0 CFAAMO CCC[N@@H+](CCO)Cc1coc2ccc(Cl)cc2c1=O ZINC000016662717 372116775 /nfs/dbraw/zinc/11/67/75/372116775.db2.gz CFPLDJVWJLTPSM-UHFFFAOYSA-N 1 1 295.766 2.651 50 0 CFAAMO C[N@H+]1CCCN(Cc2ccccc2Br)CC1 ZINC000019537614 372174598 /nfs/dbraw/zinc/17/45/98/372174598.db2.gz AUBPAHGOPMKHON-UHFFFAOYSA-N 1 1 283.213 2.587 50 0 CFAAMO c1coc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019536897 372174761 /nfs/dbraw/zinc/17/47/61/372174761.db2.gz RLTZCWBBHBVFFB-UHFFFAOYSA-N 1 1 256.349 2.597 50 0 CFAAMO C[C@H]1C[NH+](C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019636610 372179118 /nfs/dbraw/zinc/17/91/18/372179118.db2.gz FWYRCAYEZAECOT-HOTGVXAUSA-N 1 1 288.435 2.760 50 0 CFAAMO CCOCC[N@H+]1CC[C@@H](OC(=O)c2ccccc2)[C@@H](C)C1 ZINC000017246551 372131515 /nfs/dbraw/zinc/13/15/15/372131515.db2.gz WMAVWZGHPBTWHI-GOEBONIOSA-N 1 1 291.391 2.590 50 0 CFAAMO C[N@@H+](CCOC(=O)COc1ccccc1)Cc1ccccc1 ZINC000020058142 372225457 /nfs/dbraw/zinc/22/54/57/372225457.db2.gz VJYVWTYPAGIYQA-UHFFFAOYSA-N 1 1 299.370 2.741 50 0 CFAAMO CN(C)C(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000020100599 372232259 /nfs/dbraw/zinc/23/22/59/372232259.db2.gz KFXVAQQEMREINK-UHFFFAOYSA-N 1 1 298.789 2.779 50 0 CFAAMO Cc1ccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc1 ZINC000019789392 372187813 /nfs/dbraw/zinc/18/78/13/372187813.db2.gz QZUZILAQYPEBEU-SFHVURJKSA-N 1 1 290.451 2.520 50 0 CFAAMO c1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000019881256 372201846 /nfs/dbraw/zinc/20/18/46/372201846.db2.gz QYPYISONPBFBFD-UHFFFAOYSA-N 1 1 296.414 2.883 50 0 CFAAMO Fc1cccc(Cl)c1CN[C@H]1C[NH+]2CCC1CC2 ZINC000019871708 372202344 /nfs/dbraw/zinc/20/23/44/372202344.db2.gz FHOOZZXBUVNTSV-AWEZNQCLSA-N 1 1 268.763 2.663 50 0 CFAAMO CN(C)CC[N@H+]1C[C@H]2c3c4ccccc4[nH]c3CC[C@@H]2C1 ZINC000022023369 372243999 /nfs/dbraw/zinc/24/39/99/372243999.db2.gz XRNHNPCQILWJPN-UKRRQHHQSA-N 1 1 283.419 2.691 50 0 CFAAMO CN(C)CC[N@@H+]1C[C@H]2c3c4ccccc4[nH]c3CC[C@@H]2C1 ZINC000022023369 372244006 /nfs/dbraw/zinc/24/40/06/372244006.db2.gz XRNHNPCQILWJPN-UKRRQHHQSA-N 1 1 283.419 2.691 50 0 CFAAMO ClC1=CC[C@@H]2C[N@@H+](CCN3CCCC3)C[C@H]2C1 ZINC000022588963 372246664 /nfs/dbraw/zinc/24/66/64/372246664.db2.gz QLOKZGCVMSPXQI-CHWSQXEVSA-N 1 1 254.805 2.547 50 0 CFAAMO ClC1=CC[C@@H]2CN(CC[NH+]3CCCC3)C[C@H]2C1 ZINC000022588963 372246666 /nfs/dbraw/zinc/24/66/66/372246666.db2.gz QLOKZGCVMSPXQI-CHWSQXEVSA-N 1 1 254.805 2.547 50 0 CFAAMO CCOc1cccc(CNC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000022936404 372248327 /nfs/dbraw/zinc/24/83/27/372248327.db2.gz YAMQVRDTOKUMFQ-HNNXBMFYSA-N 1 1 262.397 2.659 50 0 CFAAMO CCOc1cccc(CNC[C@@H]2CCC[N@H+]2CC)c1 ZINC000022936404 372248338 /nfs/dbraw/zinc/24/83/38/372248338.db2.gz YAMQVRDTOKUMFQ-HNNXBMFYSA-N 1 1 262.397 2.659 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000023115123 372251788 /nfs/dbraw/zinc/25/17/88/372251788.db2.gz KPBJBDRGPFJSLV-NSHDSACASA-N 1 1 273.298 2.910 50 0 CFAAMO COc1cccc(N2CC[NH+](Cc3ccc(C)o3)CC2)c1 ZINC000023281020 372256085 /nfs/dbraw/zinc/25/60/85/372256085.db2.gz FJZYWZHUDATVTR-UHFFFAOYSA-N 1 1 286.375 2.919 50 0 CFAAMO Cc1ccccc1C[N@@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000026161146 372314404 /nfs/dbraw/zinc/31/44/04/372314404.db2.gz KPXKVDCDEYREDA-INIZCTEOSA-N 1 1 268.360 2.653 50 0 CFAAMO Cc1ccccc1C[N@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000026161146 372314409 /nfs/dbraw/zinc/31/44/09/372314409.db2.gz KPXKVDCDEYREDA-INIZCTEOSA-N 1 1 268.360 2.653 50 0 CFAAMO Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000026314885 372316641 /nfs/dbraw/zinc/31/66/41/372316641.db2.gz TWXFOQQZTATYRO-NSHDSACASA-N 1 1 299.403 2.883 50 0 CFAAMO COc1ccc(NC(=O)NCCC[N@@H+](C)C(C)C)cc1 ZINC000031087258 372404274 /nfs/dbraw/zinc/40/42/74/372404274.db2.gz FXDFRNADVFONAM-UHFFFAOYSA-N 1 1 279.384 2.547 50 0 CFAAMO Oc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000031997317 372424794 /nfs/dbraw/zinc/42/47/94/372424794.db2.gz WZAXNAWSEIYMNY-UHFFFAOYSA-N 1 1 269.344 2.891 50 0 CFAAMO C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000032611231 372450564 /nfs/dbraw/zinc/45/05/64/372450564.db2.gz IBIODXRBIPGNBP-DOTOQJQBSA-N 1 1 286.419 2.910 50 0 CFAAMO CC(C)[NH+]1CCC(NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000032740398 372457389 /nfs/dbraw/zinc/45/73/89/372457389.db2.gz IBNXUPVVDGCGTB-UHFFFAOYSA-N 1 1 298.434 2.835 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000032758320 372459907 /nfs/dbraw/zinc/45/99/07/372459907.db2.gz KIYCTFMCQPORQI-AWEZNQCLSA-N 1 1 292.379 2.906 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000032758320 372459914 /nfs/dbraw/zinc/45/99/14/372459914.db2.gz KIYCTFMCQPORQI-AWEZNQCLSA-N 1 1 292.379 2.906 50 0 CFAAMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000034354540 372506213 /nfs/dbraw/zinc/50/62/13/372506213.db2.gz MSIWYWFJAALCQM-GJZGRUSLSA-N 1 1 288.391 2.880 50 0 CFAAMO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000034354540 372506219 /nfs/dbraw/zinc/50/62/19/372506219.db2.gz MSIWYWFJAALCQM-GJZGRUSLSA-N 1 1 288.391 2.880 50 0 CFAAMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)CC ZINC000036095250 372557808 /nfs/dbraw/zinc/55/78/08/372557808.db2.gz ZMHWVCSPNJNJAA-CQSZACIVSA-N 1 1 251.370 2.678 50 0 CFAAMO CC[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000036161346 372565054 /nfs/dbraw/zinc/56/50/54/372565054.db2.gz BIBWXWJMWFFRSQ-SECBINFHSA-N 1 1 291.420 2.561 50 0 CFAAMO CC[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000036161346 372565056 /nfs/dbraw/zinc/56/50/56/372565056.db2.gz BIBWXWJMWFFRSQ-SECBINFHSA-N 1 1 291.420 2.561 50 0 CFAAMO CCOc1cc(CNC[C@@H]2CC[N@H+](CC)C2)ccc1OC ZINC000037644238 372680812 /nfs/dbraw/zinc/68/08/12/372680812.db2.gz LKLLGNPVOCCTPT-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1cc(CNC[C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000037644238 372680817 /nfs/dbraw/zinc/68/08/17/372680817.db2.gz LKLLGNPVOCCTPT-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037776099 372706759 /nfs/dbraw/zinc/70/67/59/372706759.db2.gz VEUQNICEUSRNLY-VIFPVBQESA-N 1 1 265.307 2.717 50 0 CFAAMO C[NH+](C)C(C)(C)CNCc1c[nH]nc1-c1ccccc1 ZINC000041635487 372855017 /nfs/dbraw/zinc/85/50/17/372855017.db2.gz SEQAUNFBGSZEDT-UHFFFAOYSA-N 1 1 272.396 2.507 50 0 CFAAMO c1ccc2sc(N[C@@H]3CC[N@H+](C4CC4)C3)nc2c1 ZINC000044411772 373004008 /nfs/dbraw/zinc/00/40/08/373004008.db2.gz KXAXAJJOFYVLSS-SNVBAGLBSA-N 1 1 259.378 2.945 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCNC(=O)CCc2ccsc2)C1 ZINC000046878470 373064209 /nfs/dbraw/zinc/06/42/09/373064209.db2.gz IGWUJRPJLJDDKZ-ZDUSSCGKSA-N 1 1 280.437 2.529 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)N1CCCCC1 ZINC000048332883 373163403 /nfs/dbraw/zinc/16/34/03/373163403.db2.gz CSXZNJDZXZUKBB-KRWDZBQOSA-N 1 1 286.419 2.706 50 0 CFAAMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCc1cn[nH]c1 ZINC000244900011 189915575 /nfs/dbraw/zinc/91/55/75/189915575.db2.gz ZUJAKBWPILTSCC-CYBMUJFWSA-N 1 1 273.380 2.524 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000049398481 373292635 /nfs/dbraw/zinc/29/26/35/373292635.db2.gz PBTXGGARZDSOQY-UHFFFAOYSA-N 1 1 278.396 2.968 50 0 CFAAMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)Cn1cccn1 ZINC000051876692 373415835 /nfs/dbraw/zinc/41/58/35/373415835.db2.gz ILXBEWDZUNQOCC-YJBOKZPZSA-N 1 1 299.418 2.545 50 0 CFAAMO Cc1cc(NC2CCN(c3ccccn3)CC2)nc(C)[nH+]1 ZINC000052185359 373442583 /nfs/dbraw/zinc/44/25/83/373442583.db2.gz BFVPXKSMDPXABY-UHFFFAOYSA-N 1 1 283.379 2.569 50 0 CFAAMO CC[N@H+](Cc1cccc(F)c1F)C[C@@H]1CCOC1 ZINC000052071031 373435576 /nfs/dbraw/zinc/43/55/76/373435576.db2.gz QNBQFERVBUCXQR-NSHDSACASA-N 1 1 255.308 2.823 50 0 CFAAMO CS[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000054223118 373506851 /nfs/dbraw/zinc/50/68/51/373506851.db2.gz ZPBLWIULTWRPQZ-NFAWXSAZSA-N 1 1 292.448 2.690 50 0 CFAAMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000053753424 373485552 /nfs/dbraw/zinc/48/55/52/373485552.db2.gz RNUKSOPVHKYAPR-NSHDSACASA-N 1 1 297.349 2.818 50 0 CFAAMO CC[N@@H+](Cc1cccs1)Cc1ccc(C(N)=O)cc1 ZINC000057327289 373587545 /nfs/dbraw/zinc/58/75/45/373587545.db2.gz JMPLNJBOWNCFOI-UHFFFAOYSA-N 1 1 274.389 2.869 50 0 CFAAMO CC[C@@H](CO)[N@@H+](Cc1cccc(O)c1)Cc1ccccn1 ZINC000055244075 373546720 /nfs/dbraw/zinc/54/67/20/373546720.db2.gz SXZLGXUGXOJFFI-INIZCTEOSA-N 1 1 286.375 2.560 50 0 CFAAMO CCOc1ccccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000055543289 373556262 /nfs/dbraw/zinc/55/62/62/373556262.db2.gz CNFWITKOFBJCHE-UHFFFAOYSA-N 1 1 297.402 2.803 50 0 CFAAMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000056908331 373574489 /nfs/dbraw/zinc/57/44/89/373574489.db2.gz GKWRJFGLFSVXCR-LBPRGKRZSA-N 1 1 296.798 2.637 50 0 CFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)CC(C)C)c1 ZINC000058201649 373631242 /nfs/dbraw/zinc/63/12/42/373631242.db2.gz VIWNJZWRQMKIES-UHFFFAOYSA-N 1 1 262.397 2.801 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000058275662 373641027 /nfs/dbraw/zinc/64/10/27/373641027.db2.gz NEQUDIWDUYHBBD-HNNXBMFYSA-N 1 1 288.435 2.812 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC000058307054 373644777 /nfs/dbraw/zinc/64/47/77/373644777.db2.gz INDQVHVKMFUTKW-LBPRGKRZSA-N 1 1 296.361 2.815 50 0 CFAAMO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000058357935 373650062 /nfs/dbraw/zinc/65/00/62/373650062.db2.gz WVLSDLBKPADHKT-CQSZACIVSA-N 1 1 290.407 2.545 50 0 CFAAMO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000058357936 373650202 /nfs/dbraw/zinc/65/02/02/373650202.db2.gz WVLSDLBKPADHKT-AWEZNQCLSA-N 1 1 290.407 2.545 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@H]2C)cc1F ZINC000058407639 373654154 /nfs/dbraw/zinc/65/41/54/373654154.db2.gz GOLXCJWDFGNSQU-ZWNOBZJWSA-N 1 1 287.338 2.592 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C)cc1 ZINC000057828837 373614667 /nfs/dbraw/zinc/61/46/67/373614667.db2.gz SROIJSDDJLMTGV-MRXNPFEDSA-N 1 1 274.408 2.876 50 0 CFAAMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc[nH]1 ZINC000062228643 373754815 /nfs/dbraw/zinc/75/48/15/373754815.db2.gz UCVBDSCMNMFVEU-MRXNPFEDSA-N 1 1 297.402 2.799 50 0 CFAAMO Cc1cc(CN(CC[NH+](C)C)Cc2ccccc2C)n[nH]1 ZINC000063870360 373817678 /nfs/dbraw/zinc/81/76/78/373817678.db2.gz FZPVLQHXQFJRTH-UHFFFAOYSA-N 1 1 286.423 2.590 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc(-c2ccc(C)c(C)c2)no1 ZINC000064542874 373826395 /nfs/dbraw/zinc/82/63/95/373826395.db2.gz LVTKQOMYCROZAG-UHFFFAOYSA-N 1 1 268.320 2.907 50 0 CFAAMO Cc1[nH+]ccn1Cc1noc(-c2ccccc2Cl)n1 ZINC000064551241 373828480 /nfs/dbraw/zinc/82/84/80/373828480.db2.gz CDSCCKLYCNYIAK-UHFFFAOYSA-N 1 1 274.711 2.943 50 0 CFAAMO CC(C)[N@@H+](CCC(N)=O)Cc1cc2ccccc2o1 ZINC000065507366 373878958 /nfs/dbraw/zinc/87/89/58/373878958.db2.gz CHRILDSBGNMTQM-UHFFFAOYSA-N 1 1 260.337 2.519 50 0 CFAAMO CC[C@H](c1cccnc1)[N@@H+](C)C1CCN(CC)CC1 ZINC000065497440 373879112 /nfs/dbraw/zinc/87/91/12/373879112.db2.gz PACKGWOANMLRMC-MRXNPFEDSA-N 1 1 261.413 2.949 50 0 CFAAMO CC[C@H](c1cccnc1)N(C)C1CC[NH+](CC)CC1 ZINC000065497440 373879121 /nfs/dbraw/zinc/87/91/21/373879121.db2.gz PACKGWOANMLRMC-MRXNPFEDSA-N 1 1 261.413 2.949 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNc1cc(C)nc(-c2cccnc2)n1 ZINC000065507450 373879932 /nfs/dbraw/zinc/87/99/32/373879932.db2.gz GJJYKZJVWNBSQH-HNNXBMFYSA-N 1 1 297.406 2.743 50 0 CFAAMO CCc1[nH+]ccn1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000065224651 373850245 /nfs/dbraw/zinc/85/02/45/373850245.db2.gz HDEDRJNAYSBKLX-UHFFFAOYSA-N 1 1 284.319 2.552 50 0 CFAAMO CCC[N@@H+](Cc1cccs1)Cc1ccn(C)c(=O)c1 ZINC000065285992 373852411 /nfs/dbraw/zinc/85/24/11/373852411.db2.gz GTVOVFYAAUJWFP-UHFFFAOYSA-N 1 1 276.405 2.859 50 0 CFAAMO CC(=O)NCCC1=CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000065372323 373859041 /nfs/dbraw/zinc/85/90/41/373859041.db2.gz JDZFZTNIKOCKFS-WEVVVXLNSA-N 1 1 284.403 2.858 50 0 CFAAMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065474560 373877239 /nfs/dbraw/zinc/87/72/39/373877239.db2.gz DOTFKDGMWLAAAI-CQSZACIVSA-N 1 1 278.371 2.564 50 0 CFAAMO c1nc2c([nH]1)[C@@H](c1ccc(Oc3ccccc3)nc1)[NH2+]CC2 ZINC000067713435 373994438 /nfs/dbraw/zinc/99/44/38/373994438.db2.gz QENROQOJFFTOBN-MRXNPFEDSA-N 1 1 292.342 2.832 50 0 CFAAMO Cn1ccnc1-c1nccn1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000067713264 373995396 /nfs/dbraw/zinc/99/53/96/373995396.db2.gz QYBMXIYAPIEMJQ-LSDHHAIUSA-N 1 1 299.422 2.548 50 0 CFAAMO Cc1ccccc1SCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000067757961 373999499 /nfs/dbraw/zinc/99/94/99/373999499.db2.gz VQDMTQHJCPQWIN-CQSZACIVSA-N 1 1 292.448 2.545 50 0 CFAAMO CC(C)=CC[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067774973 374001739 /nfs/dbraw/zinc/00/17/39/374001739.db2.gz CEXDKUUVFAAPAY-LSDHHAIUSA-N 1 1 289.375 2.532 50 0 CFAAMO C=Cc1cccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000067868967 374010501 /nfs/dbraw/zinc/01/05/01/374010501.db2.gz VOOYRAQSZUKDAP-QGZVFWFLSA-N 1 1 272.392 2.678 50 0 CFAAMO C/C=C/CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000067878710 374013831 /nfs/dbraw/zinc/01/38/31/374013831.db2.gz JUYCOZOSCDDQCN-HSWBROFVSA-N 1 1 290.382 2.730 50 0 CFAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+](C)CCO ZINC000067674381 373990170 /nfs/dbraw/zinc/99/01/70/373990170.db2.gz BEHTZNFFYHFQNU-UHFFFAOYSA-N 1 1 280.755 2.728 50 0 CFAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+](C)CCO ZINC000067674381 373990176 /nfs/dbraw/zinc/99/01/76/373990176.db2.gz BEHTZNFFYHFQNU-UHFFFAOYSA-N 1 1 280.755 2.728 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCn1ccnc1-c1ccc2nonc2c1 ZINC000067673490 373990451 /nfs/dbraw/zinc/99/04/51/373990451.db2.gz PXOYEIHSQKCXMT-ZDUSSCGKSA-N 1 1 297.362 2.571 50 0 CFAAMO CN1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1=O ZINC000067678309 373991911 /nfs/dbraw/zinc/99/19/11/373991911.db2.gz PTUIDDDQMZLBDC-GOSISDBHSA-N 1 1 297.402 2.612 50 0 CFAAMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000069586765 374076616 /nfs/dbraw/zinc/07/66/16/374076616.db2.gz COADBZBYDBRHRN-AWEZNQCLSA-N 1 1 295.814 2.576 50 0 CFAAMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCCCOC)C1 ZINC000069920566 374109308 /nfs/dbraw/zinc/10/93/08/374109308.db2.gz ISOYCHFYZSCXPK-HZPDHXFCSA-N 1 1 298.471 2.820 50 0 CFAAMO COc1ccccc1CC[N@@H+](C)CCc1ccncc1 ZINC000069922187 374109325 /nfs/dbraw/zinc/10/93/25/374109325.db2.gz PUCAOWIENPWXCV-UHFFFAOYSA-N 1 1 270.376 2.807 50 0 CFAAMO C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069929879 374111680 /nfs/dbraw/zinc/11/16/80/374111680.db2.gz BJSMNHLRNRSLEO-DOTOQJQBSA-N 1 1 284.407 2.764 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)n1 ZINC000070006632 374114219 /nfs/dbraw/zinc/11/42/19/374114219.db2.gz GRVFTHBVSNNCSN-HNNXBMFYSA-N 1 1 288.395 2.769 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)n1 ZINC000070006632 374114224 /nfs/dbraw/zinc/11/42/24/374114224.db2.gz GRVFTHBVSNNCSN-HNNXBMFYSA-N 1 1 288.395 2.769 50 0 CFAAMO CC(C)(C)C[N@H+](CCO)Cc1ncc(C(C)(C)C)o1 ZINC000069971600 374114550 /nfs/dbraw/zinc/11/45/50/374114550.db2.gz HLKKBFXJLALKNT-UHFFFAOYSA-N 1 1 268.401 2.813 50 0 CFAAMO CC(C)(C)C[N@@H+](CCO)Cc1ncc(C(C)(C)C)o1 ZINC000069971600 374114557 /nfs/dbraw/zinc/11/45/57/374114557.db2.gz HLKKBFXJLALKNT-UHFFFAOYSA-N 1 1 268.401 2.813 50 0 CFAAMO COc1ccccc1C[C@H]1CCC[N@H+]1CCn1cccn1 ZINC000069683145 374085819 /nfs/dbraw/zinc/08/58/19/374085819.db2.gz VRIYDXCKHKBNKV-MRXNPFEDSA-N 1 1 285.391 2.599 50 0 CFAAMO CCCCCNC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069701432 374087249 /nfs/dbraw/zinc/08/72/49/374087249.db2.gz BTJXFBMXFSVPAV-MRXNPFEDSA-N 1 1 274.408 2.782 50 0 CFAAMO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701404 374087943 /nfs/dbraw/zinc/08/79/43/374087943.db2.gz HKLWRDKEQSPEPS-ZBFHGGJFSA-N 1 1 274.408 2.781 50 0 CFAAMO NC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000069737333 374091349 /nfs/dbraw/zinc/09/13/49/374091349.db2.gz BSECEPCTEZCCDL-LBPRGKRZSA-N 1 1 286.297 2.718 50 0 CFAAMO C[N@H+]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000069738409 374091420 /nfs/dbraw/zinc/09/14/20/374091420.db2.gz IADSQAKOTPHBKK-INIZCTEOSA-N 1 1 298.386 2.760 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2cc(C)no2)c1 ZINC000069816206 374101914 /nfs/dbraw/zinc/10/19/14/374101914.db2.gz LIHTYJRZDILDFG-CQSZACIVSA-N 1 1 274.368 2.543 50 0 CFAAMO C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCOCO1 ZINC000069847423 374105131 /nfs/dbraw/zinc/10/51/31/374105131.db2.gz AJKISJYRIIHLHJ-SECBINFHSA-N 1 1 261.774 2.596 50 0 CFAAMO Cn1cc(CCC[N@H+]2CC[C@@H](c3ccccc3)C2)cn1 ZINC000069894697 374107938 /nfs/dbraw/zinc/10/79/38/374107938.db2.gz MYQFCJSJLPWVLJ-QGZVFWFLSA-N 1 1 269.392 2.842 50 0 CFAAMO Cc1csc(N2CC[N@H+](C[C@@H]3CCCCO3)C[C@@H]2C)n1 ZINC000069920198 374108833 /nfs/dbraw/zinc/10/88/33/374108833.db2.gz SWXIVJQPSWWEPU-KBPBESRZSA-N 1 1 295.452 2.531 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000069900966 374109085 /nfs/dbraw/zinc/10/90/85/374109085.db2.gz LVGZRGFSMXZHBH-CYBMUJFWSA-N 1 1 289.404 2.659 50 0 CFAAMO CCO[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000071915710 374231998 /nfs/dbraw/zinc/23/19/98/374231998.db2.gz OANBSOKSFGKUKX-HNNXBMFYSA-N 1 1 286.375 2.529 50 0 CFAAMO CC(C)c1nccc(C[N@H+]2CCC[C@H](Cn3ccnc3)C2)n1 ZINC000071768046 374221475 /nfs/dbraw/zinc/22/14/75/374221475.db2.gz YJSFGBBZBDKMSK-HNNXBMFYSA-N 1 1 299.422 2.709 50 0 CFAAMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cccn2)n1 ZINC000071875638 374228125 /nfs/dbraw/zinc/22/81/25/374228125.db2.gz JFKPMDLDAFVMAV-QWHCGFSZSA-N 1 1 289.383 2.615 50 0 CFAAMO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cccn2)n1 ZINC000071875638 374228129 /nfs/dbraw/zinc/22/81/29/374228129.db2.gz JFKPMDLDAFVMAV-QWHCGFSZSA-N 1 1 289.383 2.615 50 0 CFAAMO CC(C)c1cc(N2CCC[N@H+]3CCC[C@H]3C2)n2nccc2n1 ZINC000072457581 374253889 /nfs/dbraw/zinc/25/38/89/374253889.db2.gz UCESZSJYBIIMIH-AWEZNQCLSA-N 1 1 299.422 2.527 50 0 CFAAMO COCCC[N@@H+](Cc1cccs1)C1CCN(C)CC1 ZINC000072453983 374254020 /nfs/dbraw/zinc/25/40/20/374254020.db2.gz CVEXVMJAUPUIMC-UHFFFAOYSA-N 1 1 282.453 2.681 50 0 CFAAMO CN1C[C@]2(CCC[N@@H+](Cc3ccsc3)CC2)OC1=O ZINC000072174139 374234588 /nfs/dbraw/zinc/23/45/88/374234588.db2.gz SUWJWJRKNDSDFD-CQSZACIVSA-N 1 1 280.393 2.555 50 0 CFAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC=C(C)C ZINC000072268708 374237315 /nfs/dbraw/zinc/23/73/15/374237315.db2.gz DZVJMNFDOUSEJV-HUUCEWRRSA-N 1 1 264.413 2.818 50 0 CFAAMO CCc1ccc(C[N@H+](C)CN2C(=O)C[C@@H](C)[C@@H]2C)cc1 ZINC000072312370 374244640 /nfs/dbraw/zinc/24/46/40/374244640.db2.gz OXJLGRMMURWXKF-KGLIPLIRSA-N 1 1 274.408 2.895 50 0 CFAAMO CCc1ccc(C[N@@H+](C)CN2C(=O)C[C@@H](C)[C@@H]2C)cc1 ZINC000072312370 374244642 /nfs/dbraw/zinc/24/46/42/374244642.db2.gz OXJLGRMMURWXKF-KGLIPLIRSA-N 1 1 274.408 2.895 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cccc1 ZINC000334160311 206121655 /nfs/dbraw/zinc/12/16/55/206121655.db2.gz AWRZSCOGKGAYJC-HZPDHXFCSA-N 1 1 291.439 2.676 50 0 CFAAMO FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000076059612 374526799 /nfs/dbraw/zinc/52/67/99/374526799.db2.gz MLBKTSAPALICLV-VIFPVBQESA-N 1 1 299.300 2.531 50 0 CFAAMO FC(F)(F)c1cc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000076059612 374526803 /nfs/dbraw/zinc/52/68/03/374526803.db2.gz MLBKTSAPALICLV-VIFPVBQESA-N 1 1 299.300 2.531 50 0 CFAAMO CC(C)[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCOCC1 ZINC000077323796 374562542 /nfs/dbraw/zinc/56/25/42/374562542.db2.gz GOXLWVDPLJJINO-GDBMZVCRSA-N 1 1 296.455 2.571 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)[nH]n1 ZINC000078901096 374572978 /nfs/dbraw/zinc/57/29/78/374572978.db2.gz PEMWUDUHIGUEDP-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)n[nH]1 ZINC000078901096 374572985 /nfs/dbraw/zinc/57/29/85/374572985.db2.gz PEMWUDUHIGUEDP-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)n[nH]1 ZINC000078901096 374572992 /nfs/dbraw/zinc/57/29/92/374572992.db2.gz PEMWUDUHIGUEDP-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000079091174 374594750 /nfs/dbraw/zinc/59/47/50/374594750.db2.gz YRPUTACQSFFPEC-CQSZACIVSA-N 1 1 278.396 2.565 50 0 CFAAMO Cc1ccccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)C(C)C ZINC000079020151 374583808 /nfs/dbraw/zinc/58/38/08/374583808.db2.gz CMHCTNHRNMRNKQ-MRXNPFEDSA-N 1 1 295.448 2.955 50 0 CFAAMO c1cn(-c2ccc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)cc2)cn1 ZINC000079354368 374606121 /nfs/dbraw/zinc/60/61/21/374606121.db2.gz NZJMBOSCGSHZHF-IRXDYDNUSA-N 1 1 283.375 2.626 50 0 CFAAMO COC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(C)o1 ZINC000081009607 374680873 /nfs/dbraw/zinc/68/08/73/374680873.db2.gz QYGZBQFJTMCKCY-GFCCVEGCSA-N 1 1 261.325 2.794 50 0 CFAAMO C[N@@H+](CCn1cncn1)C1c2ccccc2-c2ccccc21 ZINC000081596978 374707532 /nfs/dbraw/zinc/70/75/32/374707532.db2.gz FLPBLIAHYBOBOF-UHFFFAOYSA-N 1 1 290.370 2.980 50 0 CFAAMO COCCn1nc(C)c(CNc2cc[nH+]cc2Cl)c1C ZINC000084013929 374761112 /nfs/dbraw/zinc/76/11/12/374761112.db2.gz MZCLOCLQUJCGKE-UHFFFAOYSA-N 1 1 294.786 2.807 50 0 CFAAMO C(C1CCCCC1)[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000089818345 374957460 /nfs/dbraw/zinc/95/74/60/374957460.db2.gz RANOJHMBUULISA-UHFFFAOYSA-N 1 1 260.385 2.551 50 0 CFAAMO C(C1CCCCC1)[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000089818345 374957468 /nfs/dbraw/zinc/95/74/68/374957468.db2.gz RANOJHMBUULISA-UHFFFAOYSA-N 1 1 260.385 2.551 50 0 CFAAMO CC(C)c1noc([C@@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)n1 ZINC000089893624 374965165 /nfs/dbraw/zinc/96/51/65/374965165.db2.gz HRNCQFHZFBZDRX-NEPJUHHUSA-N 1 1 289.383 2.618 50 0 CFAAMO CC[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)N1CCCC1 ZINC000089943461 374975084 /nfs/dbraw/zinc/97/50/84/374975084.db2.gz DOBZUVNIYOFSLT-ZDUSSCGKSA-N 1 1 268.351 2.929 50 0 CFAAMO c1csc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952489 374977076 /nfs/dbraw/zinc/97/70/76/374977076.db2.gz DKRIXOQKGBHLAU-VXGBXAGGSA-N 1 1 284.450 2.630 50 0 CFAAMO c1csc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952489 374977081 /nfs/dbraw/zinc/97/70/81/374977081.db2.gz DKRIXOQKGBHLAU-VXGBXAGGSA-N 1 1 284.450 2.630 50 0 CFAAMO NC(=O)CC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000092660454 375137183 /nfs/dbraw/zinc/13/71/83/375137183.db2.gz ZCCXGUJHQOOWDA-KZTTYJGESA-N 1 1 290.382 2.816 50 0 CFAAMO OCCC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000092785398 375152507 /nfs/dbraw/zinc/15/25/07/375152507.db2.gz SGKCEFXJRMAACO-NSHDSACASA-N 1 1 255.308 2.702 50 0 CFAAMO Cc1nc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)[nH]c1C ZINC000571582473 383707431 /nfs/dbraw/zinc/70/74/31/383707431.db2.gz RXBOEUSTQFMURB-WMLDXEAASA-N 1 1 286.423 2.808 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C12CCC2 ZINC000095968526 375464769 /nfs/dbraw/zinc/46/47/69/375464769.db2.gz AWTPMGAGJUTLCY-ARKGTOAJSA-N 1 1 280.456 2.652 50 0 CFAAMO Cc1cc(C)c2c(ncnc2NC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000095357972 375419660 /nfs/dbraw/zinc/41/96/60/375419660.db2.gz SQODOFXJZWSWHG-ZDUSSCGKSA-N 1 1 285.395 2.538 50 0 CFAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3nc[nH]c3C1)=CC2 ZINC000095360867 375419706 /nfs/dbraw/zinc/41/97/06/375419706.db2.gz LIDMHWXJGFMIKW-STQMWFEESA-N 1 1 257.381 2.760 50 0 CFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1nnc(C(C)C)s1)C2 ZINC000095386241 375426540 /nfs/dbraw/zinc/42/65/40/375426540.db2.gz CPCDFXNOCWWKIF-CHWSQXEVSA-N 1 1 294.468 2.972 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1ccoc1 ZINC000095387155 375428267 /nfs/dbraw/zinc/42/82/67/375428267.db2.gz RPBKMBIBAPEONH-LBPRGKRZSA-N 1 1 275.352 2.819 50 0 CFAAMO Cc1cnc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cn1 ZINC000095396591 375430579 /nfs/dbraw/zinc/43/05/79/375430579.db2.gz OKOJATCASBQOHW-UHFFFAOYSA-N 1 1 283.375 2.903 50 0 CFAAMO COc1cccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000095428239 375443131 /nfs/dbraw/zinc/44/31/31/375443131.db2.gz CGMWEOFMOUMJDL-KRWDZBQOSA-N 1 1 284.359 2.744 50 0 CFAAMO CC(C)[N@H+]1CCCN(Cc2c(F)cccc2F)CC1 ZINC000095453826 375455484 /nfs/dbraw/zinc/45/54/84/375455484.db2.gz JZLVTPXNJJQWJE-UHFFFAOYSA-N 1 1 268.351 2.881 50 0 CFAAMO CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000097162411 375534153 /nfs/dbraw/zinc/53/41/53/375534153.db2.gz BAPDLIWNUOYDPM-MRXNPFEDSA-N 1 1 274.408 2.550 50 0 CFAAMO C[C@H]([NH2+][C@]1(CO)CCc2ccccc21)c1nccs1 ZINC000097038404 375498562 /nfs/dbraw/zinc/49/85/62/375498562.db2.gz FVUMBTCGQRCAQX-NHYWBVRUSA-N 1 1 274.389 2.628 50 0 CFAAMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1COC[C@@H]1O ZINC000097076304 375509259 /nfs/dbraw/zinc/50/92/59/375509259.db2.gz RPVPOCKEWIKLAV-STQMWFEESA-N 1 1 290.190 2.575 50 0 CFAAMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CCCSC1 ZINC000097084759 375511807 /nfs/dbraw/zinc/51/18/07/375511807.db2.gz GXOZOOABNSOBDQ-CYBMUJFWSA-N 1 1 293.436 2.534 50 0 CFAAMO CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000097101255 375517945 /nfs/dbraw/zinc/51/79/45/375517945.db2.gz KIYZBSIFXLCOIH-HZPDHXFCSA-N 1 1 279.424 2.860 50 0 CFAAMO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2nccs2)c(C)o1 ZINC000097112023 375523465 /nfs/dbraw/zinc/52/34/65/375523465.db2.gz LGRPZZVKZJQXJH-VIFPVBQESA-N 1 1 279.365 2.642 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000097393971 375558209 /nfs/dbraw/zinc/55/82/09/375558209.db2.gz LLIVKKDOPCRFOM-OAHLLOKOSA-N 1 1 294.826 2.873 50 0 CFAAMO CSc1ccc(C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000097474884 375564469 /nfs/dbraw/zinc/56/44/69/375564469.db2.gz QLJPVAJTFDZAEO-ZDUSSCGKSA-N 1 1 251.395 2.755 50 0 CFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000097522163 375568541 /nfs/dbraw/zinc/56/85/41/375568541.db2.gz DNYYHRAJWWCATQ-LBPRGKRZSA-N 1 1 297.362 2.523 50 0 CFAAMO C[N@H+]1CCCC[C@H]1C(=O)NCCCc1ccc(Cl)cc1 ZINC000097579020 375570203 /nfs/dbraw/zinc/57/02/03/375570203.db2.gz GMUBBWICKDROBV-HNNXBMFYSA-N 1 1 294.826 2.873 50 0 CFAAMO C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000101138712 375634011 /nfs/dbraw/zinc/63/40/11/375634011.db2.gz PIPWJUQTLLYDKF-RLXIPRIJSA-N 1 1 282.391 2.704 50 0 CFAAMO CCn1cnnc1C[NH2+]Cc1ccc(Cl)cc1C ZINC000128967475 377365744 /nfs/dbraw/zinc/36/57/44/377365744.db2.gz FKYHXBVMECDBQV-UHFFFAOYSA-N 1 1 264.760 2.550 50 0 CFAAMO C[N@@H+](CN1C(=O)SC(C)(C)C1=O)C(C1CC1)C1CC1 ZINC000132517577 377849701 /nfs/dbraw/zinc/84/97/01/377849701.db2.gz QRYMVLDPZHEAFA-UHFFFAOYSA-N 1 1 282.409 2.538 50 0 CFAAMO C[C@@H](CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499337 194013198 /nfs/dbraw/zinc/01/31/98/194013198.db2.gz NGHNZZFELNBHNY-HOCLYGCPSA-N 1 1 295.448 2.689 50 0 CFAAMO [NH3+]CC1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000162308606 378906112 /nfs/dbraw/zinc/90/61/12/378906112.db2.gz AWMUVRHGLGVLSK-UHFFFAOYSA-N 1 1 256.752 2.650 50 0 CFAAMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCCC(C)(C)CC1 ZINC000170639833 379131927 /nfs/dbraw/zinc/13/19/27/379131927.db2.gz XRBGRPYEYKHOOS-CYBMUJFWSA-N 1 1 266.429 2.946 50 0 CFAAMO CCc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)sc1C ZINC000335369608 379175479 /nfs/dbraw/zinc/17/54/79/379175479.db2.gz DANSFLODBXBXOK-CMPLNLGQSA-N 1 1 252.383 2.550 50 0 CFAAMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)[nH]1 ZINC000334636926 379677083 /nfs/dbraw/zinc/67/70/83/379677083.db2.gz HPQKBPGMVBBRLK-VIFPVBQESA-N 1 1 282.800 2.818 50 0 CFAAMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000334636926 379677094 /nfs/dbraw/zinc/67/70/94/379677094.db2.gz HPQKBPGMVBBRLK-VIFPVBQESA-N 1 1 282.800 2.818 50 0 CFAAMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000334636926 379677105 /nfs/dbraw/zinc/67/71/05/379677105.db2.gz HPQKBPGMVBBRLK-VIFPVBQESA-N 1 1 282.800 2.818 50 0 CFAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccoc1 ZINC000174938156 379965137 /nfs/dbraw/zinc/96/51/37/379965137.db2.gz RKTHXIPULPBSQI-MRXNPFEDSA-N 1 1 298.386 2.874 50 0 CFAAMO Cc1cccc(CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000645778891 383743726 /nfs/dbraw/zinc/74/37/26/383743726.db2.gz KRVBWTQAUDLZGN-CQSZACIVSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1cccc(CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)n1 ZINC000645778891 383743732 /nfs/dbraw/zinc/74/37/32/383743732.db2.gz KRVBWTQAUDLZGN-CQSZACIVSA-N 1 1 270.380 2.535 50 0 CFAAMO Clc1c[nH+]ccc1N1CCN(Cc2ccco2)CC1 ZINC000176753314 380270817 /nfs/dbraw/zinc/27/08/17/380270817.db2.gz WVQWAIHXBPLMAG-UHFFFAOYSA-N 1 1 277.755 2.650 50 0 CFAAMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1c1ccccc1 ZINC000411992211 381086302 /nfs/dbraw/zinc/08/63/02/381086302.db2.gz ZXLHYKRVOPWZRC-JKSUJKDBSA-N 1 1 298.361 2.527 50 0 CFAAMO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000049396735 412940908 /nfs/dbraw/zinc/94/09/08/412940908.db2.gz QPQDHXBVDPANHI-CQSZACIVSA-N 1 1 275.396 2.847 50 0 CFAAMO C[C@H](N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cnccn1 ZINC000186321638 381881275 /nfs/dbraw/zinc/88/12/75/381881275.db2.gz RMXAWDIIWJKAFG-ZQIUZPCESA-N 1 1 284.407 2.819 50 0 CFAAMO CN(CC[N@@H+](C)C1CCCC1)C[C@@H](O)c1ccccc1 ZINC000299786579 382047549 /nfs/dbraw/zinc/04/75/49/382047549.db2.gz VQTCQHDQYSMQJL-QGZVFWFLSA-N 1 1 276.424 2.526 50 0 CFAAMO CCN(Cc1ccncc1)Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791956 382049029 /nfs/dbraw/zinc/04/90/29/382049029.db2.gz DHXQVEKZFBCZBG-UHFFFAOYSA-N 1 1 297.402 2.586 50 0 CFAAMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2c[nH]nc2C)c1 ZINC000037893449 184543990 /nfs/dbraw/zinc/54/39/90/184543990.db2.gz PLEHHMUSXJQZAY-NSHDSACASA-N 1 1 275.352 2.586 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1F ZINC000071772303 184576026 /nfs/dbraw/zinc/57/60/26/184576026.db2.gz CVKDNKBOYVSFRO-CYBMUJFWSA-N 1 1 290.382 2.963 50 0 CFAAMO FC(F)COCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000189533350 382620778 /nfs/dbraw/zinc/62/07/78/382620778.db2.gz DFNTVXLDZGQFEA-GHMZBOCLSA-N 1 1 265.369 2.628 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+]2CCO[C@H](CCO)C2)s1 ZINC000215282633 382778153 /nfs/dbraw/zinc/77/81/53/382778153.db2.gz QKGCJNFHCDHAHB-CYBMUJFWSA-N 1 1 283.437 2.530 50 0 CFAAMO CC(C)Cc1ccc(C[N@H+]2CCO[C@H](CCO)C2)s1 ZINC000215282633 382778155 /nfs/dbraw/zinc/77/81/55/382778155.db2.gz QKGCJNFHCDHAHB-CYBMUJFWSA-N 1 1 283.437 2.530 50 0 CFAAMO CC[N@H+](CCn1cccn1)Cc1nc2c(s1)CCCC2 ZINC000215406961 382778435 /nfs/dbraw/zinc/77/84/35/382778435.db2.gz LJKPHTFRBSJTKU-UHFFFAOYSA-N 1 1 290.436 2.741 50 0 CFAAMO CC[N@@H+](CCn1cccn1)Cc1nc2c(s1)CCCC2 ZINC000215406961 382778436 /nfs/dbraw/zinc/77/84/36/382778436.db2.gz LJKPHTFRBSJTKU-UHFFFAOYSA-N 1 1 290.436 2.741 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@@H+]1CCCCC[C@@H]1CO ZINC000215498650 382779129 /nfs/dbraw/zinc/77/91/29/382779129.db2.gz PIAWZCFGEQFUCM-LLVKDONJSA-N 1 1 285.334 2.710 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@H+]1CCCCC[C@@H]1CO ZINC000215498650 382779132 /nfs/dbraw/zinc/77/91/32/382779132.db2.gz PIAWZCFGEQFUCM-LLVKDONJSA-N 1 1 285.334 2.710 50 0 CFAAMO Fc1ccc(-n2cccn2)c(C[NH+]2CCSCC2)c1 ZINC000215471833 382779198 /nfs/dbraw/zinc/77/91/98/382779198.db2.gz GCINYOXDWVDDRD-UHFFFAOYSA-N 1 1 277.368 2.560 50 0 CFAAMO CC(C)c1nc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)co1 ZINC000215502977 382779287 /nfs/dbraw/zinc/77/92/87/382779287.db2.gz PAFXKMALTSBQES-ZDUSSCGKSA-N 1 1 288.395 2.911 50 0 CFAAMO CC(C)c1nc(C[N@H+]2CCC[C@H](c3nccn3C)C2)co1 ZINC000215502977 382779288 /nfs/dbraw/zinc/77/92/88/382779288.db2.gz PAFXKMALTSBQES-ZDUSSCGKSA-N 1 1 288.395 2.911 50 0 CFAAMO CC[N@H+]1CCC[C@H](CN2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564445 382779645 /nfs/dbraw/zinc/77/96/45/382779645.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 1 1 290.455 2.623 50 0 CFAAMO CC[N@@H+]1CCC[C@H](CN2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564445 382779646 /nfs/dbraw/zinc/77/96/46/382779646.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 1 1 290.455 2.623 50 0 CFAAMO CC[N@H+]1CCC[C@H](CN2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564445 382779648 /nfs/dbraw/zinc/77/96/48/382779648.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 1 1 290.455 2.623 50 0 CFAAMO CC[C@H](c1ccccn1)[N@H+](C)Cc1cnn(C)c1C ZINC000215730579 382780353 /nfs/dbraw/zinc/78/03/53/382780353.db2.gz IPYJICMZFQXSMM-OAHLLOKOSA-N 1 1 258.369 2.707 50 0 CFAAMO CC[C@H](c1ccccn1)[N@@H+](C)Cc1cnn(C)c1C ZINC000215730579 382780356 /nfs/dbraw/zinc/78/03/56/382780356.db2.gz IPYJICMZFQXSMM-OAHLLOKOSA-N 1 1 258.369 2.707 50 0 CFAAMO CC(C)n1cncc1C[N@@H+](C)CCc1ccccn1 ZINC000216137993 382781802 /nfs/dbraw/zinc/78/18/02/382781802.db2.gz IKEYJLXURXINSL-UHFFFAOYSA-N 1 1 258.369 2.534 50 0 CFAAMO Cc1cc(C)n(-c2cccc(C[N@@H+](C)C[C@H]3CCOC3)c2)n1 ZINC000216313889 382783039 /nfs/dbraw/zinc/78/30/39/382783039.db2.gz VTFMBCXYELPPNV-QGZVFWFLSA-N 1 1 299.418 2.957 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000216546503 382784110 /nfs/dbraw/zinc/78/41/10/382784110.db2.gz MPHSGIBKARPHGJ-HNNXBMFYSA-N 1 1 265.401 2.855 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000216546449 382784173 /nfs/dbraw/zinc/78/41/73/382784173.db2.gz MPHSGIBKARPHGJ-OAHLLOKOSA-N 1 1 265.401 2.855 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000224096681 382809357 /nfs/dbraw/zinc/80/93/57/382809357.db2.gz CESFOVNVFNXRAX-HEHGZKQESA-N 1 1 261.365 2.849 50 0 CFAAMO COc1ccc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000225322705 382814406 /nfs/dbraw/zinc/81/44/06/382814406.db2.gz VXTXHRVTNMKRQZ-KRWDZBQOSA-N 1 1 297.402 2.579 50 0 CFAAMO C[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000225466414 382816639 /nfs/dbraw/zinc/81/66/39/382816639.db2.gz MZWVLABMFDWUCH-ZDUSSCGKSA-N 1 1 257.736 2.683 50 0 CFAAMO C[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000225466414 382816641 /nfs/dbraw/zinc/81/66/41/382816641.db2.gz MZWVLABMFDWUCH-ZDUSSCGKSA-N 1 1 257.736 2.683 50 0 CFAAMO O=C(/C=C/c1cccs1)NCCn1cc[nH+]c1C1CC1 ZINC000225565673 382818675 /nfs/dbraw/zinc/81/86/75/382818675.db2.gz IGJROSOQAYEKKK-AATRIKPKSA-N 1 1 287.388 2.652 50 0 CFAAMO C[C@H](C(N)=O)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000229358078 382851208 /nfs/dbraw/zinc/85/12/08/382851208.db2.gz MRDZRNNDCOVKEW-CXAGYDPISA-N 1 1 280.371 2.508 50 0 CFAAMO C[N@H+]1C[C@@H](C(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751722 382831182 /nfs/dbraw/zinc/83/11/82/382831182.db2.gz ZJWWAGNNJPQPEN-QZTJIDSGSA-N 1 1 294.398 2.648 50 0 CFAAMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720205 382853243 /nfs/dbraw/zinc/85/32/43/382853243.db2.gz JQVZWPFQFLTYMJ-DZGCQCFKSA-N 1 1 274.408 2.779 50 0 CFAAMO CCN(C)C(=O)[C@H](C)[N@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244564034 382989357 /nfs/dbraw/zinc/98/93/57/382989357.db2.gz CLJASNVJODXUGT-ZDUSSCGKSA-N 1 1 287.407 2.775 50 0 CFAAMO CCN(C)C(=O)[C@H](C)[N@@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244564034 382989362 /nfs/dbraw/zinc/98/93/62/382989362.db2.gz CLJASNVJODXUGT-ZDUSSCGKSA-N 1 1 287.407 2.775 50 0 CFAAMO C[N@@H+](CCCn1cccn1)C[C@H]1CCN(c2ccccc2)C1 ZINC000244691737 382989778 /nfs/dbraw/zinc/98/97/78/382989778.db2.gz JIGDRYLBTZIZHT-QGZVFWFLSA-N 1 1 298.434 2.732 50 0 CFAAMO C[N@H+](CCc1ccccc1)Cc1nccn1C1CC1 ZINC000244700878 382991508 /nfs/dbraw/zinc/99/15/08/382991508.db2.gz JVPWMTJRWCPUMP-UHFFFAOYSA-N 1 1 255.365 2.893 50 0 CFAAMO C[N@@H+](CCc1ccccc1)Cc1nccn1C1CC1 ZINC000244700878 382991513 /nfs/dbraw/zinc/99/15/13/382991513.db2.gz JVPWMTJRWCPUMP-UHFFFAOYSA-N 1 1 255.365 2.893 50 0 CFAAMO Cc1nc(C[N@H+](C)CCC[C@H]2CCCO2)cs1 ZINC000244858401 382993443 /nfs/dbraw/zinc/99/34/43/382993443.db2.gz VKLQMXGNEVPFKK-ZDUSSCGKSA-N 1 1 254.399 2.843 50 0 CFAAMO Cc1nc(C[N@@H+](C)CCC[C@H]2CCCO2)cs1 ZINC000244858401 382993446 /nfs/dbraw/zinc/99/34/46/382993446.db2.gz VKLQMXGNEVPFKK-ZDUSSCGKSA-N 1 1 254.399 2.843 50 0 CFAAMO CC[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(O)c1 ZINC000244874561 382994266 /nfs/dbraw/zinc/99/42/66/382994266.db2.gz XDEIPPIMCRCYRY-AWEZNQCLSA-N 1 1 278.396 2.517 50 0 CFAAMO CC[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(O)c1 ZINC000244874561 382994269 /nfs/dbraw/zinc/99/42/69/382994269.db2.gz XDEIPPIMCRCYRY-AWEZNQCLSA-N 1 1 278.396 2.517 50 0 CFAAMO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2nccs2)c1 ZINC000244882896 382994606 /nfs/dbraw/zinc/99/46/06/382994606.db2.gz YBDYMBRGXKIZQA-GFCCVEGCSA-N 1 1 261.394 2.910 50 0 CFAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2nccs2)c1 ZINC000244882896 382994609 /nfs/dbraw/zinc/99/46/09/382994609.db2.gz YBDYMBRGXKIZQA-GFCCVEGCSA-N 1 1 261.394 2.910 50 0 CFAAMO CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000245238004 382996672 /nfs/dbraw/zinc/99/66/72/382996672.db2.gz CESFOVNVFNXRAX-DVOMOZLQSA-N 1 1 261.365 2.849 50 0 CFAAMO C[N@H+](Cc1nccn1Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000245316831 382997641 /nfs/dbraw/zinc/99/76/41/382997641.db2.gz KTAROAHTJXIZDY-DLBZAZTESA-N 1 1 299.418 2.667 50 0 CFAAMO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000245316831 382997644 /nfs/dbraw/zinc/99/76/44/382997644.db2.gz KTAROAHTJXIZDY-DLBZAZTESA-N 1 1 299.418 2.667 50 0 CFAAMO CC[N@@H+]1CCCC[C@H]1CNCc1ccnn1-c1ccccc1 ZINC000447936633 383031752 /nfs/dbraw/zinc/03/17/52/383031752.db2.gz QQEDWIBTDFKGBZ-KRWDZBQOSA-N 1 1 298.434 2.836 50 0 CFAAMO CC[N@H+]1CCCC[C@H]1CNCc1ccnn1-c1ccccc1 ZINC000447936633 383031756 /nfs/dbraw/zinc/03/17/56/383031756.db2.gz QQEDWIBTDFKGBZ-KRWDZBQOSA-N 1 1 298.434 2.836 50 0 CFAAMO O=C([C@@H]1CCCc2ccccc21)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000247959263 383201575 /nfs/dbraw/zinc/20/15/75/383201575.db2.gz WOKFBZXQLBMJOX-FUHWJXTLSA-N 1 1 298.430 2.803 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000248088820 383210544 /nfs/dbraw/zinc/21/05/44/383210544.db2.gz BTNVJXOYUPKCPZ-LSDHHAIUSA-N 1 1 276.355 2.525 50 0 CFAAMO O=C(C[N@@H+]1CC[C@@H]2C=CC=C[C@H]2C1)c1ccccc1O ZINC000248070538 383210573 /nfs/dbraw/zinc/21/05/73/383210573.db2.gz YAGRCKDQFZYECD-KBPBESRZSA-N 1 1 269.344 2.639 50 0 CFAAMO O=C(C[N@H+]1CC[C@@H]2C=CC=C[C@H]2C1)c1ccccc1O ZINC000248070538 383210578 /nfs/dbraw/zinc/21/05/78/383210578.db2.gz YAGRCKDQFZYECD-KBPBESRZSA-N 1 1 269.344 2.639 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247280106 383159478 /nfs/dbraw/zinc/15/94/78/383159478.db2.gz YNSNXIOEDSJHRC-YPMHNXCESA-N 1 1 276.409 2.731 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000248159000 383215335 /nfs/dbraw/zinc/21/53/35/383215335.db2.gz WSMPWDFCLKOMTB-GHMZBOCLSA-N 1 1 282.771 2.632 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1cccs1 ZINC000248155294 383215953 /nfs/dbraw/zinc/21/59/53/383215953.db2.gz VKCZSOYHFAWKHT-HUUCEWRRSA-N 1 1 292.448 2.766 50 0 CFAAMO C[C@H](CC[N@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000249038665 383319474 /nfs/dbraw/zinc/31/94/74/383319474.db2.gz TZSPGXPYHXCEHE-SJLPKXTDSA-N 1 1 288.435 2.587 50 0 CFAAMO CC1(C)CN(c2cc[nH+]c(N)n2)C[C@H]1c1ccccc1 ZINC000426433663 383400535 /nfs/dbraw/zinc/40/05/35/383400535.db2.gz OEJVYGGIBVIGKN-ZDUSSCGKSA-N 1 1 268.364 2.519 50 0 CFAAMO CCN(C)c1ccc(C[NH2+]Cc2cc(C(C)C)no2)cn1 ZINC000252478234 383410186 /nfs/dbraw/zinc/41/01/86/383410186.db2.gz AFXLZYYMRMGEBV-UHFFFAOYSA-N 1 1 288.395 2.939 50 0 CFAAMO CCc1ccccc1OCC[N@@H+](C)Cc1cncn1CC ZINC000252482367 383411363 /nfs/dbraw/zinc/41/13/63/383411363.db2.gz DDVRNSOGXRWSKX-UHFFFAOYSA-N 1 1 287.407 2.976 50 0 CFAAMO CCc1ccccc1OCC[N@H+](C)Cc1cncn1CC ZINC000252482367 383411368 /nfs/dbraw/zinc/41/13/68/383411368.db2.gz DDVRNSOGXRWSKX-UHFFFAOYSA-N 1 1 287.407 2.976 50 0 CFAAMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)C1CC1)CC2 ZINC000252487606 383412910 /nfs/dbraw/zinc/41/29/10/383412910.db2.gz ZJPFLTIUBQBMDJ-BMFZPTHFSA-N 1 1 293.455 2.689 50 0 CFAAMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2nccc(N)n2)c1 ZINC000253427254 383458908 /nfs/dbraw/zinc/45/89/08/383458908.db2.gz XZWFACYWXOGZGQ-IUODEOHRSA-N 1 1 298.390 2.651 50 0 CFAAMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2nccc(N)n2)c1 ZINC000253427254 383458912 /nfs/dbraw/zinc/45/89/12/383458912.db2.gz XZWFACYWXOGZGQ-IUODEOHRSA-N 1 1 298.390 2.651 50 0 CFAAMO C[C@@H]([NH2+][C@@H]1CC(C)(C)CCc2ccccc21)c1nnnn1C ZINC000253429977 383459999 /nfs/dbraw/zinc/45/99/99/383459999.db2.gz VGDUDXCXUMJDQE-IUODEOHRSA-N 1 1 299.422 2.965 50 0 CFAAMO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](OCCC(C)C)C2)cn1 ZINC000253432543 383460166 /nfs/dbraw/zinc/46/01/66/383460166.db2.gz LCSKXBGOKYRJNK-CABCVRRESA-N 1 1 277.412 2.983 50 0 CFAAMO Cc1cc(N=NC(C)c2ccc(N)cc2)nc(C)n1 ZINC000254501876 383467768 /nfs/dbraw/zinc/46/77/68/383467768.db2.gz XSWRUGHMOJWMNF-UHFFFAOYSA-N 1 1 255.325 2.512 50 0 CFAAMO CC1(C)C[N@@H+](CCn2cccn2)Cc2ccccc2O1 ZINC000289142568 197244852 /nfs/dbraw/zinc/24/48/52/197244852.db2.gz YQQPLKXNZZVNAN-UHFFFAOYSA-N 1 1 271.364 2.556 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)nn1 ZINC000283276474 385452331 /nfs/dbraw/zinc/45/23/31/385452331.db2.gz WVXUKZCKFIMNNP-HNNXBMFYSA-N 1 1 298.390 2.562 50 0 CFAAMO CSc1ccc(C)c(NC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000272371178 385521090 /nfs/dbraw/zinc/52/10/90/385521090.db2.gz PMKGKLZGMRXNGI-UHFFFAOYSA-N 1 1 293.436 2.886 50 0 CFAAMO CCC[C@@]1(CO)CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000288861415 197181131 /nfs/dbraw/zinc/18/11/31/197181131.db2.gz PVOONUMUCSQYGO-QGZVFWFLSA-N 1 1 277.408 2.858 50 0 CFAAMO NC(=O)[C@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1 ZINC000096297190 256774063 /nfs/dbraw/zinc/77/40/63/256774063.db2.gz VZLHDHCCWARFEZ-BSDKJSHOSA-N 1 1 266.344 2.516 50 0 CFAAMO COc1cccc2c1OC[C@@H](Cc1ccc(N(C)C)[nH+]c1)C2 ZINC000095361726 184953550 /nfs/dbraw/zinc/95/35/50/184953550.db2.gz ILHDOOZSUNESRN-AWEZNQCLSA-N 1 1 298.386 2.950 50 0 CFAAMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccncc1 ZINC000096489815 533392002 /nfs/dbraw/zinc/39/20/02/533392002.db2.gz DBGFYLIDPNWRHN-CQSZACIVSA-N 1 1 261.413 2.997 50 0 CFAAMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccncc1 ZINC000096489815 533392005 /nfs/dbraw/zinc/39/20/05/533392005.db2.gz DBGFYLIDPNWRHN-CQSZACIVSA-N 1 1 261.413 2.997 50 0 CFAAMO c1c[nH+]c(C2CCN(c3nc4ccccc4o3)CC2)[nH]1 ZINC000072409379 285424741 /nfs/dbraw/zinc/42/47/41/285424741.db2.gz UBJPPSCNBPDCEH-UHFFFAOYSA-N 1 1 268.320 2.935 50 0 CFAAMO C[N@H+]1CCC[C@H]1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000263847868 131345557 /nfs/dbraw/zinc/34/55/57/131345557.db2.gz BQBGDGCZWRZVPF-AWEZNQCLSA-N 1 1 292.810 2.582 50 0 CFAAMO C[N@@H+](Cc1nc(-c2ccccn2)no1)C1CCCCC1 ZINC000012430058 393472869 /nfs/dbraw/zinc/47/28/69/393472869.db2.gz PLIIOEKXEJFFAZ-UHFFFAOYSA-N 1 1 272.352 2.896 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCc1ccco1 ZINC000015301357 393479447 /nfs/dbraw/zinc/47/94/47/393479447.db2.gz MJVFEXYAVOGPSV-CYBMUJFWSA-N 1 1 290.388 2.794 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCc1ccco1 ZINC000015301357 393479456 /nfs/dbraw/zinc/47/94/56/393479456.db2.gz MJVFEXYAVOGPSV-CYBMUJFWSA-N 1 1 290.388 2.794 50 0 CFAAMO C[N@@H+]1CCN(C(=O)c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000030028971 393505207 /nfs/dbraw/zinc/50/52/07/393505207.db2.gz AZNXCGLJTMCYSZ-KRWDZBQOSA-N 1 1 298.361 2.955 50 0 CFAAMO C[N@H+]1CCN(C(=O)c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000030028971 393505212 /nfs/dbraw/zinc/50/52/12/393505212.db2.gz AZNXCGLJTMCYSZ-KRWDZBQOSA-N 1 1 298.361 2.955 50 0 CFAAMO CC(C)(O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000096441657 393833795 /nfs/dbraw/zinc/83/37/95/393833795.db2.gz QTTOBDWZSKPAEH-CYBMUJFWSA-N 1 1 265.422 2.872 50 0 CFAAMO CCO[C@H](C)C[N@@H+](C)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091350489 393783078 /nfs/dbraw/zinc/78/30/78/393783078.db2.gz WSFPALHCQNIBDS-CYBMUJFWSA-N 1 1 288.391 2.693 50 0 CFAAMO CC[C@H](C)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000242292592 393798090 /nfs/dbraw/zinc/79/80/90/393798090.db2.gz YNODHIQYWCWQLK-STQMWFEESA-N 1 1 254.418 2.802 50 0 CFAAMO Cc1ccccc1[C@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000095509485 393813189 /nfs/dbraw/zinc/81/31/89/393813189.db2.gz LECFTGQOJNXTBV-ZDUSSCGKSA-N 1 1 268.364 2.751 50 0 CFAAMO c1ccc(O[C@@H]2CC[N@H+](Cc3ccncc3)C2)cc1 ZINC000096424687 393829401 /nfs/dbraw/zinc/82/94/01/393829401.db2.gz VPROFXVMXMFZRW-MRXNPFEDSA-N 1 1 254.333 2.735 50 0 CFAAMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000096424704 393829422 /nfs/dbraw/zinc/82/94/22/393829422.db2.gz VRLDIEKJAWJMLI-CHWSQXEVSA-N 1 1 268.788 2.860 50 0 CFAAMO COCCN(Cc1ccsc1)C[C@@H]1CCCC[N@H+]1C ZINC000252496811 393936069 /nfs/dbraw/zinc/93/60/69/393936069.db2.gz PSEPTTPLRUTHIH-HNNXBMFYSA-N 1 1 282.453 2.681 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000253393292 393941678 /nfs/dbraw/zinc/94/16/78/393941678.db2.gz YZNGYNJFPLSVNR-GDBMZVCRSA-N 1 1 263.381 2.733 50 0 CFAAMO Cc1nc(C[NH2+][C@@H]2CCc3ccccc3OC2)oc1C ZINC000367220519 394252165 /nfs/dbraw/zinc/25/21/65/394252165.db2.gz VOSVMHGOLAOWRC-CQSZACIVSA-N 1 1 272.348 2.775 50 0 CFAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N(C)C ZINC000170607729 394371582 /nfs/dbraw/zinc/37/15/82/394371582.db2.gz RJWPONFYQFTBAG-GFCCVEGCSA-N 1 1 266.410 2.536 50 0 CFAAMO Clc1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000091480134 135070930 /nfs/dbraw/zinc/07/09/30/135070930.db2.gz ARTYQLHANVGSOI-JTQLQIEISA-N 1 1 262.744 2.842 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C[C@@H]2C=CCC2)ccn1 ZINC000047013543 397583748 /nfs/dbraw/zinc/58/37/48/397583748.db2.gz OHTBEUFOQCRHTH-CQSZACIVSA-N 1 1 296.374 2.548 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000007811387 397537195 /nfs/dbraw/zinc/53/71/95/397537195.db2.gz SNKAHQFFCQFZRX-BETUJISGSA-N 1 1 294.826 2.934 50 0 CFAAMO C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]Cc2ccccc2F)[C@H]1C ZINC000102253897 397594028 /nfs/dbraw/zinc/59/40/28/397594028.db2.gz NOHHYXJOLYVXCJ-DVOMOZLQSA-N 1 1 292.398 2.856 50 0 CFAAMO c1n[nH]cc1[C@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000108858284 397598521 /nfs/dbraw/zinc/59/85/21/397598521.db2.gz COXXFAQVKOSKBU-LBPRGKRZSA-N 1 1 286.379 2.656 50 0 CFAAMO Clc1ccc2c(c1)C[N@H+](C[C@@H]1CCOC1)CCO2 ZINC000216531284 397620277 /nfs/dbraw/zinc/62/02/77/397620277.db2.gz WDIPNZFCELMYOO-NSHDSACASA-N 1 1 267.756 2.571 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C ZINC000239782585 292354307 /nfs/dbraw/zinc/35/43/07/292354307.db2.gz CPLGFGVZGNQBRG-LGWLGOQQSA-N 1 1 284.403 2.785 50 0 CFAAMO C[C@@H]([NH2+][C@]1(CO)CCc2ccccc21)c1nccs1 ZINC000097038406 287072839 /nfs/dbraw/zinc/07/28/39/287072839.db2.gz FVUMBTCGQRCAQX-ABAIWWIYSA-N 1 1 274.389 2.628 50 0 CFAAMO C[NH+](C)CC(C)(C)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000003350903 169881889 /nfs/dbraw/zinc/88/18/89/169881889.db2.gz ZMAUZOFQYISOHI-UHFFFAOYSA-N 1 1 291.420 2.647 50 0 CFAAMO CC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000004842826 170028986 /nfs/dbraw/zinc/02/89/86/170028986.db2.gz PJQLVHHZYRUUSX-CYBMUJFWSA-N 1 1 261.365 3.000 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000006008017 170167821 /nfs/dbraw/zinc/16/78/21/170167821.db2.gz MMGBWQXPHCBIBW-YOEHRIQHSA-N 1 1 289.419 2.647 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000006576721 170214646 /nfs/dbraw/zinc/21/46/46/170214646.db2.gz OBVOCZTXJINSPD-TZMCWYRMSA-N 1 1 283.799 2.812 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCCOc2cccc(C=O)c2)C1 ZINC000006701182 170229307 /nfs/dbraw/zinc/22/93/07/170229307.db2.gz KUVCDVPQSDZEOX-CQSZACIVSA-N 1 1 261.365 3.000 50 0 CFAAMO OCCn1c2cc(Cl)ccc2nc1C[NH+]1CCCCC1 ZINC000007587409 170291730 /nfs/dbraw/zinc/29/17/30/170291730.db2.gz ZDGSMQYCHQIIBW-UHFFFAOYSA-N 1 1 293.798 2.668 50 0 CFAAMO COc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007785715 170302413 /nfs/dbraw/zinc/30/24/13/170302413.db2.gz CYTNPQADUDYGAH-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO COc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007785715 170302415 /nfs/dbraw/zinc/30/24/15/170302415.db2.gz CYTNPQADUDYGAH-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000009155569 170364626 /nfs/dbraw/zinc/36/46/26/170364626.db2.gz CPWZLJDIPSUBKX-LLVKDONJSA-N 1 1 264.344 2.805 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000009155569 170364627 /nfs/dbraw/zinc/36/46/27/170364627.db2.gz CPWZLJDIPSUBKX-LLVKDONJSA-N 1 1 264.344 2.805 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)NCc1ccco1 ZINC000010087395 170397357 /nfs/dbraw/zinc/39/73/57/170397357.db2.gz KOOLQXKNNSSDMO-INIZCTEOSA-N 1 1 284.359 2.733 50 0 CFAAMO O=C(C1=CCCC1)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012597307 170499932 /nfs/dbraw/zinc/49/99/32/170499932.db2.gz UMJISUVBADSPCL-GOSISDBHSA-N 1 1 288.435 2.821 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)c1 ZINC000019782461 170862515 /nfs/dbraw/zinc/86/25/15/170862515.db2.gz JNJYTGUSGHCORC-UHFFFAOYSA-N 1 1 274.408 2.685 50 0 CFAAMO COc1ccc(OC)c(C[NH2+]C[C@H](CC(C)C)N(C)C)c1 ZINC000020201653 171066439 /nfs/dbraw/zinc/06/64/39/171066439.db2.gz NVGWHDVYONIDSL-HNNXBMFYSA-N 1 1 294.439 2.770 50 0 CFAAMO CN(Cc1ncc[nH]1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020450748 171207749 /nfs/dbraw/zinc/20/77/49/171207749.db2.gz FCWDODNSRRTYAU-QGZVFWFLSA-N 1 1 298.434 2.549 50 0 CFAAMO C[N@@H+](CCc1ccc(Cl)cc1)C1CCOCC1 ZINC000020607623 171267547 /nfs/dbraw/zinc/26/75/47/171267547.db2.gz ZCRMYZUTGMFIKA-UHFFFAOYSA-N 1 1 253.773 2.993 50 0 CFAAMO CCCOc1cccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020639515 171268973 /nfs/dbraw/zinc/26/89/73/171268973.db2.gz FXFXRIWWKCDPEW-GJZGRUSLSA-N 1 1 293.407 2.963 50 0 CFAAMO CC(C)C[N@H+]1CCN(CCCC2CCCC2)C[C@@H]1CCO ZINC000020776102 171272160 /nfs/dbraw/zinc/27/21/60/171272160.db2.gz XVCOYKJKAIAETF-SFHVURJKSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)CN1CC[N@H+](CCCC2CCCC2)C[C@@H]1CCO ZINC000020776102 171272161 /nfs/dbraw/zinc/27/21/61/171272161.db2.gz XVCOYKJKAIAETF-SFHVURJKSA-N 1 1 296.499 2.981 50 0 CFAAMO CC(C)CN1CC[N@@H+](CCCC2CCCC2)C[C@@H]1CCO ZINC000020776102 171272163 /nfs/dbraw/zinc/27/21/63/171272163.db2.gz XVCOYKJKAIAETF-SFHVURJKSA-N 1 1 296.499 2.981 50 0 CFAAMO O[C@@H](c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020791753 171272416 /nfs/dbraw/zinc/27/24/16/171272416.db2.gz MLWIPELGYZQEMS-MOPGFXCFSA-N 1 1 297.398 2.836 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000020867927 171276758 /nfs/dbraw/zinc/27/67/58/171276758.db2.gz DFNLEDKRPDALNQ-CQSZACIVSA-N 1 1 269.772 2.830 50 0 CFAAMO C[C@H](NC(=O)CC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000022198968 171372171 /nfs/dbraw/zinc/37/21/71/171372171.db2.gz PDAYHIHZZQGBMR-AWEZNQCLSA-N 1 1 286.375 2.979 50 0 CFAAMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc2cc[nH]c2cn1 ZINC000655179353 414136841 /nfs/dbraw/zinc/13/68/41/414136841.db2.gz MOFRFBFNZPTRAM-LLVKDONJSA-N 1 1 297.362 2.912 50 0 CFAAMO CC1(C)C[C@@H](C[N@H+]2CC[C@](O)(c3ccccc3)C2)CCO1 ZINC000039490373 174168418 /nfs/dbraw/zinc/16/84/18/174168418.db2.gz YXUVAYFFOOZIPC-MAUKXSAKSA-N 1 1 289.419 2.785 50 0 CFAAMO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000040050475 174185206 /nfs/dbraw/zinc/18/52/06/174185206.db2.gz HZINDFKNDSIVSL-ZDUSSCGKSA-N 1 1 260.381 2.972 50 0 CFAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CC=CCC3)sc2C1 ZINC000040489352 174290782 /nfs/dbraw/zinc/29/07/82/174290782.db2.gz XJWIADMEPHPJBQ-NSHDSACASA-N 1 1 291.420 2.816 50 0 CFAAMO CC[N@H+]1CCc2nc(NC(=O)[C@H]3CC=CCC3)sc2C1 ZINC000040489352 174290784 /nfs/dbraw/zinc/29/07/84/174290784.db2.gz XJWIADMEPHPJBQ-NSHDSACASA-N 1 1 291.420 2.816 50 0 CFAAMO CCC[C@@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000040535022 174319888 /nfs/dbraw/zinc/31/98/88/174319888.db2.gz SDCJRJWPIKQBTC-GFCCVEGCSA-N 1 1 286.379 2.628 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)no1 ZINC000044590993 175212718 /nfs/dbraw/zinc/21/27/18/175212718.db2.gz OUMPSPIBDLDRRK-HOTGVXAUSA-N 1 1 272.348 2.854 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000044866722 175267768 /nfs/dbraw/zinc/26/77/68/175267768.db2.gz LHIIWSZSBBRDDG-STQMWFEESA-N 1 1 269.410 2.500 50 0 CFAAMO O=C(c1ccoc1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000045782986 175383648 /nfs/dbraw/zinc/38/36/48/175383648.db2.gz LWBHPOIMZIEWLO-UHFFFAOYSA-N 1 1 298.386 2.670 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000045943471 175387204 /nfs/dbraw/zinc/38/72/04/175387204.db2.gz ACDGHJOQBDWPGP-GFCCVEGCSA-N 1 1 272.352 2.754 50 0 CFAAMO CC(C)COC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000046086529 175392003 /nfs/dbraw/zinc/39/20/03/175392003.db2.gz VWWAJQFXCWVUNA-UHFFFAOYSA-N 1 1 276.380 2.597 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)NC(C)(C)C ZINC000069617081 175843030 /nfs/dbraw/zinc/84/30/30/175843030.db2.gz GSBHRIAIKOTFJX-VHSXEESVSA-N 1 1 284.350 2.919 50 0 CFAAMO CCn1c(C(=O)N2CC[NH+](C3CC3)CC2)cc2ccccc21 ZINC000071836635 176273853 /nfs/dbraw/zinc/27/38/53/176273853.db2.gz ZZMHORSGYZRSBH-UHFFFAOYSA-N 1 1 297.402 2.581 50 0 CFAAMO CC(C)CC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000071871649 176283775 /nfs/dbraw/zinc/28/37/75/176283775.db2.gz LSNQFLOKHIUCOK-UHFFFAOYSA-N 1 1 292.427 2.501 50 0 CFAAMO CC[N@H+](Cc1nc(C)c2ccccc2n1)C[C@@H]1CCOC1 ZINC000071908293 176296914 /nfs/dbraw/zinc/29/69/14/176296914.db2.gz IRPDRYKQXAAAFW-AWEZNQCLSA-N 1 1 285.391 2.797 50 0 CFAAMO CCCc1[nH+]ccn1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000072145645 176324639 /nfs/dbraw/zinc/32/46/39/176324639.db2.gz IWTJFPUZBQLPCT-UHFFFAOYSA-N 1 1 298.346 2.943 50 0 CFAAMO c1c[nH]c(CN2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000072145741 176325182 /nfs/dbraw/zinc/32/51/82/176325182.db2.gz TWJZYUKJZDCZSV-UHFFFAOYSA-N 1 1 298.434 2.550 50 0 CFAAMO C[N@@H+](Cc1cccnc1N)Cc1cccc2ncccc12 ZINC000072151143 176327538 /nfs/dbraw/zinc/32/75/38/176327538.db2.gz DSETWXHMSFYROL-UHFFFAOYSA-N 1 1 278.359 2.844 50 0 CFAAMO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000072281376 176358713 /nfs/dbraw/zinc/35/87/13/176358713.db2.gz WPEJHBRCAJQIHZ-UHFFFAOYSA-N 1 1 280.324 2.638 50 0 CFAAMO Cc1[nH+]ccn1C[C@H]1CCCN(c2nc(C)cc(C)n2)C1 ZINC000072351954 176374096 /nfs/dbraw/zinc/37/40/96/176374096.db2.gz HSCGBXMJOJGCPL-OAHLLOKOSA-N 1 1 285.395 2.515 50 0 CFAAMO Cn1cc(CC[N@@H+](C)CCCc2ccccc2)cn1 ZINC000077265637 177246662 /nfs/dbraw/zinc/24/66/62/177246662.db2.gz TWKWURKIIXLWIU-UHFFFAOYSA-N 1 1 257.381 2.527 50 0 CFAAMO c1ccc(CCC[N@H+]2CCCN(c3cnccn3)CC2)cc1 ZINC000077318857 177252143 /nfs/dbraw/zinc/25/21/43/177252143.db2.gz ZBXCVJOFDDKHGG-UHFFFAOYSA-N 1 1 296.418 2.622 50 0 CFAAMO CC[N@@H+](CCNCc1c(C)nc2sccn12)C(C)C ZINC000077404029 177263521 /nfs/dbraw/zinc/26/35/21/177263521.db2.gz ZWSHMPNPZMZOBA-UHFFFAOYSA-N 1 1 280.441 2.524 50 0 CFAAMO CCN(CC[NH2+]Cc1c(C)nc2sccn12)C(C)C ZINC000077404029 177263523 /nfs/dbraw/zinc/26/35/23/177263523.db2.gz ZWSHMPNPZMZOBA-UHFFFAOYSA-N 1 1 280.441 2.524 50 0 CFAAMO Cc1nc(C[N@H+]2CCCC[C@@H]2CCn2cccn2)co1 ZINC000077407559 177263985 /nfs/dbraw/zinc/26/39/85/177263985.db2.gz HUTIPFVHSSNVPB-OAHLLOKOSA-N 1 1 274.368 2.624 50 0 CFAAMO Cc1[nH+]ccn1CCCC(=O)N(C)c1ccc(Cl)cn1 ZINC000078112787 177322889 /nfs/dbraw/zinc/32/28/89/177322889.db2.gz RSYRSZXTDQCAOJ-UHFFFAOYSA-N 1 1 292.770 2.683 50 0 CFAAMO Cc1[nH+]ccn1CCCNc1ccc(Br)cn1 ZINC000078333420 177333520 /nfs/dbraw/zinc/33/35/20/177333520.db2.gz BYZHRADXGPGFJO-UHFFFAOYSA-N 1 1 295.184 2.851 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1c[nH]nc1-c1cccs1 ZINC000035052654 260006386 /nfs/dbraw/zinc/00/63/86/260006386.db2.gz RIIVBOZFETVGJI-CYBMUJFWSA-N 1 1 290.436 2.712 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1c[nH]nc1-c1cccs1 ZINC000035052654 260006388 /nfs/dbraw/zinc/00/63/88/260006388.db2.gz RIIVBOZFETVGJI-CYBMUJFWSA-N 1 1 290.436 2.712 50 0 CFAAMO CCOC(=O)[C@H]1CC2(CCCCC2)[N@H+]2CCC[C@H]12 ZINC000004343237 260014829 /nfs/dbraw/zinc/01/48/29/260014829.db2.gz DUXGYQFYWPNKJS-QWHCGFSZSA-N 1 1 251.370 2.737 50 0 CFAAMO O[C@H](C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000025217259 275057761 /nfs/dbraw/zinc/05/77/61/275057761.db2.gz YKWPCIDHTLDGKV-QGZVFWFLSA-N 1 1 271.335 2.917 50 0 CFAAMO CCC[C@@H]1COCC[N@H+]1CCC(=O)NC1CCCCCC1 ZINC000065372820 276033099 /nfs/dbraw/zinc/03/30/99/276033099.db2.gz SOJYTCBQLLTLDW-MRXNPFEDSA-N 1 1 296.455 2.716 50 0 CFAAMO COc1ccc2cc([C@@H]3C[N@H+](C)CCO3)ccc2c1 ZINC000071748499 278000552 /nfs/dbraw/zinc/00/05/52/278000552.db2.gz JWVAUKRDIXNEBA-INIZCTEOSA-N 1 1 257.333 2.852 50 0 CFAAMO COc1ccc2cc([C@@H]3C[N@@H+](C)CCO3)ccc2c1 ZINC000071748499 278000554 /nfs/dbraw/zinc/00/05/54/278000554.db2.gz JWVAUKRDIXNEBA-INIZCTEOSA-N 1 1 257.333 2.852 50 0 CFAAMO Cc1ccc(-n2nnnc2C(C)(C)[NH+]2CCCCC2)cc1 ZINC000046078287 278777535 /nfs/dbraw/zinc/77/75/35/278777535.db2.gz ZAXZTWBWAHVAOW-UHFFFAOYSA-N 1 1 285.395 2.692 50 0 CFAAMO Cc1cnc([C@@H](C)[NH+]2CCC(c3cnn(C)c3)CC2)o1 ZINC000095458192 280579128 /nfs/dbraw/zinc/57/91/28/280579128.db2.gz LCUBLFCYMPDBLS-GFCCVEGCSA-N 1 1 274.368 2.657 50 0 CFAAMO C[C@H](c1cccc(Br)c1)[NH+]1CCC(O)CC1 ZINC000120131769 290245163 /nfs/dbraw/zinc/24/51/63/290245163.db2.gz KLVAXUDXTLUENV-SNVBAGLBSA-N 1 1 284.197 2.967 50 0 CFAAMO NC1=C[N+](=O)C(c2ccccc2)c2cc(Cl)ccc2N1 ZINC000002036827 295210728 /nfs/dbraw/zinc/21/07/28/295210728.db2.gz LNLMGKOHYYEWMY-UHFFFAOYSA-N 1 1 285.734 2.690 50 0 in-vitro CFAAMO CCC[N@H+]1CC[C@H](CNc2nnc(C)c3ccccc32)C1 ZINC000534592662 328318606 /nfs/dbraw/zinc/31/86/06/328318606.db2.gz UCTHJVXFFYKJQK-CQSZACIVSA-N 1 1 284.407 2.504 50 0 CFAAMO CCOc1ccnc(NC[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000534655193 328339314 /nfs/dbraw/zinc/33/93/14/328339314.db2.gz FBKCSNDFRPJORK-CYBMUJFWSA-N 1 1 290.411 2.552 50 0 CFAAMO Cc1[nH+]ccn1CCCNC(=O)N[C@@H](C)C1CCCCC1 ZINC000076086247 327128650 /nfs/dbraw/zinc/12/86/50/327128650.db2.gz IFKUOKOXEKOREH-ZDUSSCGKSA-N 1 1 292.427 2.850 50 0 CFAAMO COC[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000107053911 327247449 /nfs/dbraw/zinc/24/74/49/327247449.db2.gz BWZYZKZKNYDDJS-HZPDHXFCSA-N 1 1 263.381 2.529 50 0 CFAAMO Cc1cc(NCc2nccn2-c2ccccc2)nc(C)[nH+]1 ZINC000193537217 534001254 /nfs/dbraw/zinc/00/12/54/534001254.db2.gz ZRUOWVKCFFVNOH-UHFFFAOYSA-N 1 1 279.347 2.891 50 0 CFAAMO CC[N@H+](CCCc1ccccc1)Cc1nnc(C)[nH]1 ZINC000243892754 535726634 /nfs/dbraw/zinc/72/66/34/535726634.db2.gz AKQOVBOUBWZVOV-UHFFFAOYSA-N 1 1 258.369 2.568 50 0 CFAAMO CC[N@@H+](CCCc1ccccc1)Cc1nnc(C)[nH]1 ZINC000243892754 535726641 /nfs/dbraw/zinc/72/66/41/535726641.db2.gz AKQOVBOUBWZVOV-UHFFFAOYSA-N 1 1 258.369 2.568 50 0 CFAAMO O[C@H](C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(F)cc1 ZINC000096452807 534426548 /nfs/dbraw/zinc/42/65/48/534426548.db2.gz DJCLWRZMYFAXTO-QGZVFWFLSA-N 1 1 286.350 2.919 50 0 CFAAMO C[NH+](C)CCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000019872371 521787465 /nfs/dbraw/zinc/78/74/65/521787465.db2.gz KOBMPMGYVHNVDE-UHFFFAOYSA-N 1 1 262.328 2.737 50 0 CFAAMO CC[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccccc1 ZINC000340681113 523105884 /nfs/dbraw/zinc/10/58/84/523105884.db2.gz PJTZRRUWHOKYLJ-HNNXBMFYSA-N 1 1 260.381 2.519 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCCc2nccn2C)c(F)c1 ZINC000215051525 524004365 /nfs/dbraw/zinc/00/43/65/524004365.db2.gz YVILPVLAHDBRPW-UHFFFAOYSA-N 1 1 291.370 2.632 50 0 CFAAMO C[C@@H]1CC[C@H](COC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000013563190 524681019 /nfs/dbraw/zinc/68/10/19/524681019.db2.gz TUWFNZHZUSMXEP-HZSPNIEDSA-N 1 1 253.386 2.698 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490610 529226329 /nfs/dbraw/zinc/22/63/29/529226329.db2.gz URWBSVFZEIGXOS-UONOGXRCSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490610 529226331 /nfs/dbraw/zinc/22/63/31/529226331.db2.gz URWBSVFZEIGXOS-UONOGXRCSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490610 529226333 /nfs/dbraw/zinc/22/63/33/529226333.db2.gz URWBSVFZEIGXOS-UONOGXRCSA-N 1 1 287.407 2.822 50 0 CFAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441711 529233233 /nfs/dbraw/zinc/23/32/33/529233233.db2.gz FRGPVYIMSYSRLH-NEPJUHHUSA-N 1 1 297.424 2.528 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cc(C2CC2)n[nH]1 ZINC000670452533 567182005 /nfs/dbraw/zinc/18/20/05/567182005.db2.gz CENAWMVJZXROBF-UHFFFAOYSA-N 1 1 287.411 2.692 50 0 CFAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccco2)C1 ZINC000952987646 615064997 /nfs/dbraw/zinc/06/49/97/615064997.db2.gz KHVHTDNTLZLXCY-OAHLLOKOSA-N 1 1 298.386 2.905 50 0 CFAAMO CCN(Cc1[nH]nc(C)c1Cl)C[C@@H]1CC[N@@H+](CC)C1 ZINC000952987219 615203944 /nfs/dbraw/zinc/20/39/44/615203944.db2.gz JHMFDNSGEUOZIJ-GFCCVEGCSA-N 1 1 284.835 2.535 50 0 CFAAMO CCc1[nH]c(CN2CCO[C@@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000952964852 615736306 /nfs/dbraw/zinc/73/63/06/615736306.db2.gz BWOZBZOJUBVZLH-MRXNPFEDSA-N 1 1 285.391 2.854 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000952986852 615777330 /nfs/dbraw/zinc/77/73/30/615777330.db2.gz GGMLYYXWBUYPLF-OAHLLOKOSA-N 1 1 299.418 2.973 50 0 CFAAMO COc1cc(C)ccc1C[NH2+]Cc1cc(C)ccn1 ZINC000888095972 619131319 /nfs/dbraw/zinc/13/13/19/619131319.db2.gz MDNPAOMOYIFJJX-UHFFFAOYSA-N 1 1 256.349 2.997 50 0 CFAAMO COc1ccccc1N1CC[NH+](Cc2ccoc2)CC1 ZINC000055543056 622955079 /nfs/dbraw/zinc/95/50/79/622955079.db2.gz GSLYMJUXMWKZPH-UHFFFAOYSA-N 1 1 272.348 2.610 50 0 CFAAMO Cn1ccc2ccc(C[N@H+]3CC[C@H](C(C)(C)O)C3)cc21 ZINC000670449151 626408172 /nfs/dbraw/zinc/40/81/72/626408172.db2.gz WGTGYQYSDDWEAM-HNNXBMFYSA-N 1 1 272.392 2.771 50 0 CFAAMO Cc1cccc(C[N@@H+](Cc2cncnc2)C[C@@H]2CCCO2)c1 ZINC000952967991 650789982 /nfs/dbraw/zinc/78/99/82/650789982.db2.gz JDIUJZLUOYMANG-SFHVURJKSA-N 1 1 297.402 2.966 50 0 CFAAMO Cc1cccc(C[N@H+](Cc2cncnc2)C[C@@H]2CCCO2)c1 ZINC000952967991 650789983 /nfs/dbraw/zinc/78/99/83/650789983.db2.gz JDIUJZLUOYMANG-SFHVURJKSA-N 1 1 297.402 2.966 50 0 CFAAMO Clc1cncc(C[N@@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC000952995605 650792775 /nfs/dbraw/zinc/79/27/75/650792775.db2.gz RGRDJECIIABXNS-LBPRGKRZSA-N 1 1 274.755 2.515 50 0 CFAAMO Clc1cncc(C[N@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC000952995605 650792779 /nfs/dbraw/zinc/79/27/79/650792779.db2.gz RGRDJECIIABXNS-LBPRGKRZSA-N 1 1 274.755 2.515 50 0 CFAAMO O=C(Nc1ccccc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000827939045 647818550 /nfs/dbraw/zinc/81/85/50/647818550.db2.gz DBAUTHDMBHKKOS-UHFFFAOYSA-N 1 1 273.380 2.779 50 0 CFAAMO Cc1[nH+]ccn1CCCNC(=O)c1cc2c(C)cccn2c1 ZINC000929083973 648975780 /nfs/dbraw/zinc/97/57/80/648975780.db2.gz ZMSZIVVYCYNPNP-UHFFFAOYSA-N 1 1 296.374 2.573 50 0 CFAAMO C[C@H](O)C[NH+](Cc1c(Cl)cccc1Cl)C[C@H](C)O ZINC000000217036 651101148 /nfs/dbraw/zinc/10/11/48/651101148.db2.gz BBIWYAAXGZOYKA-UWVGGRQHSA-N 1 1 292.206 2.557 50 0 CFAAMO Cc1cccc(Cl)c1OCCC[NH+]1CCOCC1 ZINC000019720947 651292984 /nfs/dbraw/zinc/29/29/84/651292984.db2.gz OYQXGZZCMKOOAQ-UHFFFAOYSA-N 1 1 269.772 2.750 50 0 CFAAMO Cc1ncsc1CCC[N@H+](C)Cc1c(C)n[nH]c1C ZINC000020999138 651302613 /nfs/dbraw/zinc/30/26/13/651302613.db2.gz SSOFWWCTTFTILJ-UHFFFAOYSA-N 1 1 278.425 2.856 50 0 CFAAMO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000081009936 778560684 /nfs/dbraw/zinc/56/06/84/778560684.db2.gz HIJGKCOOJRGDNU-LLVKDONJSA-N 1 1 295.814 2.686 50 0 CFAAMO Cc1ccsc1CNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063845020 781561760 /nfs/dbraw/zinc/56/17/60/781561760.db2.gz HHYKZGIFDVXNSW-HZPDHXFCSA-N 1 1 294.464 2.526 50 0 CFAAMO CC[C@H](C(=O)N(CC)C1CCCCC1)[N@@H+](C)CC ZINC000822542435 781903909 /nfs/dbraw/zinc/90/39/09/781903909.db2.gz JUAOCSPETZLVIA-CQSZACIVSA-N 1 1 254.418 2.898 50 0 CFAAMO CCCc1cc(NCCn2c[nH+]c(C)c2C)nc(C)n1 ZINC000823009660 781916394 /nfs/dbraw/zinc/91/63/94/781916394.db2.gz WMJNZFDWZVVPJL-UHFFFAOYSA-N 1 1 273.384 2.663 50 0 CFAAMO CCCO[C@@H]1CCCN(C[C@H]2CCCCC[N@H+]2C)C1 ZINC000822975660 781918449 /nfs/dbraw/zinc/91/84/49/781918449.db2.gz GRQMHXSSAHAFDW-HZPDHXFCSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@@H]1CCC[N@H+](C[C@H]2CCCCCN2C)C1 ZINC000822975660 781918457 /nfs/dbraw/zinc/91/84/57/781918457.db2.gz GRQMHXSSAHAFDW-HZPDHXFCSA-N 1 1 268.445 2.752 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](C[C@H]2CCCCCN2C)C1 ZINC000822975660 781918465 /nfs/dbraw/zinc/91/84/65/781918465.db2.gz GRQMHXSSAHAFDW-HZPDHXFCSA-N 1 1 268.445 2.752 50 0 CFAAMO C[C@@H]1C[NH+](Cc2nc(N)c3ccccc3n2)C[C@@H](C)S1 ZINC000096443509 230373917 /nfs/dbraw/zinc/37/39/17/230373917.db2.gz QXELUBYNZFACHN-GHMZBOCLSA-N 1 1 288.420 2.538 50 0 CFAAMO Cn1ccnc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000096455358 230376966 /nfs/dbraw/zinc/37/69/66/230376966.db2.gz PUVHCKORLRQTEC-QGZVFWFLSA-N 1 1 299.418 2.682 50 0 CFAAMO Cn1ccnc1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000096455358 230376967 /nfs/dbraw/zinc/37/69/67/230376967.db2.gz PUVHCKORLRQTEC-QGZVFWFLSA-N 1 1 299.418 2.682 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000096492772 230383123 /nfs/dbraw/zinc/38/31/23/230383123.db2.gz RWYWWJNDTIEUDV-ZDUSSCGKSA-N 1 1 274.389 2.767 50 0 CFAAMO Cn1cc(C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C2CC2)cn1 ZINC000097831162 230387741 /nfs/dbraw/zinc/38/77/41/230387741.db2.gz JIFBUEMSGXNLRT-UHFFFAOYSA-N 1 1 297.362 2.568 50 0 CFAAMO Cn1cc(C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C2CC2)cn1 ZINC000097831162 230387742 /nfs/dbraw/zinc/38/77/42/230387742.db2.gz JIFBUEMSGXNLRT-UHFFFAOYSA-N 1 1 297.362 2.568 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc2ncccc2c1 ZINC000095511794 185001356 /nfs/dbraw/zinc/00/13/56/185001356.db2.gz GKEMPDRXVNCKRX-OAHLLOKOSA-N 1 1 298.390 2.841 50 0 CFAAMO COCc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)o1 ZINC000095982335 185053750 /nfs/dbraw/zinc/05/37/50/185053750.db2.gz OZYCYSTWCXNIEN-UHFFFAOYSA-N 1 1 289.331 2.787 50 0 CFAAMO COCc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)o1 ZINC000095982335 185053751 /nfs/dbraw/zinc/05/37/51/185053751.db2.gz OZYCYSTWCXNIEN-UHFFFAOYSA-N 1 1 289.331 2.787 50 0 CFAAMO C[C@H](O)[C@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002368 185061545 /nfs/dbraw/zinc/06/15/45/185061545.db2.gz NALGQDMSRZWWHE-QWRGUYRKSA-N 1 1 278.377 2.606 50 0 CFAAMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002368 185061547 /nfs/dbraw/zinc/06/15/47/185061547.db2.gz NALGQDMSRZWWHE-QWRGUYRKSA-N 1 1 278.377 2.606 50 0 CFAAMO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)[C@@H]1COc2ccccc21 ZINC000096014149 185066765 /nfs/dbraw/zinc/06/67/65/185066765.db2.gz FBCCLVBEZZINRW-GWCFXTLKSA-N 1 1 285.347 2.601 50 0 CFAAMO CCCN1CCC([NH2+]CCc2ccc(OC)cc2)CC1 ZINC000096876697 185119107 /nfs/dbraw/zinc/11/91/07/185119107.db2.gz KYQRPXTXRILIHQ-UHFFFAOYSA-N 1 1 276.424 2.702 50 0 CFAAMO Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000097015488 185152255 /nfs/dbraw/zinc/15/22/55/185152255.db2.gz UXSSVBDVCUXPRY-INIZCTEOSA-N 1 1 289.354 2.704 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000097033989 185156906 /nfs/dbraw/zinc/15/69/06/185156906.db2.gz DLQIWNAQSVXMJU-KGLIPLIRSA-N 1 1 267.442 2.698 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000069919593 346903889 /nfs/dbraw/zinc/90/38/89/346903889.db2.gz XNOZZVGTRAQFOU-ZDUSSCGKSA-N 1 1 287.363 2.824 50 0 CFAAMO Cc1nnc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)o1 ZINC000223338750 282314736 /nfs/dbraw/zinc/31/47/36/282314736.db2.gz MAIGVERCRXNAAL-UHFFFAOYSA-N 1 1 281.359 2.939 50 0 CFAAMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000075093166 347054237 /nfs/dbraw/zinc/05/42/37/347054237.db2.gz YTXKYKPTAMTDPF-IUODEOHRSA-N 1 1 271.364 2.734 50 0 CFAAMO CNC1=[NH+][C@@H](C(C)(C)C)[C@H](c2ccc(OC)cc2)O1 ZINC000004760180 346209900 /nfs/dbraw/zinc/20/99/00/346209900.db2.gz YJJAYNYGENVPLO-QWHCGFSZSA-N 1 1 262.353 2.757 50 0 CFAAMO COc1ccc2[nH]cc([C@@H](O)C[N@H+]3CCC[C@@H](C)C3)c2c1 ZINC000005164686 346211059 /nfs/dbraw/zinc/21/10/59/346211059.db2.gz NPLPQYZRGWDEBQ-PXAZEXFGSA-N 1 1 288.391 2.942 50 0 CFAAMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCSC1)CC2 ZINC000023283041 346252203 /nfs/dbraw/zinc/25/22/03/346252203.db2.gz KYFQUVCQJFGWCO-ZDUSSCGKSA-N 1 1 279.405 2.567 50 0 CFAAMO CCS[C@H]1CC[C@H]([N@@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071442 347117219 /nfs/dbraw/zinc/11/72/19/347117219.db2.gz MNXXRKRFBYKUSJ-STQMWFEESA-N 1 1 286.485 2.897 50 0 CFAAMO CCc1oc2ccccc2c1C[N@H+]1CC[C@H](CO)C1 ZINC000092763777 347645832 /nfs/dbraw/zinc/64/58/32/347645832.db2.gz CUWLNONUVRPIQQ-LBPRGKRZSA-N 1 1 259.349 2.809 50 0 CFAAMO O=C([C@H]1CCCN(c2cc[nH+]cc2Cl)C1)N1CCCC1 ZINC000095408612 347698343 /nfs/dbraw/zinc/69/83/43/347698343.db2.gz WRAHMQYSVHOSCZ-LBPRGKRZSA-N 1 1 293.798 2.574 50 0 CFAAMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H]2C1 ZINC000095466081 347698509 /nfs/dbraw/zinc/69/85/09/347698509.db2.gz VNHJRPIXLNHDGH-SMDDNHRTSA-N 1 1 293.798 2.898 50 0 CFAAMO CCSCCc1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000096001573 347699683 /nfs/dbraw/zinc/69/96/83/347699683.db2.gz RNMBTGONCZGCLL-SNVBAGLBSA-N 1 1 255.387 2.570 50 0 CFAAMO Cc1cc([C@H]2C[N@@H+](C[C@@H]3CCOC3)CCO2)ccc1F ZINC000095978964 347699787 /nfs/dbraw/zinc/69/97/87/347699787.db2.gz WJUZHVWHEBGVAF-XJKSGUPXSA-N 1 1 279.355 2.544 50 0 CFAAMO C[N@@H+](CCSc1nncs1)Cc1ccc(F)cc1 ZINC000097377148 347709419 /nfs/dbraw/zinc/70/94/19/347709419.db2.gz ORKDERWLWDZPFI-UHFFFAOYSA-N 1 1 283.397 2.901 50 0 CFAAMO CC[C@H](C)[N@H+](Cc1cccn1C)C[C@@H](O)COC(C)(C)C ZINC000169677301 348051734 /nfs/dbraw/zinc/05/17/34/348051734.db2.gz VUTLPXRKTSBDFA-GOEBONIOSA-N 1 1 296.455 2.802 50 0 CFAAMO C[C@@H]([NH2+][C@H]1CCSC1)c1nc(C2CCCC2)no1 ZINC000191589233 348138264 /nfs/dbraw/zinc/13/82/64/348138264.db2.gz HORABHSTMUVKRO-KOLCDFICSA-N 1 1 267.398 2.883 50 0 CFAAMO CC(C)c1nc(CCNC2CC(C)(C)[NH2+]C(C)(C)C2)no1 ZINC000584886232 348727561 /nfs/dbraw/zinc/72/75/61/348727561.db2.gz KBXDHJGPHCHYPD-UHFFFAOYSA-N 1 1 294.443 2.634 50 0 CFAAMO COc1ccc2nc(CC[NH2+][C@@H]3CCCSC3)[nH]c2c1 ZINC000584892302 348728956 /nfs/dbraw/zinc/72/89/56/348728956.db2.gz KODNMFUIIFBOAW-LLVKDONJSA-N 1 1 291.420 2.599 50 0 CFAAMO CC(=O)N1CCC[C@@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000584903990 348733695 /nfs/dbraw/zinc/73/36/95/348733695.db2.gz CCMWADPNAUWWLR-CQSZACIVSA-N 1 1 269.348 2.658 50 0 CFAAMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cnccn1 ZINC000090666951 180020064 /nfs/dbraw/zinc/02/00/64/180020064.db2.gz FIHYEKZTAVKWCH-LSDHHAIUSA-N 1 1 276.428 2.638 50 0 CFAAMO CCN1C[C@H](C[N@@H+](C)C[C@H](C)c2ccccc2)CC1=O ZINC000105112615 186042693 /nfs/dbraw/zinc/04/26/93/186042693.db2.gz LYWFJQXOQYQPTH-GJZGRUSLSA-N 1 1 274.408 2.590 50 0 CFAAMO CC[C@@H](c1ncnn1-c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000091593114 180201289 /nfs/dbraw/zinc/20/12/89/180201289.db2.gz YNDOFWLYHAHGKJ-HNNXBMFYSA-N 1 1 286.379 2.823 50 0 CFAAMO CC[C@H](c1ncnn1-c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000091593116 180201726 /nfs/dbraw/zinc/20/17/26/180201726.db2.gz YNDOFWLYHAHGKJ-OAHLLOKOSA-N 1 1 286.379 2.823 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2cnc(CC3CCCC3)[nH]2)CC[C@]1(C)O ZINC000091951951 180291563 /nfs/dbraw/zinc/29/15/63/180291563.db2.gz GQKAYWIQVVHPTI-DYVFJYSZSA-N 1 1 291.439 2.735 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2c[nH]c(CC3CCCC3)n2)CC[C@]1(C)O ZINC000091951951 180291565 /nfs/dbraw/zinc/29/15/65/180291565.db2.gz GQKAYWIQVVHPTI-DYVFJYSZSA-N 1 1 291.439 2.735 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2c[nH]c(CC3CCCC3)n2)CC[C@]1(C)O ZINC000091951951 180291566 /nfs/dbraw/zinc/29/15/66/180291566.db2.gz GQKAYWIQVVHPTI-DYVFJYSZSA-N 1 1 291.439 2.735 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)s1 ZINC000092016383 180306574 /nfs/dbraw/zinc/30/65/74/180306574.db2.gz ATUNBTGEBFEVCI-OAHLLOKOSA-N 1 1 291.420 2.538 50 0 CFAAMO Cc1ccc(C[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)s1 ZINC000092016383 180306575 /nfs/dbraw/zinc/30/65/75/180306575.db2.gz ATUNBTGEBFEVCI-OAHLLOKOSA-N 1 1 291.420 2.538 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC000092101346 180325387 /nfs/dbraw/zinc/32/53/87/180325387.db2.gz QZFOVHCQDHCICM-QGZVFWFLSA-N 1 1 274.408 2.604 50 0 CFAAMO CN(Cc1ccc(Cl)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253340 180353562 /nfs/dbraw/zinc/35/35/62/180353562.db2.gz GBYPWTPVUZYQJJ-LLVKDONJSA-N 1 1 256.777 2.707 50 0 CFAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000105878741 186082504 /nfs/dbraw/zinc/08/25/04/186082504.db2.gz NLEXLHMLXWWAIQ-HZSPNIEDSA-N 1 1 292.427 2.769 50 0 CFAAMO C[N@@H+](C[C@H](O)c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000108326298 186210565 /nfs/dbraw/zinc/21/05/65/186210565.db2.gz HULHJXZUEGRJGY-STQMWFEESA-N 1 1 271.813 2.811 50 0 CFAAMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000606441106 351270495 /nfs/dbraw/zinc/27/04/95/351270495.db2.gz DWSRFXOTNHZXJG-OPZJBCNKSA-N 1 1 273.376 2.580 50 0 CFAAMO O=C1CCCN1CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000606441008 351270539 /nfs/dbraw/zinc/27/05/39/351270539.db2.gz FLQYHCCYMNXOPI-MQNTZWLQSA-N 1 1 284.403 2.787 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000154900953 188169428 /nfs/dbraw/zinc/16/94/28/188169428.db2.gz VMOJEIAOERJQAA-GFCCVEGCSA-N 1 1 280.368 2.769 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000154900953 188169429 /nfs/dbraw/zinc/16/94/29/188169429.db2.gz VMOJEIAOERJQAA-GFCCVEGCSA-N 1 1 280.368 2.769 50 0 CFAAMO O[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000685939711 540020521 /nfs/dbraw/zinc/02/05/21/540020521.db2.gz FSRNLNFGTHULGV-FHLIZLRMSA-N 1 1 299.418 2.977 50 0 CFAAMO CSc1nc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc(=O)[nH]1 ZINC000685943246 540022357 /nfs/dbraw/zinc/02/23/57/540022357.db2.gz HXJKPUVUMYJXTI-VHSXEESVSA-N 1 1 267.398 2.572 50 0 CFAAMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000170645366 188681103 /nfs/dbraw/zinc/68/11/03/188681103.db2.gz PKSRXSZPWSLZJA-UHFFFAOYSA-N 1 1 290.382 2.774 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](CCc3scnc3C)C2)[nH]n1 ZINC000084111221 540194323 /nfs/dbraw/zinc/19/43/23/540194323.db2.gz ORVYWQAGUQTQDD-CYBMUJFWSA-N 1 1 290.436 2.905 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+](CCc3scnc3C)C2)n[nH]1 ZINC000084111221 540194324 /nfs/dbraw/zinc/19/43/24/540194324.db2.gz ORVYWQAGUQTQDD-CYBMUJFWSA-N 1 1 290.436 2.905 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+](CCc3scnc3C)C2)n[nH]1 ZINC000084111221 540194326 /nfs/dbraw/zinc/19/43/26/540194326.db2.gz ORVYWQAGUQTQDD-CYBMUJFWSA-N 1 1 290.436 2.905 50 0 CFAAMO O=C(C[N@@H+](CCC(F)(F)F)C1CCC1)N1CCCCC1 ZINC000084544085 540200557 /nfs/dbraw/zinc/20/05/57/540200557.db2.gz CWOWVHINZGIJTO-UHFFFAOYSA-N 1 1 292.345 2.806 50 0 CFAAMO O=C(C[N@H+](CCC(F)(F)F)C1CCC1)N1CCCCC1 ZINC000084544085 540200559 /nfs/dbraw/zinc/20/05/59/540200559.db2.gz CWOWVHINZGIJTO-UHFFFAOYSA-N 1 1 292.345 2.806 50 0 CFAAMO c1coc(-c2n[nH]c(C[NH2+]Cc3cccc4[nH]ccc43)n2)c1 ZINC000086277338 540242578 /nfs/dbraw/zinc/24/25/78/540242578.db2.gz METNZZQLOHSAQW-UHFFFAOYSA-N 1 1 293.330 2.836 50 0 CFAAMO CNC(=O)CC[N@@H+](Cc1ccccc1OC)C1CCCC1 ZINC000252500774 283303260 /nfs/dbraw/zinc/30/32/60/283303260.db2.gz TVFMJEMBJFBPNP-UHFFFAOYSA-N 1 1 290.407 2.576 50 0 CFAAMO Cc1ncsc1C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000585089187 540460777 /nfs/dbraw/zinc/46/07/77/540460777.db2.gz POSNIYXAHAFFHS-JTQLQIEISA-N 1 1 276.409 2.835 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](Cc3nc(C)c(C)o3)C2)n[nH]1 ZINC000084111372 540681618 /nfs/dbraw/zinc/68/16/18/540681618.db2.gz MXHXNCKGJMYSAR-ZDUSSCGKSA-N 1 1 274.368 2.703 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](Cc3nc(C)c(C)o3)C2)n[nH]1 ZINC000084111372 540681619 /nfs/dbraw/zinc/68/16/19/540681619.db2.gz MXHXNCKGJMYSAR-ZDUSSCGKSA-N 1 1 274.368 2.703 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](Cc3nc(C)c(C)o3)C2)[nH]n1 ZINC000084111372 540681620 /nfs/dbraw/zinc/68/16/20/540681620.db2.gz MXHXNCKGJMYSAR-ZDUSSCGKSA-N 1 1 274.368 2.703 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](Cc3nc(C)c(C)o3)C2)[nH]n1 ZINC000084111372 540681621 /nfs/dbraw/zinc/68/16/21/540681621.db2.gz MXHXNCKGJMYSAR-ZDUSSCGKSA-N 1 1 274.368 2.703 50 0 CFAAMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000095458188 540725090 /nfs/dbraw/zinc/72/50/90/540725090.db2.gz IEHKRAHSSHKJHF-NEPJUHHUSA-N 1 1 260.341 2.647 50 0 CFAAMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000089929863 540719796 /nfs/dbraw/zinc/71/97/96/540719796.db2.gz UBQBIQAGCWLRGA-CYBMUJFWSA-N 1 1 290.382 2.915 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000252507282 540750564 /nfs/dbraw/zinc/75/05/64/540750564.db2.gz WFYOYBGKKVSUOY-CHWSQXEVSA-N 1 1 284.469 2.509 50 0 CFAAMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000179564654 189202680 /nfs/dbraw/zinc/20/26/80/189202680.db2.gz KJLRQSRRVTXTNY-LBPRGKRZSA-N 1 1 266.348 2.941 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000179564654 189202681 /nfs/dbraw/zinc/20/26/81/189202681.db2.gz KJLRQSRRVTXTNY-LBPRGKRZSA-N 1 1 266.348 2.941 50 0 CFAAMO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000584908314 540935205 /nfs/dbraw/zinc/93/52/05/540935205.db2.gz CDMRKCCDCBYMCX-LBPRGKRZSA-N 1 1 287.329 2.922 50 0 CFAAMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000584908314 540935207 /nfs/dbraw/zinc/93/52/07/540935207.db2.gz CDMRKCCDCBYMCX-LBPRGKRZSA-N 1 1 287.329 2.922 50 0 CFAAMO Cc1ccncc1[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000585087138 540937451 /nfs/dbraw/zinc/93/74/51/540937451.db2.gz CGANIWKJQVYLBK-CQSZACIVSA-N 1 1 299.422 2.726 50 0 CFAAMO Cc1ccncc1[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000585087138 540937455 /nfs/dbraw/zinc/93/74/55/540937455.db2.gz CGANIWKJQVYLBK-CQSZACIVSA-N 1 1 299.422 2.726 50 0 CFAAMO Nc1cc(C[N@H+]2CCC=C(c3ccccc3)C2)ccn1 ZINC000328586707 540975626 /nfs/dbraw/zinc/97/56/26/540975626.db2.gz CKJDVDSUFSXUSZ-UHFFFAOYSA-N 1 1 265.360 2.783 50 0 CFAAMO Cc1ccc(-n2ncnc2C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000670439309 540994384 /nfs/dbraw/zinc/99/43/84/540994384.db2.gz SRELJGORUIKMCB-OAHLLOKOSA-N 1 1 270.380 2.603 50 0 CFAAMO Cc1nncn1CC[N@H+](C)C[C@@]1(c2ccccc2)CC1(C)C ZINC000670443607 540996551 /nfs/dbraw/zinc/99/65/51/540996551.db2.gz ZMONLTJTTAMZII-GOSISDBHSA-N 1 1 298.434 2.886 50 0 CFAAMO C[N@@H+](Cc1ccc(C(F)(F)F)nc1)CC1(C)COC1 ZINC000670459202 541002585 /nfs/dbraw/zinc/00/25/85/541002585.db2.gz LEFHHGIMFMWRMY-UHFFFAOYSA-N 1 1 274.286 2.569 50 0 CFAAMO C[N@H+]1CCC[C@@H](CCc2ncnn2-c2cccc(F)c2)C1 ZINC000670450675 540998954 /nfs/dbraw/zinc/99/89/54/540998954.db2.gz XXQMMYXFXRQDCK-ZDUSSCGKSA-N 1 1 288.370 2.681 50 0 CFAAMO COCC1(CNC(=O)[C@H](C)[N@@H+](C)C2CCCCC2)CCC1 ZINC000670456706 541001480 /nfs/dbraw/zinc/00/14/80/541001480.db2.gz HSSJQWRVROOEDR-AWEZNQCLSA-N 1 1 296.455 2.572 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000670461839 541004290 /nfs/dbraw/zinc/00/42/90/541004290.db2.gz KBIHQTZPWGBSJJ-CQSZACIVSA-N 1 1 290.436 2.869 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CCC[C@H](Cn2ccnc2C)C1 ZINC000670461833 541004399 /nfs/dbraw/zinc/00/43/99/541004399.db2.gz KBIHQTZPWGBSJJ-AWEZNQCLSA-N 1 1 290.436 2.869 50 0 CFAAMO CCOc1ccc2ccccc2c1C[N@@H+]1CCCNC(=O)C1 ZINC000670472095 541010489 /nfs/dbraw/zinc/01/04/89/541010489.db2.gz DCUIRUOIAUNNGM-UHFFFAOYSA-N 1 1 298.386 2.560 50 0 CFAAMO CCOc1ccc2ccccc2c1C[N@H+]1CCCNC(=O)C1 ZINC000670472095 541010491 /nfs/dbraw/zinc/01/04/91/541010491.db2.gz DCUIRUOIAUNNGM-UHFFFAOYSA-N 1 1 298.386 2.560 50 0 CFAAMO Cc1nc2ccc(C[NH2+][C@H](C)CCn3cccn3)cc2[nH]1 ZINC000670473361 541011642 /nfs/dbraw/zinc/01/16/42/541011642.db2.gz TZQGJXXCWXKCGS-GFCCVEGCSA-N 1 1 283.379 2.636 50 0 CFAAMO C[C@@H](c1cnccn1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000184415532 189385902 /nfs/dbraw/zinc/38/59/02/189385902.db2.gz HZNNPPJQYVIJOM-INIZCTEOSA-N 1 1 296.418 2.746 50 0 CFAAMO COc1cc(F)c(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c(F)c1 ZINC000216166840 189701088 /nfs/dbraw/zinc/70/10/88/189701088.db2.gz PJPIIBOCQZTLLU-NSHDSACASA-N 1 1 299.361 2.956 50 0 CFAAMO COc1cc(F)c(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c(F)c1 ZINC000216166840 189701089 /nfs/dbraw/zinc/70/10/89/189701089.db2.gz PJPIIBOCQZTLLU-NSHDSACASA-N 1 1 299.361 2.956 50 0 CFAAMO Cc1cc(C[N@@H+]2Cc3ccccc3N(C)C[C@H]2C)on1 ZINC000267614321 541596558 /nfs/dbraw/zinc/59/65/58/541596558.db2.gz OUKNNVCCORMKBL-CYBMUJFWSA-N 1 1 271.364 2.824 50 0 CFAAMO C1=C(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CCCC1 ZINC000450402664 242399632 /nfs/dbraw/zinc/39/96/32/242399632.db2.gz KXZAIFQVIRMQQD-QGZVFWFLSA-N 1 1 278.440 2.531 50 0 CFAAMO NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000000042043 371515389 /nfs/dbraw/zinc/51/53/89/371515389.db2.gz MYJWCSDOIIKYPI-UHFFFAOYSA-N 1 1 287.190 2.691 50 0 CFAAMO C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000000098212 371529744 /nfs/dbraw/zinc/52/97/44/371529744.db2.gz TVRFABREAYQAQA-PKOBYXMFSA-N 1 1 295.382 2.709 50 0 CFAAMO CCOC(=O)c1c(C)nc2c([C@H]3CCC[N@H+]3C)cccn21 ZINC000000134533 371540430 /nfs/dbraw/zinc/54/04/30/371540430.db2.gz AVXVXRXGZMJEJY-CYBMUJFWSA-N 1 1 287.363 2.586 50 0 CFAAMO CSc1cccc(NC(=O)C[NH+]2CCCCC2)c1 ZINC000000145945 371541984 /nfs/dbraw/zinc/54/19/84/371541984.db2.gz CKXMWRXQGSFQJM-UHFFFAOYSA-N 1 1 264.394 2.833 50 0 CFAAMO COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CO ZINC000000212724 371559719 /nfs/dbraw/zinc/55/97/19/371559719.db2.gz LATGVFKWEFJIKK-AWEZNQCLSA-N 1 1 271.360 2.805 50 0 CFAAMO c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000241798 371566377 /nfs/dbraw/zinc/56/63/77/371566377.db2.gz ZKSRSKFDFAONDA-UHFFFAOYSA-N 1 1 296.370 2.738 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000000294397 371579986 /nfs/dbraw/zinc/57/99/86/371579986.db2.gz NJTNWIURFFHANU-OAHLLOKOSA-N 1 1 261.365 2.770 50 0 CFAAMO O=C(C[NH+]1CCCC1)Nc1ccc(F)c(Cl)c1 ZINC000001338365 371667197 /nfs/dbraw/zinc/66/71/97/371667197.db2.gz MJDKCWNGZSARAX-UHFFFAOYSA-N 1 1 256.708 2.513 50 0 CFAAMO O=C(C[N@H+]1CCCC[C@H]1CCO)c1c[nH]c2ccccc12 ZINC000000485854 371628433 /nfs/dbraw/zinc/62/84/33/371628433.db2.gz CSRUGURZOBJCFQ-ZDUSSCGKSA-N 1 1 286.375 2.588 50 0 CFAAMO O=C(C[N@@H+]1CCCC[C@H]1CCO)c1c[nH]c2ccccc12 ZINC000000485854 371628449 /nfs/dbraw/zinc/62/84/49/371628449.db2.gz CSRUGURZOBJCFQ-ZDUSSCGKSA-N 1 1 286.375 2.588 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1 ZINC000000806687 371651006 /nfs/dbraw/zinc/65/10/06/371651006.db2.gz SNERFWSYHDYSKC-NSHDSACASA-N 1 1 250.317 2.639 50 0 CFAAMO CCCC[N@@H+](C)CCC(=O)Nc1ccccc1OC ZINC000002784678 371754132 /nfs/dbraw/zinc/75/41/32/371754132.db2.gz SBCHPPQWPRGNCZ-UHFFFAOYSA-N 1 1 264.369 2.756 50 0 CFAAMO Cc1ccccc1CN1CC[N@H+](C2CCC2)CCC1=O ZINC000011910895 371936020 /nfs/dbraw/zinc/93/60/20/371936020.db2.gz FLUJNCJFRHLMEQ-UHFFFAOYSA-N 1 1 272.392 2.582 50 0 CFAAMO C[C@@H]1C[C@@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)[N@H+]1C ZINC000011680101 371925615 /nfs/dbraw/zinc/92/56/15/371925615.db2.gz QSAVEGSLJISCDF-YUELXQCFSA-N 1 1 291.391 2.525 50 0 in-man CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000011847292 371931163 /nfs/dbraw/zinc/93/11/63/371931163.db2.gz MELSFIGZWVYXNU-GDBMZVCRSA-N 1 1 277.408 2.775 50 0 CFAAMO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000011879367 371933770 /nfs/dbraw/zinc/93/37/70/371933770.db2.gz ALCNIPUIUOWWPW-OAHLLOKOSA-N 1 1 289.419 2.871 50 0 CFAAMO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+]1CCC[C@H](O)C1 ZINC000012590152 371978005 /nfs/dbraw/zinc/97/80/05/371978005.db2.gz FMOJTMPMAZTHLQ-AWEZNQCLSA-N 1 1 290.338 2.746 50 0 CFAAMO Cc1oc(-c2ccc(F)cc2)nc1C[N@H+]1CCC[C@H](O)C1 ZINC000012590152 371978010 /nfs/dbraw/zinc/97/80/10/371978010.db2.gz FMOJTMPMAZTHLQ-AWEZNQCLSA-N 1 1 290.338 2.746 50 0 CFAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](CC2CCCC2)C1 ZINC000012703613 371980475 /nfs/dbraw/zinc/98/04/75/371980475.db2.gz AIBXUOHFGCOFAN-KRWDZBQOSA-N 1 1 297.439 2.858 50 0 CFAAMO Cn1cnn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000012819942 371989463 /nfs/dbraw/zinc/98/94/63/371989463.db2.gz KISGCTXMFQNNEP-CQSZACIVSA-N 1 1 288.420 2.616 50 0 CFAAMO Cn1cnn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000012819942 371989467 /nfs/dbraw/zinc/98/94/67/371989467.db2.gz KISGCTXMFQNNEP-CQSZACIVSA-N 1 1 288.420 2.616 50 0 CFAAMO O=C1CC[N@@H+](Cc2ccoc2)CCN1CC1CCCCC1 ZINC000012245227 371950192 /nfs/dbraw/zinc/95/01/92/371950192.db2.gz HGZLYSCAPJVHIF-UHFFFAOYSA-N 1 1 290.407 2.894 50 0 CFAAMO C[C@H]1CCC[N@H+](Cn2c3ccc(Cl)cc3oc2=O)C1 ZINC000014112448 372060808 /nfs/dbraw/zinc/06/08/08/372060808.db2.gz RUJNZJGVDILDLU-JTQLQIEISA-N 1 1 280.755 2.937 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cn2c3ccc(Cl)cc3oc2=O)C1 ZINC000014112448 372060812 /nfs/dbraw/zinc/06/08/12/372060812.db2.gz RUJNZJGVDILDLU-JTQLQIEISA-N 1 1 280.755 2.937 50 0 CFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccoc1 ZINC000013011187 372010768 /nfs/dbraw/zinc/01/07/68/372010768.db2.gz QNICIKSXLYSNNF-AWEZNQCLSA-N 1 1 288.347 2.830 50 0 CFAAMO Cc1ccc2nc(C[N@H+](C)Cc3cccs3)cc(=O)n2c1 ZINC000016586737 372112057 /nfs/dbraw/zinc/11/20/57/372112057.db2.gz SNXDJOAWWYJJAX-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO Cc1ccc2nc(C[N@@H+](C)Cc3cccs3)cc(=O)n2c1 ZINC000016586737 372112060 /nfs/dbraw/zinc/11/20/60/372112060.db2.gz SNXDJOAWWYJJAX-UHFFFAOYSA-N 1 1 299.399 2.696 50 0 CFAAMO CC(C)(C)CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016604512 372113337 /nfs/dbraw/zinc/11/33/37/372113337.db2.gz GAHKLGQGPHALCJ-UHFFFAOYSA-N 1 1 288.435 2.810 50 0 CFAAMO Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(F)cc2)o1 ZINC000014200847 372063899 /nfs/dbraw/zinc/06/38/99/372063899.db2.gz CMKUDJDCCPOTJL-AWEZNQCLSA-N 1 1 293.338 2.599 50 0 CFAAMO c1cnn(CCC[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000015071214 372078454 /nfs/dbraw/zinc/07/84/54/372078454.db2.gz VPKKREYOYBSJGW-KRWDZBQOSA-N 1 1 284.407 2.850 50 0 CFAAMO Cc1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCCC2)o1 ZINC000015860235 372094025 /nfs/dbraw/zinc/09/40/25/372094025.db2.gz DXEOAQTZPSYMID-CYBMUJFWSA-N 1 1 288.347 2.748 50 0 CFAAMO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000019339732 372156551 /nfs/dbraw/zinc/15/65/51/372156551.db2.gz CEUHWYAQJMJVOF-QGZVFWFLSA-N 1 1 258.409 2.993 50 0 CFAAMO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC2CC2)C1 ZINC000019339732 372156554 /nfs/dbraw/zinc/15/65/54/372156554.db2.gz CEUHWYAQJMJVOF-QGZVFWFLSA-N 1 1 258.409 2.993 50 0 CFAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC2CC2)C1 ZINC000019339732 372156556 /nfs/dbraw/zinc/15/65/56/372156556.db2.gz CEUHWYAQJMJVOF-QGZVFWFLSA-N 1 1 258.409 2.993 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000019733184 372182368 /nfs/dbraw/zinc/18/23/68/372182368.db2.gz ADHUQDYAHQDLPE-OAHLLOKOSA-N 1 1 299.374 2.576 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000019733184 372182372 /nfs/dbraw/zinc/18/23/72/372182372.db2.gz ADHUQDYAHQDLPE-OAHLLOKOSA-N 1 1 299.374 2.576 50 0 CFAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000019733184 372182378 /nfs/dbraw/zinc/18/23/78/372182378.db2.gz ADHUQDYAHQDLPE-OAHLLOKOSA-N 1 1 299.374 2.576 50 0 CFAAMO C[C@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020118685 372232781 /nfs/dbraw/zinc/23/27/81/372232781.db2.gz UCRCOSPLMJUXIB-RYUDHWBXSA-N 1 1 269.772 2.828 50 0 CFAAMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2ccco2)CC1 ZINC000020109522 372232884 /nfs/dbraw/zinc/23/28/84/372232884.db2.gz BKUFZPBZWBUPJS-UHFFFAOYSA-N 1 1 287.363 2.727 50 0 CFAAMO OCC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC000023114865 372252664 /nfs/dbraw/zinc/25/26/64/372252664.db2.gz IAKDYHYTSCPNSC-CYBMUJFWSA-N 1 1 255.308 2.702 50 0 CFAAMO COc1cc2c(cc1O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]2O ZINC000024717712 372279510 /nfs/dbraw/zinc/27/95/10/372279510.db2.gz QVZIJKZJCCSTJP-DOTOQJQBSA-N 1 1 299.370 2.663 50 0 CFAAMO C[C@@H](CNC(=O)C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000025633599 372304845 /nfs/dbraw/zinc/30/48/45/372304845.db2.gz GQFSEPALNJRDRS-AWEZNQCLSA-N 1 1 286.419 2.740 50 0 CFAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000025949809 372309967 /nfs/dbraw/zinc/30/99/67/372309967.db2.gz ZIZGAGKXFZKNOH-QGZVFWFLSA-N 1 1 295.386 2.727 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H](C)C(C)(C)C)nc12 ZINC000027134847 372334537 /nfs/dbraw/zinc/33/45/37/372334537.db2.gz YONKYZCDYQDJJR-ZDUSSCGKSA-N 1 1 287.407 2.869 50 0 CFAAMO CC[C@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000029672438 372384650 /nfs/dbraw/zinc/38/46/50/372384650.db2.gz ROVNIPALHJLWJK-ZDUSSCGKSA-N 1 1 285.391 2.902 50 0 CFAAMO Cc1cccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000030363143 372392488 /nfs/dbraw/zinc/39/24/88/372392488.db2.gz SSPOLBZYEUMPOX-UHFFFAOYSA-N 1 1 294.398 2.783 50 0 CFAAMO C[C@H](CNCc1c[nH]nc1-c1cccs1)[NH+]1CCCC1 ZINC000030902896 372401195 /nfs/dbraw/zinc/40/11/95/372401195.db2.gz WLUXHZCTMJCKFG-GFCCVEGCSA-N 1 1 290.436 2.712 50 0 CFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)C1CCCCC1 ZINC000031337959 372409118 /nfs/dbraw/zinc/40/91/18/372409118.db2.gz UASBHKKHLDKFLQ-UHFFFAOYSA-N 1 1 286.419 2.741 50 0 CFAAMO CCOCc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000028386612 372364796 /nfs/dbraw/zinc/36/47/96/372364796.db2.gz IKNGTTFDBGOXAW-QGZVFWFLSA-N 1 1 298.386 2.539 50 0 CFAAMO Cc1ccc2c(=O)n(CC[C@@H]3CCCC[N@@H+]3C)cnc2c1C ZINC000032590439 372447977 /nfs/dbraw/zinc/44/79/77/372447977.db2.gz LCLFVXVAFCNWPS-HNNXBMFYSA-N 1 1 299.418 2.888 50 0 CFAAMO Cc1cc(N(C)Cc2nc3ccccc3[nH]2)nc(C)[nH+]1 ZINC000032824978 372465780 /nfs/dbraw/zinc/46/57/80/372465780.db2.gz YLISBWGMGOIGEK-UHFFFAOYSA-N 1 1 267.336 2.606 50 0 CFAAMO Brc1cccc(C[NH+]2CCCCC2)n1 ZINC000034154632 372503836 /nfs/dbraw/zinc/50/38/36/372503836.db2.gz DZAYAYNJQNKVQF-UHFFFAOYSA-N 1 1 255.159 2.830 50 0 CFAAMO CC(=O)NCCCNc1[nH+]c2ccccc2n1CC(C)C ZINC000034906830 372516881 /nfs/dbraw/zinc/51/68/81/372516881.db2.gz XIZSVZLLCPKCQF-UHFFFAOYSA-N 1 1 288.395 2.630 50 0 CFAAMO CC[C@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036095645 372557818 /nfs/dbraw/zinc/55/78/18/372557818.db2.gz ZSWCZBFZDGRFOZ-HNNXBMFYSA-N 1 1 295.423 2.933 50 0 CFAAMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC(C)C)cc1 ZINC000036391955 372576972 /nfs/dbraw/zinc/57/69/72/372576972.db2.gz DWPIGDHBSUDHDS-OAHLLOKOSA-N 1 1 260.381 2.657 50 0 CFAAMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c[nH]nc2C)c1 ZINC000037893451 372731362 /nfs/dbraw/zinc/73/13/62/372731362.db2.gz PLEHHMUSXJQZAY-LLVKDONJSA-N 1 1 275.352 2.586 50 0 CFAAMO Cn1ccc(C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1=O ZINC000042112390 372874035 /nfs/dbraw/zinc/87/40/35/372874035.db2.gz NOCPDINMNJZVCU-KRWDZBQOSA-N 1 1 282.387 2.895 50 0 CFAAMO OCC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000042270331 372898292 /nfs/dbraw/zinc/89/82/92/372898292.db2.gz ONSAAMSQPPPJKM-UHFFFAOYSA-N 1 1 284.197 2.653 50 0 CFAAMO CSCC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000244584365 189907404 /nfs/dbraw/zinc/90/74/04/189907404.db2.gz CXZPVRJPMGVKMW-UHFFFAOYSA-N 1 1 292.448 2.724 50 0 CFAAMO NC(=O)c1cccc(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000047461727 373096194 /nfs/dbraw/zinc/09/61/94/373096194.db2.gz WMEGRPRWQQRFQJ-UHFFFAOYSA-N 1 1 280.371 2.950 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@H+]1CCOc1ccccc1 ZINC000048355910 373169952 /nfs/dbraw/zinc/16/99/52/373169952.db2.gz YXKBRARBOZTCTK-CQSZACIVSA-N 1 1 256.349 2.944 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1CCOc1ccccc1 ZINC000048355910 373169959 /nfs/dbraw/zinc/16/99/59/373169959.db2.gz YXKBRARBOZTCTK-CQSZACIVSA-N 1 1 256.349 2.944 50 0 CFAAMO Cc1noc(C)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047971450 373134613 /nfs/dbraw/zinc/13/46/13/373134613.db2.gz BDBFYXDHDNBJKI-UHFFFAOYSA-N 1 1 277.412 2.599 50 0 CFAAMO CCCC[N@H+]1CCC[C@H](Cn2cc(CCC)nn2)C1 ZINC000048112454 373146548 /nfs/dbraw/zinc/14/65/48/373146548.db2.gz KPJDIXADNBWCHK-AWEZNQCLSA-N 1 1 264.417 2.743 50 0 CFAAMO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048614553 373208306 /nfs/dbraw/zinc/20/83/06/373208306.db2.gz VFLYNYHINWGPMG-QLFBSQMISA-N 1 1 266.429 2.611 50 0 CFAAMO OC[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000050113992 373353764 /nfs/dbraw/zinc/35/37/64/373353764.db2.gz XDQMANRUMJGUFC-LLVKDONJSA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1F ZINC000050113992 373353779 /nfs/dbraw/zinc/35/37/79/373353779.db2.gz XDQMANRUMJGUFC-LLVKDONJSA-N 1 1 288.160 2.545 50 0 CFAAMO C[N@@H+](Cc1nc(-c2cccnc2)no1)C(C1CC1)C1CC1 ZINC000051558042 373401365 /nfs/dbraw/zinc/40/13/65/373401365.db2.gz LTMAHFZDWMCRAV-UHFFFAOYSA-N 1 1 284.363 2.752 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000052875229 373453330 /nfs/dbraw/zinc/45/33/30/373453330.db2.gz VBMRUUQOQDJNOY-UHFFFAOYSA-N 1 1 289.423 2.956 50 0 CFAAMO Cc1cccc(C2(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000053055451 373462951 /nfs/dbraw/zinc/46/29/51/373462951.db2.gz YBMDOAUFRURFGB-IAGOWNOFSA-N 1 1 298.430 2.770 50 0 CFAAMO CC[C@@H](CO)[N@@H+](CCc1ccccc1)Cc1ccccn1 ZINC000055071647 373540293 /nfs/dbraw/zinc/54/02/93/373540293.db2.gz DIRBIDHGGXCCAH-SFHVURJKSA-N 1 1 284.403 2.897 50 0 CFAAMO CC[NH+](/C=C/c1nnnn1-c1ccc(Cl)cc1)CC ZINC000055135615 373541269 /nfs/dbraw/zinc/54/12/69/373541269.db2.gz CQVRSWPOPUBPOP-MDZDMXLPSA-N 1 1 277.759 2.628 50 0 CFAAMO CCCSc1ncc(CNCC[C@H]2CCC[N@H+]2C)cn1 ZINC000055153016 373544003 /nfs/dbraw/zinc/54/40/03/373544003.db2.gz OYFZRRUBFMSANE-CQSZACIVSA-N 1 1 294.468 2.553 50 0 CFAAMO CC[C@@H](CO)[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000055360188 373548617 /nfs/dbraw/zinc/54/86/17/373548617.db2.gz KWYKSTHJGPIJHR-SFHVURJKSA-N 1 1 284.403 2.897 50 0 CFAAMO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(CO)o1 ZINC000055413643 373551840 /nfs/dbraw/zinc/55/18/40/373551840.db2.gz DZRSCJSDLFICRG-CYBMUJFWSA-N 1 1 295.404 2.607 50 0 CFAAMO CC[C@H](CO)[N@@H+](Cc1[nH]cnc1C)Cc1ccccc1C ZINC000055412979 373552480 /nfs/dbraw/zinc/55/24/80/373552480.db2.gz HJIPCIVFAUVIKE-MRXNPFEDSA-N 1 1 287.407 2.800 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCCCC1 ZINC000055506060 373556103 /nfs/dbraw/zinc/55/61/03/373556103.db2.gz WPYMWIUUFRENQV-INIZCTEOSA-N 1 1 290.382 2.975 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCCCC1 ZINC000055506060 373556105 /nfs/dbraw/zinc/55/61/05/373556105.db2.gz WPYMWIUUFRENQV-INIZCTEOSA-N 1 1 290.382 2.975 50 0 CFAAMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2nccn2C)c1 ZINC000058166272 373630103 /nfs/dbraw/zinc/63/01/03/373630103.db2.gz QYSOZZWCGSSYQN-OAHLLOKOSA-N 1 1 285.391 2.636 50 0 CFAAMO CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058282535 373640341 /nfs/dbraw/zinc/64/03/41/373640341.db2.gz SHOVJMYDSPCPJM-HNNXBMFYSA-N 1 1 260.381 2.567 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)CCc2cccs2)cc1 ZINC000058283365 373640948 /nfs/dbraw/zinc/64/09/48/373640948.db2.gz KTNWKSSQNIDZHX-UHFFFAOYSA-N 1 1 288.416 2.782 50 0 CFAAMO CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000061193578 373713736 /nfs/dbraw/zinc/71/37/36/373713736.db2.gz NGFBXLNPNZGBOF-UHFFFAOYSA-N 1 1 250.317 2.639 50 0 CFAAMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccccn1)CC2 ZINC000060474119 373697793 /nfs/dbraw/zinc/69/77/93/373697793.db2.gz RTBCTDBLTZNGTC-UHFFFAOYSA-N 1 1 298.386 2.700 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc(-c2ccccc2C)no1 ZINC000064542873 373826378 /nfs/dbraw/zinc/82/63/78/373826378.db2.gz PZRCYOGXHOSOHN-UHFFFAOYSA-N 1 1 254.293 2.598 50 0 CFAAMO CNc1cc[nH+]c(NCc2ccc(-n3ccnc3C)cc2)n1 ZINC000065506857 373880154 /nfs/dbraw/zinc/88/01/54/373880154.db2.gz KZJHEIMNOFCSJN-UHFFFAOYSA-N 1 1 294.362 2.625 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000065522963 373881762 /nfs/dbraw/zinc/88/17/62/373881762.db2.gz SEBFOJGFKLCDEP-SXSDINLZSA-N 1 1 286.419 2.936 50 0 CFAAMO Cc1ccnc(NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)c1 ZINC000065512357 373882508 /nfs/dbraw/zinc/88/25/08/373882508.db2.gz WEUHTPRKJWJTJB-MRXNPFEDSA-N 1 1 282.391 2.719 50 0 CFAAMO CCc1[nH+]ccn1-c1ccc2[nH]c(C)cc(=O)c2c1 ZINC000065535900 373885739 /nfs/dbraw/zinc/88/57/39/373885739.db2.gz YGAFMCYQHWMKSB-UHFFFAOYSA-N 1 1 253.305 2.585 50 0 CFAAMO Cc1nc(C2CC[NH+](Cc3cccs3)CC2)n[nH]1 ZINC000065287290 373852453 /nfs/dbraw/zinc/85/24/53/373852453.db2.gz CYEIDIMSNHPOBJ-UHFFFAOYSA-N 1 1 262.382 2.554 50 0 CFAAMO Cc1nnc(C2CC[NH+](Cc3cccs3)CC2)[nH]1 ZINC000065287290 373852457 /nfs/dbraw/zinc/85/24/57/373852457.db2.gz CYEIDIMSNHPOBJ-UHFFFAOYSA-N 1 1 262.382 2.554 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000065286706 373852538 /nfs/dbraw/zinc/85/25/38/373852538.db2.gz COJFNBIVIKXDRG-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)s1 ZINC000065286706 373852541 /nfs/dbraw/zinc/85/25/41/373852541.db2.gz COJFNBIVIKXDRG-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)s1 ZINC000065286706 373852544 /nfs/dbraw/zinc/85/25/44/373852544.db2.gz COJFNBIVIKXDRG-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000065286706 373852547 /nfs/dbraw/zinc/85/25/47/373852547.db2.gz COJFNBIVIKXDRG-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000065286706 373852551 /nfs/dbraw/zinc/85/25/51/373852551.db2.gz COJFNBIVIKXDRG-LBPRGKRZSA-N 1 1 276.409 2.863 50 0 CFAAMO COc1ccc([C@H](C)[N@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000065371465 373858491 /nfs/dbraw/zinc/85/84/91/373858491.db2.gz BSAIWUZRUAUQOA-LBPRGKRZSA-N 1 1 259.353 2.920 50 0 CFAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000065371465 373858498 /nfs/dbraw/zinc/85/84/98/373858498.db2.gz BSAIWUZRUAUQOA-LBPRGKRZSA-N 1 1 259.353 2.920 50 0 CFAAMO Cc1nc([C@@H]2CCC[N@H+](C)C2)n(-c2cccc(F)c2)n1 ZINC000065380708 373861048 /nfs/dbraw/zinc/86/10/48/373861048.db2.gz STNLELBYSAKUSD-GFCCVEGCSA-N 1 1 274.343 2.524 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)N(C)C)cc1C ZINC000065404038 373866466 /nfs/dbraw/zinc/86/64/66/373866466.db2.gz QTWVZMPPZSJBPH-AWEZNQCLSA-N 1 1 262.397 2.520 50 0 CFAAMO CCc1cnc(C)nc1N(C)C[C@H]1CC[N@H+](C(C)C)C1 ZINC000065406810 373868806 /nfs/dbraw/zinc/86/88/06/373868806.db2.gz VWXFDTIFQXBQOX-CQSZACIVSA-N 1 1 276.428 2.514 50 0 CFAAMO COc1c(C)cnc(CN(C)c2[nH+]cnc3[nH]ccc32)c1C ZINC000065422586 373869090 /nfs/dbraw/zinc/86/90/90/373869090.db2.gz ZYMQBNXIIHYNME-UHFFFAOYSA-N 1 1 297.362 2.615 50 0 CFAAMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc3sccc3[nH]2)C1 ZINC000067785394 374001969 /nfs/dbraw/zinc/00/19/69/374001969.db2.gz VKFRNMOEKYYDAG-LLVKDONJSA-N 1 1 291.420 2.691 50 0 CFAAMO CCCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067783658 374002684 /nfs/dbraw/zinc/00/26/84/374002684.db2.gz OPPYCYCTGWSONI-AWEZNQCLSA-N 1 1 290.407 2.547 50 0 CFAAMO Cc1ccc(-c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)o2)cc1 ZINC000067885187 374012180 /nfs/dbraw/zinc/01/21/80/374012180.db2.gz MUMZJRDBUNKYCR-CQSZACIVSA-N 1 1 298.386 2.937 50 0 CFAAMO c1cc(-c2noc3c2C[N@@H+](CC2CC2)CC3)cc2c1OCO2 ZINC000067920637 374016221 /nfs/dbraw/zinc/01/62/21/374016221.db2.gz SPBPCHQJTFPHCP-UHFFFAOYSA-N 1 1 298.342 2.838 50 0 CFAAMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000067983036 374020070 /nfs/dbraw/zinc/02/00/70/374020070.db2.gz QMIMYVAKGDNFMH-OAHLLOKOSA-N 1 1 278.440 2.805 50 0 CFAAMO C[N@@H+](CCC1(O)CCCC1)Cc1ccc(-n2ccnc2)cc1 ZINC000067983037 374020400 /nfs/dbraw/zinc/02/04/00/374020400.db2.gz QZBSETDSLOSAMX-UHFFFAOYSA-N 1 1 299.418 2.999 50 0 CFAAMO CCOCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000067231169 373973637 /nfs/dbraw/zinc/97/36/37/373973637.db2.gz LSJYDGDEDWGJMD-AWEZNQCLSA-N 1 1 277.364 2.631 50 0 CFAAMO C=Cc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000067690570 373992186 /nfs/dbraw/zinc/99/21/86/373992186.db2.gz CLEZHQATEZTUMV-HNNXBMFYSA-N 1 1 272.392 2.791 50 0 CFAAMO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000069629595 374080653 /nfs/dbraw/zinc/08/06/53/374080653.db2.gz MVQPFYDZQQBHMD-RISCZKNCSA-N 1 1 290.363 2.978 50 0 CFAAMO CC[NH2+][C@@H]1C(=O)Nc2ccccc2N=C1c1ccccc1 ZINC000068566327 374034761 /nfs/dbraw/zinc/03/47/61/374034761.db2.gz YHOGOJIWCCURBM-INIZCTEOSA-N 1 1 279.343 2.738 50 0 CFAAMO COc1cccc(C[N@H+]2CCC[C@H]2Cn2cccn2)c1 ZINC000069629900 374080761 /nfs/dbraw/zinc/08/07/61/374080761.db2.gz BTVPTPOERREMAG-HNNXBMFYSA-N 1 1 271.364 2.556 50 0 CFAAMO CS[C@H](C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069632994 374080901 /nfs/dbraw/zinc/08/09/01/374080901.db2.gz KBUJMPVQBSTYGX-TZMCWYRMSA-N 1 1 279.405 2.556 50 0 CFAAMO Clc1ccccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000069420188 374062492 /nfs/dbraw/zinc/06/24/92/374062492.db2.gz NCOGKCXHTUOPRN-CYBMUJFWSA-N 1 1 281.783 2.925 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)o1 ZINC000069455518 374065450 /nfs/dbraw/zinc/06/54/50/374065450.db2.gz RCZGJLQXXAMNCH-KBPBESRZSA-N 1 1 276.380 2.541 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000069491723 374068605 /nfs/dbraw/zinc/06/86/05/374068605.db2.gz MDALECPGBHVTDH-OLZOCXBDSA-N 1 1 293.436 2.540 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000069530537 374072973 /nfs/dbraw/zinc/07/29/73/374072973.db2.gz XTABLQRJHUKUMH-CQSZACIVSA-N 1 1 292.398 2.874 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2CCc2ccncc2)n1 ZINC000069920706 374109686 /nfs/dbraw/zinc/10/96/86/374109686.db2.gz WJZMXNMLQARXMN-QGZVFWFLSA-N 1 1 284.407 2.602 50 0 CFAAMO Cc1csc(N2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000069950975 374112041 /nfs/dbraw/zinc/11/20/41/374112041.db2.gz PBTMFPLVVFLVJN-ZDUSSCGKSA-N 1 1 288.420 2.557 50 0 CFAAMO Cc1csc(N2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000069950975 374112052 /nfs/dbraw/zinc/11/20/52/374112052.db2.gz PBTMFPLVVFLVJN-ZDUSSCGKSA-N 1 1 288.420 2.557 50 0 CFAAMO CCOCCN1CC[N@@H+](CCc2cccs2)C[C@H]1CC ZINC000070008498 374114859 /nfs/dbraw/zinc/11/48/59/374114859.db2.gz FSOOLDVSJWOUIP-OAHLLOKOSA-N 1 1 296.480 2.723 50 0 CFAAMO CCOCC[N@@H+]1CCN(CCc2cccs2)C[C@H]1CC ZINC000070008498 374114865 /nfs/dbraw/zinc/11/48/65/374114865.db2.gz FSOOLDVSJWOUIP-OAHLLOKOSA-N 1 1 296.480 2.723 50 0 CFAAMO CCOCC[N@H+]1CCN(CCc2cccs2)C[C@H]1CC ZINC000070008498 374114873 /nfs/dbraw/zinc/11/48/73/374114873.db2.gz FSOOLDVSJWOUIP-OAHLLOKOSA-N 1 1 296.480 2.723 50 0 CFAAMO Cc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069667698 374084998 /nfs/dbraw/zinc/08/49/98/374084998.db2.gz IOVKTXOJMHETEC-QWHCGFSZSA-N 1 1 278.421 2.755 50 0 CFAAMO Cc1ncc(C[N@H+]2CCCC[C@H]2Cn2cccn2)s1 ZINC000069744012 374094027 /nfs/dbraw/zinc/09/40/27/374094027.db2.gz ANXUBOMBFNHWJG-ZDUSSCGKSA-N 1 1 276.409 2.703 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(F)cc1CNC(=O)C(C)C ZINC000069812312 374100919 /nfs/dbraw/zinc/10/09/19/374100919.db2.gz NZBOYTYAIFHRRN-UHFFFAOYSA-N 1 1 275.327 2.592 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000069817254 374103273 /nfs/dbraw/zinc/10/32/73/374103273.db2.gz LXGNMUJGSBKDCS-UHFFFAOYSA-N 1 1 285.391 2.644 50 0 CFAAMO CCOCCN1CC[N@@H+](CC2CCCC2)C[C@@H]1CC ZINC000069844742 374104482 /nfs/dbraw/zinc/10/44/82/374104482.db2.gz NWTMRJMFNMALCO-INIZCTEOSA-N 1 1 268.445 2.609 50 0 CFAAMO CCCc1[nH+]ccn1CC(=O)NC1CCCCCC1 ZINC000070424225 374173688 /nfs/dbraw/zinc/17/36/88/374173688.db2.gz NGXALRODBSASGL-UHFFFAOYSA-N 1 1 263.385 2.675 50 0 CFAAMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1F ZINC000071772305 374223978 /nfs/dbraw/zinc/22/39/78/374223978.db2.gz CVKDNKBOYVSFRO-ZDUSSCGKSA-N 1 1 290.382 2.963 50 0 CFAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nccc(C2CCCC2)n1 ZINC000071775499 374224173 /nfs/dbraw/zinc/22/41/73/374224173.db2.gz KGUJUBJPYYASRA-CABCVRRESA-N 1 1 286.423 2.807 50 0 CFAAMO CC(C)(O)CCc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000072457696 374253500 /nfs/dbraw/zinc/25/35/00/374253500.db2.gz XPYWPXVALGGSSI-UHFFFAOYSA-N 1 1 299.418 2.672 50 0 CFAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000072457696 374253507 /nfs/dbraw/zinc/25/35/07/374253507.db2.gz XPYWPXVALGGSSI-UHFFFAOYSA-N 1 1 299.418 2.672 50 0 CFAAMO CN(Cc1c[nH]cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072478762 374256277 /nfs/dbraw/zinc/25/62/77/374256277.db2.gz GHEBTPJFPNDNLV-UHFFFAOYSA-N 1 1 298.434 2.754 50 0 CFAAMO Clc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc2[nH]ccc21 ZINC000072122410 374233500 /nfs/dbraw/zinc/23/35/00/374233500.db2.gz BHQGOEHACDRTQK-LLVKDONJSA-N 1 1 290.798 2.891 50 0 CFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2[C@@H](C)c2cccnc2)n1 ZINC000072253264 374237865 /nfs/dbraw/zinc/23/78/65/374237865.db2.gz ADJDLQBEQVLNMY-LRDDRELGSA-N 1 1 285.395 2.516 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)no1 ZINC000072300382 374243331 /nfs/dbraw/zinc/24/33/31/374243331.db2.gz CRFHPEOASGHZSK-LBPRGKRZSA-N 1 1 292.770 2.806 50 0 CFAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)no1 ZINC000072300382 374243345 /nfs/dbraw/zinc/24/33/45/374243345.db2.gz CRFHPEOASGHZSK-LBPRGKRZSA-N 1 1 292.770 2.806 50 0 CFAAMO Cc1cc(NS(=O)(=O)c2ccccc2Cl)cc[nH+]1 ZINC000074932226 374447876 /nfs/dbraw/zinc/44/78/76/374447876.db2.gz BSSPVMNRDNFDHM-UHFFFAOYSA-N 1 1 282.752 2.844 50 0 CFAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000075133081 374459561 /nfs/dbraw/zinc/45/95/61/374459561.db2.gz RNIIPFRRINJLNX-MRXNPFEDSA-N 1 1 284.407 2.812 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000075130938 374460042 /nfs/dbraw/zinc/46/00/42/374460042.db2.gz HSRCGDOEPSLKPP-CYBMUJFWSA-N 1 1 273.336 2.516 50 0 CFAAMO C[N@H+]1CCCc2c(c3ccccc3n2-c2cncnc2)C1 ZINC000075567375 374494251 /nfs/dbraw/zinc/49/42/51/374494251.db2.gz VGUBQTYDOKACKE-UHFFFAOYSA-N 1 1 278.359 2.799 50 0 CFAAMO CC(C)NC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000078947809 374577324 /nfs/dbraw/zinc/57/73/24/374577324.db2.gz DBIHKCFONIKANW-AWEZNQCLSA-N 1 1 292.448 2.625 50 0 CFAAMO c1ccc(OC[C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000079100082 374593760 /nfs/dbraw/zinc/59/37/60/374593760.db2.gz BEJDLYHTKWCXRF-AWEZNQCLSA-N 1 1 299.374 2.990 50 0 CFAAMO c1ccc(OC[C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000079100082 374593770 /nfs/dbraw/zinc/59/37/70/374593770.db2.gz BEJDLYHTKWCXRF-AWEZNQCLSA-N 1 1 299.374 2.990 50 0 CFAAMO C(=C/c1ccccc1)\C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083442853 374745959 /nfs/dbraw/zinc/74/59/59/374745959.db2.gz JTMCJYCXDNVRKE-QPJJXVBHSA-N 1 1 268.364 2.698 50 0 CFAAMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000083704387 374753906 /nfs/dbraw/zinc/75/39/06/374753906.db2.gz KGQDKQBTTVUIMI-CZUORRHYSA-N 1 1 262.372 2.884 50 0 CFAAMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000082324720 374735378 /nfs/dbraw/zinc/73/53/78/374735378.db2.gz JEVYANKVQIJBND-GFCCVEGCSA-N 1 1 252.745 2.681 50 0 CFAAMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000082324720 374735385 /nfs/dbraw/zinc/73/53/85/374735385.db2.gz JEVYANKVQIJBND-GFCCVEGCSA-N 1 1 252.745 2.681 50 0 CFAAMO c1ccc(OCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000084556831 374782002 /nfs/dbraw/zinc/78/20/02/374782002.db2.gz NQCQSUFEBHVVPU-QGZVFWFLSA-N 1 1 284.359 2.614 50 0 CFAAMO O[C@H](Cn1cccn1)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000084615241 374782889 /nfs/dbraw/zinc/78/28/89/374782889.db2.gz BPZXEFRJVIZNSD-SJORKVTESA-N 1 1 291.439 2.679 50 0 CFAAMO CC[C@H](C)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000088519720 374848962 /nfs/dbraw/zinc/84/89/62/374848962.db2.gz YNODHIQYWCWQLK-QWHCGFSZSA-N 1 1 254.418 2.802 50 0 CFAAMO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1)NC1CC1 ZINC000089866571 374961072 /nfs/dbraw/zinc/96/10/72/374961072.db2.gz MGCWUSVCFJQKQF-UHFFFAOYSA-N 1 1 295.386 2.536 50 0 CFAAMO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1)NC1CC1 ZINC000089866571 374961084 /nfs/dbraw/zinc/96/10/84/374961084.db2.gz MGCWUSVCFJQKQF-UHFFFAOYSA-N 1 1 295.386 2.536 50 0 CFAAMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000089893070 374964907 /nfs/dbraw/zinc/96/49/07/374964907.db2.gz QNTPKGBPNCLZIX-CQSZACIVSA-N 1 1 292.379 2.600 50 0 CFAAMO CC[C@](C)([NH2+]Cc1cc(Cl)ccc1Cl)C(N)=O ZINC000089941958 374975149 /nfs/dbraw/zinc/97/51/49/374975149.db2.gz RKPVIORSQUCEJW-LBPRGKRZSA-N 1 1 275.179 2.737 50 0 CFAAMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000092660644 375136719 /nfs/dbraw/zinc/13/67/19/375136719.db2.gz FCGZTPHRCHITKU-NSHDSACASA-N 1 1 298.789 2.957 50 0 CFAAMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000092660644 375136728 /nfs/dbraw/zinc/13/67/28/375136728.db2.gz FCGZTPHRCHITKU-NSHDSACASA-N 1 1 298.789 2.957 50 0 CFAAMO Cc1nc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n[nH]1 ZINC000092736983 375145620 /nfs/dbraw/zinc/14/56/20/375145620.db2.gz IIOACDHFPHBSHY-UHFFFAOYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1nnc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)[nH]1 ZINC000092736983 375145623 /nfs/dbraw/zinc/14/56/23/375145623.db2.gz IIOACDHFPHBSHY-UHFFFAOYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1ccc(O)c(C[N@H+](C)[C@H](CCO)c2ccccc2)n1 ZINC000093442405 375238608 /nfs/dbraw/zinc/23/86/08/375238608.db2.gz XAQKQRQJZFAHJK-MRXNPFEDSA-N 1 1 286.375 2.651 50 0 CFAAMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611038 375275182 /nfs/dbraw/zinc/27/51/82/375275182.db2.gz PMYFAPUPXBFQFA-UONOGXRCSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611038 375275184 /nfs/dbraw/zinc/27/51/84/375275184.db2.gz PMYFAPUPXBFQFA-UONOGXRCSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611038 375275190 /nfs/dbraw/zinc/27/51/90/375275190.db2.gz PMYFAPUPXBFQFA-UONOGXRCSA-N 1 1 263.385 2.579 50 0 CFAAMO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1N(C)C ZINC000093941956 375332366 /nfs/dbraw/zinc/33/23/66/375332366.db2.gz MHWIXIOPYFPLMO-GUYCJALGSA-N 1 1 297.402 2.630 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCn1sc2ccccc2c1=O ZINC000095367734 375421087 /nfs/dbraw/zinc/42/10/87/375421087.db2.gz NCZJNUUEPTZSLN-LBPRGKRZSA-N 1 1 276.405 2.937 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCOC1)CC2 ZINC000095366564 375421627 /nfs/dbraw/zinc/42/16/27/375421627.db2.gz POIYVOXQZMNEAJ-CQSZACIVSA-N 1 1 275.392 2.522 50 0 CFAAMO CNc1cc(C)[nH+]c(C[C@H]2COc3c(cccc3OC)C2)n1 ZINC000095369761 375423459 /nfs/dbraw/zinc/42/34/59/375423459.db2.gz DTDNVXPUJORDGW-LBPRGKRZSA-N 1 1 299.374 2.629 50 0 CFAAMO c1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)nc1 ZINC000095375405 375425677 /nfs/dbraw/zinc/42/56/77/375425677.db2.gz XYLQTHBEWCDFOD-FUHWJXTLSA-N 1 1 285.435 2.778 50 0 CFAAMO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)nc1 ZINC000095375405 375425683 /nfs/dbraw/zinc/42/56/83/375425683.db2.gz XYLQTHBEWCDFOD-FUHWJXTLSA-N 1 1 285.435 2.778 50 0 CFAAMO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)nc1 ZINC000095375405 375425685 /nfs/dbraw/zinc/42/56/85/375425685.db2.gz XYLQTHBEWCDFOD-FUHWJXTLSA-N 1 1 285.435 2.778 50 0 CFAAMO CCC1(NC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)CC1 ZINC000095384886 375426353 /nfs/dbraw/zinc/42/63/53/375426353.db2.gz WTPJEFCVKGSEQO-CQSZACIVSA-N 1 1 260.381 2.657 50 0 CFAAMO Cc1noc(C)c1CN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095380966 375426413 /nfs/dbraw/zinc/42/64/13/375426413.db2.gz RZRROJQLWXVBGX-CQSZACIVSA-N 1 1 293.411 2.514 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCn1cccc(C(F)(F)F)c1=O ZINC000095391046 375429182 /nfs/dbraw/zinc/42/91/82/375429182.db2.gz BCVVSVMFBCZTSE-LLVKDONJSA-N 1 1 288.313 2.742 50 0 CFAAMO C[N@H+](Cc1cnc2ccccn12)[C@H](CO)c1cccc(F)c1 ZINC000095413158 375435900 /nfs/dbraw/zinc/43/59/00/375435900.db2.gz CAHCPZNHMXHRIP-MRXNPFEDSA-N 1 1 299.349 2.639 50 0 CFAAMO C[N@@H+](Cc1cnc2ccccn12)[C@H](CO)c1cccc(F)c1 ZINC000095413158 375435903 /nfs/dbraw/zinc/43/59/03/375435903.db2.gz CAHCPZNHMXHRIP-MRXNPFEDSA-N 1 1 299.349 2.639 50 0 CFAAMO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000095420377 375440314 /nfs/dbraw/zinc/44/03/14/375440314.db2.gz BQWBVDMVRLJQFZ-ZDUSSCGKSA-N 1 1 258.369 2.766 50 0 CFAAMO C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@H](CO)C1 ZINC000095430713 375445340 /nfs/dbraw/zinc/44/53/40/375445340.db2.gz QOOUGLHYKBEGKC-KBPBESRZSA-N 1 1 265.422 2.872 50 0 CFAAMO CC(C)C[C@@H]1CCCC[N@H+]1CCNC(=O)NC(C)(C)C ZINC000095452730 375454944 /nfs/dbraw/zinc/45/49/44/375454944.db2.gz NVKCELXQVXLEHX-AWEZNQCLSA-N 1 1 283.460 2.985 50 0 CFAAMO O[C@H](C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200607 375537019 /nfs/dbraw/zinc/53/70/19/375537019.db2.gz JNOIPYNYOJXYSP-NVXWUHKLSA-N 1 1 297.402 2.549 50 0 CFAAMO Cc1cc(N)[nH+]cc1-c1ccc(NC(=O)N(C)C)cc1 ZINC000096179829 375474935 /nfs/dbraw/zinc/47/49/35/375474935.db2.gz WKVCCGRUSUCDLT-UHFFFAOYSA-N 1 1 270.336 2.733 50 0 CFAAMO S=C(c1ccccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096235372 375482347 /nfs/dbraw/zinc/48/23/47/375482347.db2.gz MMBOWSACTZCYBR-UHFFFAOYSA-N 1 1 297.427 2.575 50 0 CFAAMO COc1cc(CN(C)C[C@H]2CCC[NH2+]C2)ccc1SC ZINC000097228997 375542400 /nfs/dbraw/zinc/54/24/00/375542400.db2.gz FRBWSYJJPFDJAU-AWEZNQCLSA-N 1 1 294.464 2.849 50 0 CFAAMO Cc1cc2cc(NC(=O)N3CCC[N@H+](C)CC3)ccc2[nH]1 ZINC000097052073 375504575 /nfs/dbraw/zinc/50/45/75/375504575.db2.gz DGNLQTIHEFQJAE-UHFFFAOYSA-N 1 1 286.379 2.646 50 0 CFAAMO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000097076332 375508593 /nfs/dbraw/zinc/50/85/93/375508593.db2.gz FXHVMFYMTGUFQZ-UHFFFAOYSA-N 1 1 265.307 2.937 50 0 CFAAMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000097076332 375508599 /nfs/dbraw/zinc/50/85/99/375508599.db2.gz FXHVMFYMTGUFQZ-UHFFFAOYSA-N 1 1 265.307 2.937 50 0 CFAAMO COC(=O)c1ccc(Cl)c(C[N@@H+](C)C[C@@H]2CCOC2)c1 ZINC000097080413 375509187 /nfs/dbraw/zinc/50/91/87/375509187.db2.gz YPTIPGPMGAZSPO-NSHDSACASA-N 1 1 297.782 2.595 50 0 CFAAMO COc1ccccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000097095396 375515359 /nfs/dbraw/zinc/51/53/59/375515359.db2.gz QSKGHVYSOBTEKS-UHFFFAOYSA-N 1 1 289.297 2.584 50 0 CFAAMO Cc1ccc(-c2n[nH]cc2CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000097095601 375516727 /nfs/dbraw/zinc/51/67/27/375516727.db2.gz RMTOIAKLZVQARC-CZUORRHYSA-N 1 1 284.407 2.554 50 0 CFAAMO CC(=O)Nc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000097113788 375524220 /nfs/dbraw/zinc/52/42/20/375524220.db2.gz JBRYAUGIFWFRIM-UHFFFAOYSA-N 1 1 283.375 2.715 50 0 CFAAMO CC(=O)Nc1ccccc1C[N@H+]1CCCSCC1 ZINC000097113625 375524256 /nfs/dbraw/zinc/52/42/56/375524256.db2.gz APJRXRACOKYHCJ-UHFFFAOYSA-N 1 1 264.394 2.584 50 0 CFAAMO C[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccn1 ZINC000097113802 375525043 /nfs/dbraw/zinc/52/50/43/375525043.db2.gz IMQWWAHJBROPPR-UHFFFAOYSA-N 1 1 282.391 2.709 50 0 CFAAMO C[N@@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccn1 ZINC000097113802 375525049 /nfs/dbraw/zinc/52/50/49/375525049.db2.gz IMQWWAHJBROPPR-UHFFFAOYSA-N 1 1 282.391 2.709 50 0 CFAAMO COc1ccc(OC)c2c1C[N@@H+](CCC(C)C)C[C@@H]2O ZINC000097133570 375526013 /nfs/dbraw/zinc/52/60/13/375526013.db2.gz GNRWDQGYYWFQMB-ZDUSSCGKSA-N 1 1 279.380 2.599 50 0 CFAAMO Oc1cccc(F)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000097848819 375586715 /nfs/dbraw/zinc/58/67/15/375586715.db2.gz YAJIVTAGOIDDAP-UHFFFAOYSA-N 1 1 286.350 2.854 50 0 CFAAMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000097379069 375556368 /nfs/dbraw/zinc/55/63/68/375556368.db2.gz SXDHAGOKOHAFBT-CQSZACIVSA-N 1 1 295.429 2.624 50 0 CFAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000097475734 375565264 /nfs/dbraw/zinc/56/52/64/375565264.db2.gz RRYQYYVUFIGNSW-OAHLLOKOSA-N 1 1 281.396 2.810 50 0 CFAAMO [NH3+]C1CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000097532813 375568827 /nfs/dbraw/zinc/56/88/27/375568827.db2.gz SUXGOLBLQURMPM-UHFFFAOYSA-N 1 1 256.349 2.870 50 0 CFAAMO OC[C@@H]1CCCCC[N@H+]1Cc1ccnc2ccccc12 ZINC000097679962 375577912 /nfs/dbraw/zinc/57/79/12/375577912.db2.gz XMYCFVPMJOFPEC-HNNXBMFYSA-N 1 1 270.376 2.972 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)CC(C)(C)c1ccccc1 ZINC000097694802 375579229 /nfs/dbraw/zinc/57/92/29/375579229.db2.gz CWLIQZFAKZJTID-MRXNPFEDSA-N 1 1 288.435 2.955 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)[C@@H](C)Cc2cnccn2)cs1 ZINC000097772808 375584254 /nfs/dbraw/zinc/58/42/54/375584254.db2.gz IHVHMDWTJCIANW-NSHDSACASA-N 1 1 289.404 2.804 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)[C@@H](C)Cc2cnccn2)cs1 ZINC000097772808 375584263 /nfs/dbraw/zinc/58/42/63/375584263.db2.gz IHVHMDWTJCIANW-NSHDSACASA-N 1 1 289.404 2.804 50 0 CFAAMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C(=O)Cc3ccccc31)C2 ZINC000100017768 375611996 /nfs/dbraw/zinc/61/19/96/375611996.db2.gz GIDZCNCCCWFCIN-QDMKHBRRSA-N 1 1 270.376 2.591 50 0 in-vitro CFAAMO C[N@@H+](C[C@H]1CCOC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000107509650 375807669 /nfs/dbraw/zinc/80/76/69/375807669.db2.gz HZKFRGIQKXTRFS-WBVHZDCISA-N 1 1 274.408 2.624 50 0 CFAAMO C[C@@H](O)C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000130664055 377589860 /nfs/dbraw/zinc/58/98/60/377589860.db2.gz JWHXHNPPMGUQIV-CYBMUJFWSA-N 1 1 256.349 2.561 50 0 CFAAMO COC(=O)CC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000130954378 377638000 /nfs/dbraw/zinc/63/80/00/377638000.db2.gz KRRPPPAONMUOLR-GFCCVEGCSA-N 1 1 251.326 2.678 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000136898014 378212317 /nfs/dbraw/zinc/21/23/17/378212317.db2.gz VMAMOKVKDSNLMQ-YPMHNXCESA-N 1 1 253.773 2.851 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000136898059 378212812 /nfs/dbraw/zinc/21/28/12/378212812.db2.gz VMAMOKVKDSNLMQ-DGCLKSJQSA-N 1 1 253.773 2.851 50 0 CFAAMO O[C@H](CN1CCC[N@H+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715404 378250473 /nfs/dbraw/zinc/25/04/73/378250473.db2.gz OUQCGNWQPNRZLX-MRXNPFEDSA-N 1 1 294.826 2.544 50 0 CFAAMO O[C@H](C[N@@H+]1CCCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715404 378250476 /nfs/dbraw/zinc/25/04/76/378250476.db2.gz OUQCGNWQPNRZLX-MRXNPFEDSA-N 1 1 294.826 2.544 50 0 CFAAMO CC1(C)CCC[N@H+](CCNCc2cc(C(N)=O)cs2)C1 ZINC000331311813 378666888 /nfs/dbraw/zinc/66/68/88/378666888.db2.gz ZOGMSLYRGVYLMU-UHFFFAOYSA-N 1 1 295.452 2.843 50 0 CFAAMO CC1(C)CCC[N@@H+](CCNCc2cc(C(N)=O)cs2)C1 ZINC000331311813 378666894 /nfs/dbraw/zinc/66/68/94/378666894.db2.gz ZOGMSLYRGVYLMU-UHFFFAOYSA-N 1 1 295.452 2.843 50 0 CFAAMO Cc1cnc(CC2CC[NH2+]CC2)n1Cc1ccc(F)cc1 ZINC000169676622 379107771 /nfs/dbraw/zinc/10/77/71/379107771.db2.gz UEXGEWHKBKRPAY-UHFFFAOYSA-N 1 1 287.382 2.921 50 0 CFAAMO C[N@@H+](CC[C@@H]1CCCCO1)CC(=O)Nc1cccc(F)c1 ZINC000170594599 379121485 /nfs/dbraw/zinc/12/14/85/379121485.db2.gz PFRFZHAGFICVMS-HNNXBMFYSA-N 1 1 294.370 2.655 50 0 CFAAMO O[C@H](C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000048543938 412908161 /nfs/dbraw/zinc/90/81/61/412908161.db2.gz TXSBXAHMPGSIFX-QGZVFWFLSA-N 1 1 271.335 2.917 50 0 CFAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccoc1 ZINC000174938138 379964903 /nfs/dbraw/zinc/96/49/03/379964903.db2.gz RKTHXIPULPBSQI-INIZCTEOSA-N 1 1 298.386 2.874 50 0 CFAAMO CCn1ncc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)n1 ZINC000408520268 380937832 /nfs/dbraw/zinc/93/78/32/380937832.db2.gz MERPZFFIWNEAMD-MRXNPFEDSA-N 1 1 288.395 2.794 50 0 CFAAMO CCOC(=O)c1csc(C[N@H+](C)C[C@H](C)CC)n1 ZINC000292790387 381836613 /nfs/dbraw/zinc/83/66/13/381836613.db2.gz ZSFSVNIOYCKVMA-SNVBAGLBSA-N 1 1 270.398 2.798 50 0 CFAAMO CCOC(=O)c1csc(C[N@@H+](C)C[C@H](C)CC)n1 ZINC000292790387 381836616 /nfs/dbraw/zinc/83/66/16/381836616.db2.gz ZSFSVNIOYCKVMA-SNVBAGLBSA-N 1 1 270.398 2.798 50 0 CFAAMO CC[C@@H](NC(=O)CCn1cc[nH+]c1C)c1cc(C)ccn1 ZINC000299797460 382049450 /nfs/dbraw/zinc/04/94/50/382049450.db2.gz ARURXXCDXABQFL-CQSZACIVSA-N 1 1 286.379 2.553 50 0 CFAAMO Cc1cnn(CC[N@H+]2Cc3ccccc3OC(C)(C)C2)c1 ZINC000344104094 382131747 /nfs/dbraw/zinc/13/17/47/382131747.db2.gz GOFVIFLYYQNXGU-UHFFFAOYSA-N 1 1 285.391 2.865 50 0 CFAAMO CC(C)[N@H+](CC(N)=O)Cc1ccnc(Br)c1 ZINC000328589710 382550528 /nfs/dbraw/zinc/55/05/28/382550528.db2.gz PZPVVHNFPODWMM-UHFFFAOYSA-N 1 1 286.173 2.590 50 0 CFAAMO CC(C)[N@@H+](CC(N)=O)Cc1ccnc(Br)c1 ZINC000328589710 382550530 /nfs/dbraw/zinc/55/05/30/382550530.db2.gz PZPVVHNFPODWMM-UHFFFAOYSA-N 1 1 286.173 2.590 50 0 CFAAMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189064853 382535568 /nfs/dbraw/zinc/53/55/68/382535568.db2.gz KKFWPVCYMJOURP-SNVBAGLBSA-N 1 1 284.762 2.567 50 0 CFAAMO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CCn1cccn1 ZINC000192019454 382704251 /nfs/dbraw/zinc/70/42/51/382704251.db2.gz IKWIPUGXPDEQMX-UHFFFAOYSA-N 1 1 295.390 2.509 50 0 CFAAMO C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000192973502 382714108 /nfs/dbraw/zinc/71/41/08/382714108.db2.gz INVMYADMEPOTCW-IUSOGQAPSA-N 1 1 265.422 2.789 50 0 CFAAMO c1cnn(CC[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000195372710 382766960 /nfs/dbraw/zinc/76/69/60/382766960.db2.gz HESFJZADPKHOMY-LBPRGKRZSA-N 1 1 262.382 2.567 50 0 CFAAMO c1cnn(CC[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000195372710 382766962 /nfs/dbraw/zinc/76/69/62/382766962.db2.gz HESFJZADPKHOMY-LBPRGKRZSA-N 1 1 262.382 2.567 50 0 CFAAMO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000195559632 382769481 /nfs/dbraw/zinc/76/94/81/382769481.db2.gz NAOHLSLOFDOBLS-XJKSGUPXSA-N 1 1 263.381 2.564 50 0 CFAAMO CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000195559632 382769484 /nfs/dbraw/zinc/76/94/84/382769484.db2.gz NAOHLSLOFDOBLS-XJKSGUPXSA-N 1 1 263.381 2.564 50 0 CFAAMO CCCn1ccnc1CN(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000214959874 382777002 /nfs/dbraw/zinc/77/70/02/382777002.db2.gz UFFFJUONRJQCQB-UHFFFAOYSA-N 1 1 298.434 2.871 50 0 CFAAMO CC(C)C[N@H+]1CC[C@@H](CN(C)Cc2nccs2)C1 ZINC000215187512 382778054 /nfs/dbraw/zinc/77/80/54/382778054.db2.gz NQGAPOIIOPGDGT-ZDUSSCGKSA-N 1 1 267.442 2.553 50 0 CFAAMO Fc1ccc(/C=C/C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000215172818 382778098 /nfs/dbraw/zinc/77/80/98/382778098.db2.gz UPZOSYYMJVRYIQ-YOUVMVQBSA-N 1 1 286.354 2.837 50 0 CFAAMO COc1ccc(/C=C/C[N@@H+](C)C2CCOCC2)cc1 ZINC000215320602 382778738 /nfs/dbraw/zinc/77/87/38/382778738.db2.gz QGJKNUDUQTWMLQ-ONEGZZNKSA-N 1 1 261.365 2.819 50 0 CFAAMO Cn1cncc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000215465978 382779280 /nfs/dbraw/zinc/77/92/80/382779280.db2.gz JXEUCXMMUYIJED-OAHLLOKOSA-N 1 1 255.365 2.800 50 0 CFAAMO Cn1cc(CC[N@@H+](C)Cc2ccc3ccccc3n2)cn1 ZINC000215528645 382779301 /nfs/dbraw/zinc/77/93/01/382779301.db2.gz IVPIHNYTPNTULS-UHFFFAOYSA-N 1 1 280.375 2.643 50 0 CFAAMO CCCc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+](C)C3)o1 ZINC000215568829 382779826 /nfs/dbraw/zinc/77/98/26/382779826.db2.gz RKAXCQHJWBCNNJ-KBPBESRZSA-N 1 1 262.397 2.758 50 0 CFAAMO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(C)C3)o1 ZINC000215568829 382779827 /nfs/dbraw/zinc/77/98/27/382779827.db2.gz RKAXCQHJWBCNNJ-KBPBESRZSA-N 1 1 262.397 2.758 50 0 CFAAMO CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N(C)C3)o1 ZINC000215568829 382779829 /nfs/dbraw/zinc/77/98/29/382779829.db2.gz RKAXCQHJWBCNNJ-KBPBESRZSA-N 1 1 262.397 2.758 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)[C@@H](C)Cc2ccccn2)n(C)c1 ZINC000215795539 382780139 /nfs/dbraw/zinc/78/01/39/382780139.db2.gz IFLMCDBTWZCRNS-ZDUSSCGKSA-N 1 1 285.391 2.686 50 0 CFAAMO CS[C@@H](C)CC[N@H+](Cc1nccn1C)C1CC1 ZINC000215761210 382780253 /nfs/dbraw/zinc/78/02/53/382780253.db2.gz QSXFARHKAQWPKU-NSHDSACASA-N 1 1 253.415 2.526 50 0 CFAAMO CS[C@@H](C)CC[N@@H+](Cc1nccn1C)C1CC1 ZINC000215761210 382780256 /nfs/dbraw/zinc/78/02/56/382780256.db2.gz QSXFARHKAQWPKU-NSHDSACASA-N 1 1 253.415 2.526 50 0 CFAAMO CO[C@@H]1CCC[N@@H+](Cc2ccc3ccn(C)c3c2)C1 ZINC000215976584 382781233 /nfs/dbraw/zinc/78/12/33/382781233.db2.gz QWFGKRYLMOBPMM-OAHLLOKOSA-N 1 1 258.365 2.789 50 0 CFAAMO CC[N@@H+]1CC[C@H](CN(C)Cc2cccc3cc[nH]c32)C1 ZINC000215893837 382781320 /nfs/dbraw/zinc/78/13/20/382781320.db2.gz QAOAHNSIJLNRCB-CQSZACIVSA-N 1 1 271.408 2.942 50 0 CFAAMO CC[N@H+]1CC[C@H](CN(C)Cc2cccc3cc[nH]c32)C1 ZINC000215893837 382781321 /nfs/dbraw/zinc/78/13/21/382781321.db2.gz QAOAHNSIJLNRCB-CQSZACIVSA-N 1 1 271.408 2.942 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000215917236 382781348 /nfs/dbraw/zinc/78/13/48/382781348.db2.gz OEGFGWLRVIVWCT-OAHLLOKOSA-N 1 1 285.334 2.710 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000215917236 382781349 /nfs/dbraw/zinc/78/13/49/382781349.db2.gz OEGFGWLRVIVWCT-OAHLLOKOSA-N 1 1 285.334 2.710 50 0 CFAAMO COC1CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000215918795 382781441 /nfs/dbraw/zinc/78/14/41/382781441.db2.gz KIHZURHJYQCPKC-UHFFFAOYSA-N 1 1 253.367 2.562 50 0 CFAAMO COc1c(F)cc(CN(C)Cc2cc(C)[nH]n2)cc1F ZINC000216219436 382782409 /nfs/dbraw/zinc/78/24/09/382782409.db2.gz OAAPKQKUSGXYBX-UHFFFAOYSA-N 1 1 281.306 2.637 50 0 CFAAMO Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000216273503 382782535 /nfs/dbraw/zinc/78/25/35/382782535.db2.gz FKBXDIWEPQEGDY-CQSZACIVSA-N 1 1 257.333 2.822 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+](C)C[C@H]2COCCO2)s1 ZINC000216257146 382782604 /nfs/dbraw/zinc/78/26/04/382782604.db2.gz VCQODIKTFMSTJR-ZDUSSCGKSA-N 1 1 283.437 2.794 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CCCO)c(F)c1 ZINC000216347923 382783097 /nfs/dbraw/zinc/78/30/97/382783097.db2.gz KDSVAEGMLLHKOO-AWEZNQCLSA-N 1 1 281.371 2.961 50 0 CFAAMO CCc1nccc(C[N@@H+](C)C2Cc3ccccc3C2)n1 ZINC000216327717 382783149 /nfs/dbraw/zinc/78/31/49/382783149.db2.gz UTSBSOWTAGVBPW-UHFFFAOYSA-N 1 1 267.376 2.638 50 0 CFAAMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)s2)C1 ZINC000216517950 382784078 /nfs/dbraw/zinc/78/40/78/382784078.db2.gz QELOYLIAWOUHGH-CYBMUJFWSA-N 1 1 280.437 2.657 50 0 CFAAMO C=Cn1cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)cn1 ZINC000194675823 382751943 /nfs/dbraw/zinc/75/19/43/382751943.db2.gz CSYWEWOHDQMPAE-CJNGLKHVSA-N 1 1 268.364 2.962 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)c2ccsc2)n1C1CC1 ZINC000575316264 382757928 /nfs/dbraw/zinc/75/79/28/382757928.db2.gz BQGXZTDQXLGMPT-UHFFFAOYSA-N 1 1 275.377 2.560 50 0 CFAAMO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)NCc1cccc2[nH]ccc21 ZINC000221362311 382798126 /nfs/dbraw/zinc/79/81/26/382798126.db2.gz YQKRWHBHKLGXNA-HIFRSBDPSA-N 1 1 297.402 2.659 50 0 CFAAMO C[C@@H]1C[N@H+](CCCc2nc3ccccc3[nH]2)C[C@H](C)O1 ZINC000225678955 382820261 /nfs/dbraw/zinc/82/02/61/382820261.db2.gz ONTPFNFAVHGWRX-BETUJISGSA-N 1 1 273.380 2.605 50 0 CFAAMO Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000227154529 382834338 /nfs/dbraw/zinc/83/43/38/382834338.db2.gz JRAKQEOYQIUSKM-HZPDHXFCSA-N 1 1 295.386 2.674 50 0 CFAAMO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720610 382853148 /nfs/dbraw/zinc/85/31/48/382853148.db2.gz HKLWRDKEQSPEPS-GOEBONIOSA-N 1 1 274.408 2.781 50 0 CFAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1nccs1 ZINC000240662544 382982874 /nfs/dbraw/zinc/98/28/74/382982874.db2.gz PLZDPSMMNNTGGU-NSHDSACASA-N 1 1 291.376 2.902 50 0 CFAAMO c1coc(C[N@@H+](Cc2ccccn2)C[C@H]2CCOC2)c1 ZINC000243919621 382988449 /nfs/dbraw/zinc/98/84/49/382988449.db2.gz BPULISQAPGSPCB-CQSZACIVSA-N 1 1 272.348 2.713 50 0 CFAAMO CCc1nnc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)[nH]1 ZINC000244678856 382989656 /nfs/dbraw/zinc/98/96/56/382989656.db2.gz ILMIZPXHHBJKRT-HNNXBMFYSA-N 1 1 299.422 2.749 50 0 CFAAMO CCc1nnc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)[nH]1 ZINC000244678856 382989661 /nfs/dbraw/zinc/98/96/61/382989661.db2.gz ILMIZPXHHBJKRT-HNNXBMFYSA-N 1 1 299.422 2.749 50 0 CFAAMO CCN(C)C(=O)[C@@H](C)[N@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244564033 382990128 /nfs/dbraw/zinc/99/01/28/382990128.db2.gz CLJASNVJODXUGT-CYBMUJFWSA-N 1 1 287.407 2.775 50 0 CFAAMO CCN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1[nH]c2ccccc2c1C ZINC000244564033 382990131 /nfs/dbraw/zinc/99/01/31/382990131.db2.gz CLJASNVJODXUGT-CYBMUJFWSA-N 1 1 287.407 2.775 50 0 CFAAMO CNc1nc(C[N@H+](C)CCc2scnc2C)cs1 ZINC000244724633 382990862 /nfs/dbraw/zinc/99/08/62/382990862.db2.gz MXSOKKGSZCBTKH-UHFFFAOYSA-N 1 1 282.438 2.624 50 0 CFAAMO CNc1nc(C[N@@H+](C)CCc2scnc2C)cs1 ZINC000244724633 382990867 /nfs/dbraw/zinc/99/08/67/382990867.db2.gz MXSOKKGSZCBTKH-UHFFFAOYSA-N 1 1 282.438 2.624 50 0 CFAAMO CC(C)c1nnsc1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000244873173 382994716 /nfs/dbraw/zinc/99/47/16/382994716.db2.gz WLFOMWXUXISCIW-LLVKDONJSA-N 1 1 291.424 2.515 50 0 CFAAMO CC(C)c1nnsc1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000244873173 382994717 /nfs/dbraw/zinc/99/47/17/382994717.db2.gz WLFOMWXUXISCIW-LLVKDONJSA-N 1 1 291.424 2.515 50 0 CFAAMO CNc1nc(C[N@H+](C)CC[C@@H](O)c2ccccc2)cs1 ZINC000244882539 382994815 /nfs/dbraw/zinc/99/48/15/382994815.db2.gz XTRGRBRDKIJZTM-CQSZACIVSA-N 1 1 291.420 2.740 50 0 CFAAMO CNc1nc(C[N@@H+](C)CC[C@@H](O)c2ccccc2)cs1 ZINC000244882539 382994819 /nfs/dbraw/zinc/99/48/19/382994819.db2.gz XTRGRBRDKIJZTM-CQSZACIVSA-N 1 1 291.420 2.740 50 0 CFAAMO COc1cccc([C@@H]2CC[N@@H+]2CCn2cc(Cl)cn2)c1 ZINC000244866344 382994826 /nfs/dbraw/zinc/99/48/26/382994826.db2.gz VUIVFQVDAYXJCJ-HNNXBMFYSA-N 1 1 291.782 2.992 50 0 CFAAMO COc1cccc([C@@H]2CC[N@H+]2CCn2cc(Cl)cn2)c1 ZINC000244866344 382994829 /nfs/dbraw/zinc/99/48/29/382994829.db2.gz VUIVFQVDAYXJCJ-HNNXBMFYSA-N 1 1 291.782 2.992 50 0 CFAAMO COCC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2)C1 ZINC000244899631 382995449 /nfs/dbraw/zinc/99/54/49/382995449.db2.gz ZNAVULQWFKIUIJ-OAHLLOKOSA-N 1 1 290.407 2.682 50 0 CFAAMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000244955851 382995631 /nfs/dbraw/zinc/99/56/31/382995631.db2.gz GCHIHZIMIPPUGG-CVEARBPZSA-N 1 1 277.408 2.918 50 0 CFAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245284712 382997002 /nfs/dbraw/zinc/99/70/02/382997002.db2.gz UFVHRDPNNDCPFW-BPUTZDHNSA-N 1 1 272.392 2.725 50 0 CFAAMO C[C@H](NCc1ccns1)[C@H](c1ccccc1)[NH+](C)C ZINC000585117776 383115306 /nfs/dbraw/zinc/11/53/06/383115306.db2.gz WJNMCDGBJXWADE-SWLSCSKDSA-N 1 1 275.421 2.924 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247280092 383158897 /nfs/dbraw/zinc/15/88/97/383158897.db2.gz YNSNXIOEDSJHRC-AAEUAGOBSA-N 1 1 276.409 2.731 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H]2CCCC[C@H]2C)C1 ZINC000248498302 383251431 /nfs/dbraw/zinc/25/14/31/383251431.db2.gz ROOYBKJWKRKOHG-BMFZPTHFSA-N 1 1 266.429 2.613 50 0 CFAAMO CCCCC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C(C)C ZINC000252479129 383409899 /nfs/dbraw/zinc/40/98/99/383409899.db2.gz AZRFWSAFTPMSOV-CYBMUJFWSA-N 1 1 253.386 2.983 50 0 CFAAMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@H]1C ZINC000252512892 383416675 /nfs/dbraw/zinc/41/66/75/383416675.db2.gz WNYJQJFTZIMPJP-GHMZBOCLSA-N 1 1 296.802 2.681 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000252499844 383413947 /nfs/dbraw/zinc/41/39/47/383413947.db2.gz SGFOQLNPDFCENT-NSHDSACASA-N 1 1 268.430 2.516 50 0 CFAAMO CNc1nc(C[N@H+](C)[C@@H](C)Cc2cc(C)ccn2)cs1 ZINC000252501671 383414968 /nfs/dbraw/zinc/41/49/68/383414968.db2.gz UHOFCKSMMNZJFX-LBPRGKRZSA-N 1 1 290.436 2.951 50 0 CFAAMO CNc1nc(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)cs1 ZINC000252501671 383414970 /nfs/dbraw/zinc/41/49/70/383414970.db2.gz UHOFCKSMMNZJFX-LBPRGKRZSA-N 1 1 290.436 2.951 50 0 CFAAMO CCC1=NO[C@H](C[N@H+](C)Cc2cnc3ccccc3n2)C1 ZINC000252504229 383415111 /nfs/dbraw/zinc/41/51/11/383415111.db2.gz VIOCGSQJTAPKKS-AWEZNQCLSA-N 1 1 284.363 2.617 50 0 CFAAMO CCC1=NO[C@H](C[N@@H+](C)Cc2cnc3ccccc3n2)C1 ZINC000252504229 383415113 /nfs/dbraw/zinc/41/51/13/383415113.db2.gz VIOCGSQJTAPKKS-AWEZNQCLSA-N 1 1 284.363 2.617 50 0 CFAAMO CCOC(=O)C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253392229 383454351 /nfs/dbraw/zinc/45/43/51/383454351.db2.gz NMEQGSJOIDVXSA-LSDHHAIUSA-N 1 1 295.354 2.541 50 0 CFAAMO CCOC(=O)C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253392229 383454355 /nfs/dbraw/zinc/45/43/55/383454355.db2.gz NMEQGSJOIDVXSA-LSDHHAIUSA-N 1 1 295.354 2.541 50 0 CFAAMO CCn1c(C)nnc1SCC[C@@H]1CCCC[N@H+]1C ZINC000253416117 383456364 /nfs/dbraw/zinc/45/63/64/383456364.db2.gz PMQAXROBZISLDQ-LBPRGKRZSA-N 1 1 268.430 2.573 50 0 CFAAMO CCCN1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000253417256 383457154 /nfs/dbraw/zinc/45/71/54/383457154.db2.gz TVBJTTRHSTULDU-OAHLLOKOSA-N 1 1 274.408 2.580 50 0 CFAAMO Cc1ccc(C[N@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)o1 ZINC000257175325 383490061 /nfs/dbraw/zinc/49/00/61/383490061.db2.gz ARVDOPJMRLLMPQ-CVEARBPZSA-N 1 1 290.407 2.859 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cn1 ZINC000636440575 383817793 /nfs/dbraw/zinc/81/77/93/383817793.db2.gz QTDLVSDKKXDXHK-IRXDYDNUSA-N 1 1 298.386 2.788 50 0 CFAAMO O=C1C[C@H](C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CN1 ZINC000328599699 285243353 /nfs/dbraw/zinc/24/33/53/285243353.db2.gz SXAZPONSDOEGBQ-JTQLQIEISA-N 1 1 287.338 2.642 50 0 CFAAMO O=C1C[C@H](C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CN1 ZINC000328599699 285243357 /nfs/dbraw/zinc/24/33/57/285243357.db2.gz SXAZPONSDOEGBQ-JTQLQIEISA-N 1 1 287.338 2.642 50 0 CFAAMO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000076040536 285245850 /nfs/dbraw/zinc/24/58/50/285245850.db2.gz BWZYZKZKNYDDJS-JKSUJKDBSA-N 1 1 263.381 2.529 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000007787551 256804094 /nfs/dbraw/zinc/80/40/94/256804094.db2.gz ZQWUDUFRUVSZNK-ZZFFKQLHSA-N 1 1 290.451 2.803 50 0 CFAAMO COc1c(C)cnc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)c1C ZINC000824500081 781991959 /nfs/dbraw/zinc/99/19/59/781991959.db2.gz VRZBDCSZNNTWAB-FICVDOATSA-N 1 1 290.407 2.849 50 0 CFAAMO C[N@@H+]1CCN(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000030028970 393504964 /nfs/dbraw/zinc/50/49/64/393504964.db2.gz AZNXCGLJTMCYSZ-QGZVFWFLSA-N 1 1 298.361 2.955 50 0 CFAAMO C[N@H+]1CCN(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000030028970 393504969 /nfs/dbraw/zinc/50/49/69/393504969.db2.gz AZNXCGLJTMCYSZ-QGZVFWFLSA-N 1 1 298.361 2.955 50 0 CFAAMO Cc1csc2c1ncnc2N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000192594703 393626414 /nfs/dbraw/zinc/62/64/14/393626414.db2.gz QQCPETAXBOJKML-RYUDHWBXSA-N 1 1 288.420 2.673 50 0 CFAAMO Fc1ccc([C@@H]2C[N@H+](CCc3ccncc3)CCO2)cc1 ZINC000065586202 393631475 /nfs/dbraw/zinc/63/14/75/393631475.db2.gz KBJTZPKXXOMBBC-KRWDZBQOSA-N 1 1 286.350 2.837 50 0 CFAAMO Fc1ccc([C@@H]2C[N@@H+](CCc3ccncc3)CCO2)cc1 ZINC000065586202 393631480 /nfs/dbraw/zinc/63/14/80/393631480.db2.gz KBJTZPKXXOMBBC-KRWDZBQOSA-N 1 1 286.350 2.837 50 0 CFAAMO CCOCC[N@H+]1CCN([C@@H](C)c2cccnc2)C[C@H]1CC ZINC000069819898 393636716 /nfs/dbraw/zinc/63/67/16/393636716.db2.gz MSLCFPUXBGDRFS-DOTOQJQBSA-N 1 1 291.439 2.575 50 0 CFAAMO C[C@@H](O)C[N@@H+](CCc1ccncc1)Cc1ccccc1 ZINC000096421165 393828058 /nfs/dbraw/zinc/82/80/58/393828058.db2.gz XBCOWRXLROJRFG-OAHLLOKOSA-N 1 1 270.376 2.507 50 0 CFAAMO OCCC[N@@H+](Cc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000096424231 393829550 /nfs/dbraw/zinc/82/95/50/393829550.db2.gz MWZXOBKUWCRAHT-GOSISDBHSA-N 1 1 282.387 2.954 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)NC[C@H](C)c1ccc(F)c(F)c1 ZINC000096432613 393832475 /nfs/dbraw/zinc/83/24/75/393832475.db2.gz OBVOCTRKUWUWAK-NSHDSACASA-N 1 1 284.350 2.525 50 0 CFAAMO Cc1nnc(C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)[nH]1 ZINC000426518313 393888866 /nfs/dbraw/zinc/88/88/66/393888866.db2.gz LKWQDQZWHSGGKG-AWEZNQCLSA-N 1 1 270.380 2.739 50 0 CFAAMO CCOC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000247690864 393902059 /nfs/dbraw/zinc/90/20/59/393902059.db2.gz VWUDWBMFYYVTBC-YUELXQCFSA-N 1 1 281.396 2.758 50 0 CFAAMO CCN(C)c1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252510635 393936876 /nfs/dbraw/zinc/93/68/76/393936876.db2.gz AZAGKHNKHOSHAZ-SJORKVTESA-N 1 1 287.451 2.859 50 0 CFAAMO CCN(C)c1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252510635 393936878 /nfs/dbraw/zinc/93/68/78/393936878.db2.gz AZAGKHNKHOSHAZ-SJORKVTESA-N 1 1 287.451 2.859 50 0 CFAAMO CO[C@H](C)C[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000348834888 393959085 /nfs/dbraw/zinc/95/90/85/393959085.db2.gz RKMXTKGQZPSXJD-GFCCVEGCSA-N 1 1 263.381 2.867 50 0 CFAAMO C[C@@H]1CCC[C@H](OC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000128959091 394079218 /nfs/dbraw/zinc/07/92/18/394079218.db2.gz LZQVCOLQHITPFC-UPJWGTAASA-N 1 1 271.426 2.546 50 0 CFAAMO C[C@@H]1CCC[C@H](OC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000128959091 394079221 /nfs/dbraw/zinc/07/92/21/394079221.db2.gz LZQVCOLQHITPFC-UPJWGTAASA-N 1 1 271.426 2.546 50 0 CFAAMO Cc1nccc(N2CCC(c3[nH+]ccn3C(C)C)CC2)n1 ZINC000091906876 135074468 /nfs/dbraw/zinc/07/44/68/135074468.db2.gz RPQCXESMBUSIID-UHFFFAOYSA-N 1 1 285.395 2.946 50 0 CFAAMO c1ccc2c(c1)CC[N@H+](C1CCN(c3ccncn3)CC1)C2 ZINC000092038069 135075277 /nfs/dbraw/zinc/07/52/77/135075277.db2.gz WVDVKGCZSYZNHZ-UHFFFAOYSA-N 1 1 294.402 2.504 50 0 CFAAMO COc1ccc(C[NH2+]Cc2cccc(OC)c2F)cn1 ZINC000165848404 542909631 /nfs/dbraw/zinc/90/96/31/542909631.db2.gz WERPNEFWGMLKTA-UHFFFAOYSA-N 1 1 276.311 2.528 50 0 CFAAMO Cn1cc(CCC[N@@H+]2CCc3c4ccccc4[nH]c3C2)cn1 ZINC000023159052 542972606 /nfs/dbraw/zinc/97/26/06/542972606.db2.gz DDFWIQMWJUAZHL-UHFFFAOYSA-N 1 1 294.402 2.892 50 0 CFAAMO Cn1cc(CCC[N@H+]2CCc3c4ccccc4[nH]c3C2)cn1 ZINC000023159052 542972609 /nfs/dbraw/zinc/97/26/09/542972609.db2.gz DDFWIQMWJUAZHL-UHFFFAOYSA-N 1 1 294.402 2.892 50 0 CFAAMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000046878568 397582743 /nfs/dbraw/zinc/58/27/43/397582743.db2.gz WHHYIOGEPCKCHH-NSHDSACASA-N 1 1 280.437 2.827 50 0 CFAAMO COC[C@@H](C)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000108491684 397598269 /nfs/dbraw/zinc/59/82/69/397598269.db2.gz ZZBWTEBKYGQAMK-KFWWJZLASA-N 1 1 292.423 2.743 50 0 CFAAMO Cc1c([C@H]2CCC[N@H+]2Cc2ccc(O)cc2)cnn1C ZINC000195575896 397612102 /nfs/dbraw/zinc/61/21/02/397612102.db2.gz KFPXNXWUZDLOGE-MRXNPFEDSA-N 1 1 271.364 2.771 50 0 CFAAMO CCc1nccc(C[N@H+](C)[C@@H](C)c2cccnc2)n1 ZINC000215146077 397619289 /nfs/dbraw/zinc/61/92/89/397619289.db2.gz DMEMXUGJSAKENZ-LBPRGKRZSA-N 1 1 256.353 2.627 50 0 CFAAMO CCc1nccc(C[N@@H+](C)[C@@H](C)c2cccnc2)n1 ZINC000215146077 397619291 /nfs/dbraw/zinc/61/92/91/397619291.db2.gz DMEMXUGJSAKENZ-LBPRGKRZSA-N 1 1 256.353 2.627 50 0 CFAAMO Cc1cnn(C)c1C[N@@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000216385427 397620306 /nfs/dbraw/zinc/62/03/06/397620306.db2.gz ISJWQRLCOYYINN-OAHLLOKOSA-N 1 1 277.412 2.510 50 0 CFAAMO Cc1nn(CCCNc2[nH+]cnc3[nH]ccc32)c(C)c1C ZINC000825290547 782008181 /nfs/dbraw/zinc/00/81/81/782008181.db2.gz NYYVYOLBJMXSOM-UHFFFAOYSA-N 1 1 284.367 2.533 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C)C ZINC000004020171 292369607 /nfs/dbraw/zinc/36/96/07/292369607.db2.gz LSKOBBMGJQZPPY-ZBFHGGJFSA-N 1 1 272.392 2.785 50 0 CFAAMO COc1cccc(C=O)c1OCC[N@H+]1CCC[C@H](C)C1 ZINC000004870273 170034641 /nfs/dbraw/zinc/03/46/41/170034641.db2.gz YQYKMDDGMPMRAN-ZDUSSCGKSA-N 1 1 277.364 2.618 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000007384163 170282063 /nfs/dbraw/zinc/28/20/63/170282063.db2.gz XPQBFKXAEHHWMA-NEPJUHHUSA-N 1 1 264.344 2.885 50 0 CFAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000007384163 170282065 /nfs/dbraw/zinc/28/20/65/170282065.db2.gz XPQBFKXAEHHWMA-NEPJUHHUSA-N 1 1 264.344 2.885 50 0 CFAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2)c1 ZINC000007683457 170297348 /nfs/dbraw/zinc/29/73/48/170297348.db2.gz OSIXBKRKZLQTSP-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2)c1 ZINC000007683457 170297350 /nfs/dbraw/zinc/29/73/50/170297350.db2.gz OSIXBKRKZLQTSP-UHFFFAOYSA-N 1 1 284.359 2.766 50 0 CFAAMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCCCC1 ZINC000008727412 170349833 /nfs/dbraw/zinc/34/98/33/170349833.db2.gz DVZOUHBYAITMRU-GFCCVEGCSA-N 1 1 298.394 2.744 50 0 CFAAMO CC[NH+]1CCN(C(=O)CCSc2ccc(C)cc2)CC1 ZINC000020385650 171176023 /nfs/dbraw/zinc/17/60/23/171176023.db2.gz QEFPFJIHDNQNLG-UHFFFAOYSA-N 1 1 292.448 2.641 50 0 CFAAMO Cc1ccsc1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC000020449140 171207563 /nfs/dbraw/zinc/20/75/63/171207563.db2.gz KPOHXTHHBMDQDZ-UHFFFAOYSA-N 1 1 299.403 2.869 50 0 CFAAMO Cc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)o1 ZINC000020780539 171272320 /nfs/dbraw/zinc/27/23/20/171272320.db2.gz HSKPZJONQZQRCA-HNNXBMFYSA-N 1 1 294.439 2.503 50 0 CFAAMO Cc1[nH+]ccn1CCc1nc(-c2ccccc2C)no1 ZINC000020861454 171276407 /nfs/dbraw/zinc/27/64/07/171276407.db2.gz XDNBCOUJONMHCP-UHFFFAOYSA-N 1 1 268.320 2.793 50 0 CFAAMO CCCC[N@@H+](CC)CCCNc1ncnc2onc(C)c21 ZINC000021714725 171319725 /nfs/dbraw/zinc/31/97/25/171319725.db2.gz CBSTVHKREJQHKR-UHFFFAOYSA-N 1 1 291.399 2.850 50 0 CFAAMO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000022454655 171388395 /nfs/dbraw/zinc/38/83/95/171388395.db2.gz WAIMKNMRCFZLKF-QPJJXVBHSA-N 1 1 293.414 2.913 50 0 CFAAMO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccncc2)CC1 ZINC000022454655 171388396 /nfs/dbraw/zinc/38/83/96/171388396.db2.gz WAIMKNMRCFZLKF-QPJJXVBHSA-N 1 1 293.414 2.913 50 0 CFAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000039515385 174169721 /nfs/dbraw/zinc/16/97/21/174169721.db2.gz LWNDAQZDNQTWFT-QGZVFWFLSA-N 1 1 290.451 2.601 50 0 CFAAMO O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040159888 174195518 /nfs/dbraw/zinc/19/55/18/174195518.db2.gz HZCZWLUYNAZDNZ-QGZVFWFLSA-N 1 1 284.403 2.687 50 0 CFAAMO c1csc(-c2n[nH]cc2C[NH2+]Cc2nccs2)c1 ZINC000040444087 174264360 /nfs/dbraw/zinc/26/43/60/174264360.db2.gz BGJFBOSFTBVCCL-UHFFFAOYSA-N 1 1 276.390 2.885 50 0 CFAAMO NC(=O)[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000040481460 174285496 /nfs/dbraw/zinc/28/54/96/174285496.db2.gz NRPJPMNBBGEDPK-CQSZACIVSA-N 1 1 274.751 2.656 50 0 CFAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000040513559 174305581 /nfs/dbraw/zinc/30/55/81/174305581.db2.gz YMADLJHYTNWWMW-LLVKDONJSA-N 1 1 293.798 2.946 50 0 CFAAMO C[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000045893253 175385649 /nfs/dbraw/zinc/38/56/49/175385649.db2.gz YKNGXCIRMWDEBG-LURJTMIESA-N 1 1 257.215 2.775 50 0 CFAAMO C/C=C/C=C/C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046239028 175395182 /nfs/dbraw/zinc/39/51/82/175395182.db2.gz HXAJAKSCIYLHOR-KHVHPYDTSA-N 1 1 284.403 2.683 50 0 CFAAMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000046956795 175401719 /nfs/dbraw/zinc/40/17/19/175401719.db2.gz PQUZBAFQFIGFDQ-NSHDSACASA-N 1 1 281.787 2.803 50 0 CFAAMO CC[C@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000071910893 176297774 /nfs/dbraw/zinc/29/77/74/176297774.db2.gz HFFRCPGMPGSXHK-KBPBESRZSA-N 1 1 251.395 2.547 50 0 CFAAMO Clc1ccc(OC2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000072152699 176327281 /nfs/dbraw/zinc/32/72/81/176327281.db2.gz YEIPBNXKHAHORT-ZDUSSCGKSA-N 1 1 294.826 2.793 50 0 CFAAMO C[N@H+]1CCC[C@@H](c2ccc(Br)cn2)C1 ZINC000072343672 176372071 /nfs/dbraw/zinc/37/20/71/176372071.db2.gz ZFGBADIVZVYYDX-SECBINFHSA-N 1 1 255.159 2.653 50 0 CFAAMO Cc1nnc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000076809471 177101808 /nfs/dbraw/zinc/10/18/08/177101808.db2.gz KRXPEHWZHYLIAU-GWCFXTLKSA-N 1 1 275.327 2.895 50 0 CFAAMO CC(C)c1nnc(C[N@H+](C(C)C)C2CCOCC2)o1 ZINC000077322900 177252436 /nfs/dbraw/zinc/25/24/36/177252436.db2.gz WZAHSZSVCJAWLN-UHFFFAOYSA-N 1 1 267.373 2.582 50 0 CFAAMO Cc1nc(C[N@H+]2CCCC[C@H]2CCn2cccn2)co1 ZINC000077407560 177263821 /nfs/dbraw/zinc/26/38/21/177263821.db2.gz HUTIPFVHSSNVPB-HNNXBMFYSA-N 1 1 274.368 2.624 50 0 CFAAMO COCCC[C@H]1CCCC[N@H+]1Cc1nc(C)cc(C)n1 ZINC000077405997 177264038 /nfs/dbraw/zinc/26/40/38/177264038.db2.gz JSDRQYLYCJDNMU-OAHLLOKOSA-N 1 1 277.412 2.875 50 0 CFAAMO COCC[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000077408604 177264518 /nfs/dbraw/zinc/26/45/18/177264518.db2.gz HZQCKESYJFHITP-UHFFFAOYSA-N 1 1 263.381 2.893 50 0 CFAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2CCc2ccccn2)c1 ZINC000077485136 177273714 /nfs/dbraw/zinc/27/37/14/177273714.db2.gz YYNBFDDWASCSSC-KRWDZBQOSA-N 1 1 284.407 2.765 50 0 CFAAMO c1cnn(CC[C@H]2CCCC[N@H+]2CCc2ccccn2)c1 ZINC000077485134 177273936 /nfs/dbraw/zinc/27/39/36/177273936.db2.gz YYNBFDDWASCSSC-QGZVFWFLSA-N 1 1 284.407 2.765 50 0 CFAAMO CCC[C@@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccsc1 ZINC000048071009 420501146 /nfs/dbraw/zinc/50/11/46/420501146.db2.gz RQLQRCDFNASVGX-GFCCVEGCSA-N 1 1 268.426 2.827 50 0 CFAAMO O=C1c2ccccc2C(=O)N1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004026538 275031271 /nfs/dbraw/zinc/03/12/71/275031271.db2.gz IJHKXSCEURLJGJ-XJKSGUPXSA-N 1 1 298.386 2.547 50 0 CFAAMO OCCC[N@@H+](Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000096455347 275045806 /nfs/dbraw/zinc/04/58/06/275045806.db2.gz PYPHIUMASGUVBX-SFHVURJKSA-N 1 1 282.387 2.954 50 0 CFAAMO CC(=O)c1c(F)cccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252667002 277102488 /nfs/dbraw/zinc/10/24/88/277102488.db2.gz FFCVUTOJTWDAFC-ZDUSSCGKSA-N 1 1 276.355 2.703 50 0 CFAAMO CC(=O)c1c(F)cccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252667002 277102489 /nfs/dbraw/zinc/10/24/89/277102489.db2.gz FFCVUTOJTWDAFC-ZDUSSCGKSA-N 1 1 276.355 2.703 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000253393297 277251657 /nfs/dbraw/zinc/25/16/57/277251657.db2.gz YZNGYNJFPLSVNR-ZBFHGGJFSA-N 1 1 263.381 2.733 50 0 CFAAMO COC(=O)CCCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000225519480 277315518 /nfs/dbraw/zinc/31/55/18/277315518.db2.gz HOSZLPBVIHSVMG-OAHLLOKOSA-N 1 1 261.365 2.949 50 0 CFAAMO CC[C@H]1C[N@@H+](CCSC(C)(C)C)C[C@@]2(CCOC2)O1 ZINC000252489599 288289878 /nfs/dbraw/zinc/28/98/78/288289878.db2.gz JUQMONLPBJRHHO-DZGCQCFKSA-N 1 1 287.469 2.788 50 0 CFAAMO Cc1cccc(-n2cnnc2[C@H](C)[NH+]2CCCC2)c1 ZINC000067784937 281188450 /nfs/dbraw/zinc/18/84/50/281188450.db2.gz XJEPTUIODLAFJK-ZDUSSCGKSA-N 1 1 256.353 2.733 50 0 CFAAMO c1coc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCOC2)c1 ZINC000243919620 328042154 /nfs/dbraw/zinc/04/21/54/328042154.db2.gz BPULISQAPGSPCB-AWEZNQCLSA-N 1 1 272.348 2.713 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CC(=O)NCCCOC1CCCCC1 ZINC000534648494 328343214 /nfs/dbraw/zinc/34/32/14/328343214.db2.gz OIKSYDBZVWECRF-HNNXBMFYSA-N 1 1 296.455 2.716 50 0 CFAAMO COc1ccnc(NC[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000534648390 328343421 /nfs/dbraw/zinc/34/34/21/328343421.db2.gz LGFHAKOXSRBOCI-ZDUSSCGKSA-N 1 1 290.411 2.552 50 0 CFAAMO Cc1ccc(C[NH2+]Cc2cncs2)c(N2CCCC2)n1 ZINC000096500615 534072797 /nfs/dbraw/zinc/07/27/97/534072797.db2.gz YKFDEZJBHLKCFX-UHFFFAOYSA-N 1 1 288.420 2.737 50 0 CFAAMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000005577896 534086365 /nfs/dbraw/zinc/08/63/65/534086365.db2.gz CKDSLRYVWLKERY-HZPDHXFCSA-N 1 1 277.408 2.918 50 0 CFAAMO CS[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069632992 518174588 /nfs/dbraw/zinc/17/45/88/518174588.db2.gz KBUJMPVQBSTYGX-GXTWGEPZSA-N 1 1 279.405 2.556 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@H+]2CCCSCC2)cc1C ZINC000096490467 534380165 /nfs/dbraw/zinc/38/01/65/534380165.db2.gz DUPCFXYEGYEMJX-NSHDSACASA-N 1 1 283.393 2.875 50 0 CFAAMO Cc1cnc(SCC[C@H]2CCCC[N@@H+]2C)nc1 ZINC000340675799 526102165 /nfs/dbraw/zinc/10/21/65/526102165.db2.gz LSOPNOZYANHBLR-GFCCVEGCSA-N 1 1 251.399 2.752 50 0 CFAAMO CC(C)[N@@H+]1Cc2cccc(NC(=O)Cc3cccnc3)c2C1 ZINC000096502605 529106447 /nfs/dbraw/zinc/10/64/47/529106447.db2.gz AIRRBUUKCRIXCF-UHFFFAOYSA-N 1 1 295.386 2.987 50 0 CFAAMO CC(C)[N@H+]1Cc2cccc(NC(=O)Cc3cccnc3)c2C1 ZINC000096502605 529106452 /nfs/dbraw/zinc/10/64/52/529106452.db2.gz AIRRBUUKCRIXCF-UHFFFAOYSA-N 1 1 295.386 2.987 50 0 CFAAMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(C)o1 ZINC000096461819 529286198 /nfs/dbraw/zinc/28/61/98/529286198.db2.gz UBTJLTUHWOXNMF-AWEZNQCLSA-N 1 1 286.379 2.609 50 0 CFAAMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(C)o1 ZINC000096461819 529286199 /nfs/dbraw/zinc/28/61/99/529286199.db2.gz UBTJLTUHWOXNMF-AWEZNQCLSA-N 1 1 286.379 2.609 50 0 CFAAMO CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2CC1 ZINC000946419867 613503631 /nfs/dbraw/zinc/50/36/31/613503631.db2.gz YFCSODKUGYJIJK-GASCZTMLSA-N 1 1 290.382 2.516 50 0 CFAAMO CCCCc1nc(CNC[C@@H]2CCCC[N@H+]2CC)c[nH]1 ZINC000952973758 614491037 /nfs/dbraw/zinc/49/10/37/614491037.db2.gz DOZDGAJISHAIIR-HNNXBMFYSA-N 1 1 278.444 2.716 50 0 CFAAMO CCCCc1ncc(C[NH2+]C[C@@H]2CCCCN2CC)[nH]1 ZINC000952973758 614491038 /nfs/dbraw/zinc/49/10/38/614491038.db2.gz DOZDGAJISHAIIR-HNNXBMFYSA-N 1 1 278.444 2.716 50 0 CFAAMO CCO[P@@](C)(=O)C[NH+](C)C[P@](C)(=O)OCC ZINC000022016593 617939233 /nfs/dbraw/zinc/93/92/33/617939233.db2.gz ZBEBMYYKVDEPRF-HZPDHXFCSA-N 1 1 271.234 2.722 50 0 CFAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCO)CCO2 ZINC000067713717 620218472 /nfs/dbraw/zinc/21/84/72/620218472.db2.gz XOEMSZBTFMOXLX-UHFFFAOYSA-N 1 1 299.370 2.554 50 0 CFAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCO)CCO2 ZINC000067713717 620218473 /nfs/dbraw/zinc/21/84/73/620218473.db2.gz XOEMSZBTFMOXLX-UHFFFAOYSA-N 1 1 299.370 2.554 50 0 CFAAMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@@H]([C@@H](O)c2ccccc2)C1 ZINC000008612852 620383704 /nfs/dbraw/zinc/38/37/04/620383704.db2.gz BGKCTMYJKSVGSD-QYZOEREBSA-N 1 1 297.398 2.560 50 0 CFAAMO C[N@@H+](CCC1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000173372307 623344892 /nfs/dbraw/zinc/34/48/92/623344892.db2.gz QXOHQRLOJMOBSK-OAHLLOKOSA-N 1 1 258.365 2.524 50 0 CFAAMO Cc1ccc(C[NH2+][C@@H](C)c2nncn2C)c2cccnc12 ZINC000952983669 626118620 /nfs/dbraw/zinc/11/86/20/626118620.db2.gz QIXVMJSJDVZDFX-LBPRGKRZSA-N 1 1 281.363 2.523 50 0 CFAAMO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000012075379 626236767 /nfs/dbraw/zinc/23/67/67/626236767.db2.gz LVKZJKWFZBPNJD-AWEZNQCLSA-N 1 1 287.388 2.843 50 0 CFAAMO c1ccc(C[N@H+](Cc2ncccn2)CC2CCOCC2)cc1 ZINC000192018878 650535248 /nfs/dbraw/zinc/53/52/48/650535248.db2.gz ROJFPVQHYFDOJH-UHFFFAOYSA-N 1 1 297.402 2.905 50 0 CFAAMO c1ccc(C[N@@H+](Cc2ncccn2)CC2CCOCC2)cc1 ZINC000192018878 650535254 /nfs/dbraw/zinc/53/52/54/650535254.db2.gz ROJFPVQHYFDOJH-UHFFFAOYSA-N 1 1 297.402 2.905 50 0 CFAAMO COc1cccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1F ZINC000192955009 650611890 /nfs/dbraw/zinc/61/18/90/650611890.db2.gz DHLPKDNSQKBKKX-LBPRGKRZSA-N 1 1 289.354 2.557 50 0 CFAAMO Nc1ncccc1C[NH2+]CC1(N2CCCCC2)CCCC1 ZINC000952990739 650791617 /nfs/dbraw/zinc/79/16/17/650791617.db2.gz XYLINDAVOIIYRX-UHFFFAOYSA-N 1 1 288.439 2.552 50 0 CFAAMO CCc1[nH+]ccn1Cc1ncnn1C1CCCCC1 ZINC000091794216 650908894 /nfs/dbraw/zinc/90/88/94/650908894.db2.gz NGLDZTINFPOZCL-UHFFFAOYSA-N 1 1 259.357 2.591 50 0 CFAAMO CN(C(=O)c1ccc2ccccc2c1O)[C@H]1CCC[N@@H+](C)C1 ZINC000123392453 647835428 /nfs/dbraw/zinc/83/54/28/647835428.db2.gz BUOIXNHTVJDKIA-AWEZNQCLSA-N 1 1 298.386 2.712 50 0 CFAAMO C[C@@]1(CO)CCC[N@@H+](Cc2cccc(-c3ncc[nH]3)c2)C1 ZINC000020587297 651299862 /nfs/dbraw/zinc/29/98/62/651299862.db2.gz BHRLTQPAZLROSW-QGZVFWFLSA-N 1 1 285.391 2.671 50 0 CFAAMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000675009932 775980426 /nfs/dbraw/zinc/98/04/26/775980426.db2.gz AVLAJQQNNYIGIA-SOLBZPMBSA-N 1 1 287.403 2.868 50 0 CFAAMO CSC[C@](C)(O)CNc1cc[nH+]c2ccsc21 ZINC000096453713 230376500 /nfs/dbraw/zinc/37/65/00/230376500.db2.gz NNQDSOOLDIVLJE-GFCCVEGCSA-N 1 1 268.407 2.822 50 0 CFAAMO Cc1ncsc1-c1nc(Cn2cc[nH+]c2C(C)C)no1 ZINC000096500022 230384272 /nfs/dbraw/zinc/38/42/72/230384272.db2.gz XBXUTAVKKUJPJM-UHFFFAOYSA-N 1 1 289.364 2.870 50 0 CFAAMO COc1cc(NC(=O)NCC[C@H]2CCC[N@H+]2C)ccc1C ZINC000095504264 185000290 /nfs/dbraw/zinc/00/02/90/185000290.db2.gz HWRPBXMTHVRAQM-CQSZACIVSA-N 1 1 291.395 2.609 50 0 CFAAMO Cc1ccccc1OC[C@@H](O)Cn1cc[nH+]c1C(C)C ZINC000270085771 190596457 /nfs/dbraw/zinc/59/64/57/190596457.db2.gz HLTIETGGOPIIAU-AWEZNQCLSA-N 1 1 274.364 2.755 50 0 CFAAMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095725483 185021743 /nfs/dbraw/zinc/02/17/43/185021743.db2.gz JYKKEFNKRYSTNF-AWEZNQCLSA-N 1 1 261.365 2.850 50 0 CFAAMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCNC1=O ZINC000095978650 185051864 /nfs/dbraw/zinc/05/18/64/185051864.db2.gz MSFGSTNZMSWQBC-GFCCVEGCSA-N 1 1 287.190 2.704 50 0 CFAAMO CC[C@H]([NH2+]CC(=O)N(C)C)c1ccccc1Br ZINC000095985892 185056253 /nfs/dbraw/zinc/05/62/53/185056253.db2.gz UCJIMRNJENGHIB-LBPRGKRZSA-N 1 1 299.212 2.578 50 0 CFAAMO Cc1cc([NH+](C)C)cc(C)c1NCc1ccnn1C ZINC000096004397 185061896 /nfs/dbraw/zinc/06/18/96/185061896.db2.gz REYDVUYEHVLDQG-UHFFFAOYSA-N 1 1 258.369 2.715 50 0 CFAAMO C[C@@H](O)[C@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002369 185061955 /nfs/dbraw/zinc/06/19/55/185061955.db2.gz NALGQDMSRZWWHE-MNOVXSKESA-N 1 1 278.377 2.606 50 0 CFAAMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002369 185061959 /nfs/dbraw/zinc/06/19/59/185061959.db2.gz NALGQDMSRZWWHE-MNOVXSKESA-N 1 1 278.377 2.606 50 0 CFAAMO c1cc2cccc(-c3cccc(C[NH+]4CCOCC4)c3)n2n1 ZINC000096130407 185103571 /nfs/dbraw/zinc/10/35/71/185103571.db2.gz FNHUOMRNVOIINK-UHFFFAOYSA-N 1 1 293.370 2.834 50 0 CFAAMO CC[N@H+]1CC[C@@H](c2nc(-c3ccncc3)nn2C(C)C)C1 ZINC000096148108 185106938 /nfs/dbraw/zinc/10/69/38/185106938.db2.gz NARJJSDQFKDVJU-CQSZACIVSA-N 1 1 285.395 2.730 50 0 CFAAMO CC(C)OC[C@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000096990504 185148372 /nfs/dbraw/zinc/14/83/72/185148372.db2.gz ZNXPKNMBGVPEMW-CQSZACIVSA-N 1 1 293.363 2.661 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000097033841 185155617 /nfs/dbraw/zinc/15/56/17/185155617.db2.gz HLNWPYDVTZYJPS-INIZCTEOSA-N 1 1 274.408 2.565 50 0 CFAAMO CSc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000000209969 539376716 /nfs/dbraw/zinc/37/67/16/539376716.db2.gz RZUHXZACPYLNOG-ZDUSSCGKSA-N 1 1 251.395 2.755 50 0 CFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(F)(F)F ZINC000005730637 346212363 /nfs/dbraw/zinc/21/23/63/346212363.db2.gz BUKDWQICSAAFJH-DGCLKSJQSA-N 1 1 298.308 2.692 50 0 CFAAMO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000023280973 346252499 /nfs/dbraw/zinc/25/24/99/346252499.db2.gz KXXBXOMXZIEWMU-NSHDSACASA-N 1 1 273.298 2.969 50 0 CFAAMO Cc1ccsc1C[NH+]1CCC(c2n[nH]c(C)n2)CC1 ZINC000065287286 346732560 /nfs/dbraw/zinc/73/25/60/346732560.db2.gz JGTLALGITBLBPV-UHFFFAOYSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccsc1C[NH+]1CCC(c2nnc(C)[nH]2)CC1 ZINC000065287286 346732561 /nfs/dbraw/zinc/73/25/61/346732561.db2.gz JGTLALGITBLBPV-UHFFFAOYSA-N 1 1 276.409 2.863 50 0 CFAAMO Clc1cncc(N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000076062998 347117810 /nfs/dbraw/zinc/11/78/10/347117810.db2.gz VLFBTKUZPQCSJI-SNVBAGLBSA-N 1 1 266.776 2.559 50 0 CFAAMO CC[C@@H]1[C@@H](c2ccc(C)cc2)CC[N@H+]1CCS(C)(=O)=O ZINC000076109598 347120608 /nfs/dbraw/zinc/12/06/08/347120608.db2.gz IWYKNTXKYRUWQT-HZPDHXFCSA-N 1 1 295.448 2.608 50 0 CFAAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000076147679 347125217 /nfs/dbraw/zinc/12/52/17/347125217.db2.gz AVULZBVBSGDUSY-KBPBESRZSA-N 1 1 250.411 2.840 50 0 CFAAMO C[N@@H+](Cc1c(F)cccc1F)C[C@H]1CCC[C@@H]1O ZINC000091899994 347602249 /nfs/dbraw/zinc/60/22/49/347602249.db2.gz MCHXOEMBHLMJIY-YGRLFVJLSA-N 1 1 255.308 2.558 50 0 CFAAMO C[N@H+](Cc1c(F)cccc1F)C[C@H]1CCC[C@@H]1O ZINC000091899994 347602253 /nfs/dbraw/zinc/60/22/53/347602253.db2.gz MCHXOEMBHLMJIY-YGRLFVJLSA-N 1 1 255.308 2.558 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)C[N@H+](C)C[C@@H]1CC ZINC000095882804 347699114 /nfs/dbraw/zinc/69/91/14/347699114.db2.gz VFVRCUAINDTTOF-XJKSGUPXSA-N 1 1 261.365 2.807 50 0 CFAAMO C[NH2+][C@@]1(c2cccc(OC)c2Cl)CCCCC1=O ZINC000096027261 347700389 /nfs/dbraw/zinc/70/03/89/347700389.db2.gz SAXUVFITUZDVNJ-CQSZACIVSA-N 1 1 267.756 2.906 50 0 CFAAMO COC(=O)CC[N@@H+](C)[C@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000096027323 347700392 /nfs/dbraw/zinc/70/03/92/347700392.db2.gz NSPIHLJDVJDQKM-HOTGVXAUSA-N 1 1 291.391 2.872 50 0 CFAAMO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2sccc2C)o1 ZINC000097373983 347709167 /nfs/dbraw/zinc/70/91/67/347709167.db2.gz WQWUBKTZEFGONC-GFCCVEGCSA-N 1 1 292.404 2.925 50 0 CFAAMO Cc1ncsc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000093388111 347672246 /nfs/dbraw/zinc/67/22/46/347672246.db2.gz ZREHGXJZBPQZBH-OAHLLOKOSA-N 1 1 288.416 2.933 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2[C@H](C)c2cccnc2)n1 ZINC000106908036 347733434 /nfs/dbraw/zinc/73/34/34/347733434.db2.gz ADJDLQBEQVLNMY-MLGOLLRUSA-N 1 1 285.395 2.516 50 0 CFAAMO CC(=O)N1CCC([C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000169789072 348052381 /nfs/dbraw/zinc/05/23/81/348052381.db2.gz BESKPMMYSPWQSM-HNNXBMFYSA-N 1 1 264.413 2.509 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)c2cccs2)n1CC1CC1 ZINC000169791982 348052656 /nfs/dbraw/zinc/05/26/56/348052656.db2.gz PMMUGWVRABTNOD-UHFFFAOYSA-N 1 1 289.404 2.636 50 0 CFAAMO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ncc[nH]1 ZINC000225632537 348178274 /nfs/dbraw/zinc/17/82/74/348178274.db2.gz WGXKJOJWSDGHOM-ZDUSSCGKSA-N 1 1 285.395 2.646 50 0 CFAAMO C(=C\c1cccnc1)\c1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000221758064 348171986 /nfs/dbraw/zinc/17/19/86/348171986.db2.gz MRWWCCVPDKBIQQ-WSROAFLRSA-N 1 1 270.336 2.840 50 0 CFAAMO Cc1cnc(C2CC2)n1[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000409421095 348600733 /nfs/dbraw/zinc/60/07/33/348600733.db2.gz HIYRTICAPBLHOZ-INIZCTEOSA-N 1 1 282.391 2.911 50 0 CFAAMO Cc1cnc(C2CC2)n1[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000409421095 348600737 /nfs/dbraw/zinc/60/07/37/348600737.db2.gz HIYRTICAPBLHOZ-INIZCTEOSA-N 1 1 282.391 2.911 50 0 CFAAMO CCc1nccn1C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888429 348727973 /nfs/dbraw/zinc/72/79/73/348727973.db2.gz LQQODAVKSSNJCH-OAHLLOKOSA-N 1 1 286.423 2.978 50 0 CFAAMO Cc1[nH]c2c([nH+]1)CCN(Cc1ccc(Cl)o1)C2 ZINC000584891474 348729096 /nfs/dbraw/zinc/72/90/96/348729096.db2.gz KIIQSSXKVZIOIG-UHFFFAOYSA-N 1 1 251.717 2.523 50 0 CFAAMO COc1ccc2nc(C[NH2+][C@@H]3CCCSC3)[nH]c2c1 ZINC000584892041 348729271 /nfs/dbraw/zinc/72/92/71/348729271.db2.gz WUKLBEZRBBXRQY-SNVBAGLBSA-N 1 1 277.393 2.557 50 0 CFAAMO Nc1cc[nH+]c(NCC2(c3cccc(F)c3)CCCC2)n1 ZINC000584897416 348730769 /nfs/dbraw/zinc/73/07/69/348730769.db2.gz HCVIFPOKFIPSLN-UHFFFAOYSA-N 1 1 286.354 2.952 50 0 CFAAMO Cc1cc(CNC(=O)[C@@H](C)[N@@H+](C)C2CCCCC2)ccn1 ZINC000584900933 348732730 /nfs/dbraw/zinc/73/27/30/348732730.db2.gz OHIUAMRZFSITCT-CQSZACIVSA-N 1 1 289.423 2.659 50 0 CFAAMO OCc1ccc2c(c1)C[N@@H+](C1Cc3ccccc3C1)CCO2 ZINC000584901040 348732857 /nfs/dbraw/zinc/73/28/57/348732857.db2.gz UHHOHGUGKZJURI-UHFFFAOYSA-N 1 1 295.382 2.541 50 0 CFAAMO CC(=O)c1cc2c(ccnc2N2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000585134713 348735461 /nfs/dbraw/zinc/73/54/61/348735461.db2.gz HIBFDHYARUQGPD-CYBMUJFWSA-N 1 1 299.374 2.705 50 0 CFAAMO CC(=O)c1cc2c(ccnc2N2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000585134713 348735462 /nfs/dbraw/zinc/73/54/62/348735462.db2.gz HIBFDHYARUQGPD-CYBMUJFWSA-N 1 1 299.374 2.705 50 0 CFAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000585141170 348737294 /nfs/dbraw/zinc/73/72/94/348737294.db2.gz QQGOSDIVRMIIEX-CHWSQXEVSA-N 1 1 295.452 2.660 50 0 CFAAMO Clc1ccccc1OCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090772481 180037636 /nfs/dbraw/zinc/03/76/36/180037636.db2.gz ABTYTCCTLAHUKK-UONOGXRCSA-N 1 1 294.826 2.935 50 0 CFAAMO Clc1ccccc1OCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090772481 180037637 /nfs/dbraw/zinc/03/76/37/180037637.db2.gz ABTYTCCTLAHUKK-UONOGXRCSA-N 1 1 294.826 2.935 50 0 CFAAMO CCc1cc(C[NH2+]Cc2cc(=O)c3cc(C)ccc3[nH]2)on1 ZINC000091326165 180135032 /nfs/dbraw/zinc/13/50/32/180135032.db2.gz HBVDCFVOOLNLQN-UHFFFAOYSA-N 1 1 297.358 2.677 50 0 CFAAMO CCc1[nH+]ccn1CCCNc1nc(C)nc(C)c1C ZINC000091587173 180200749 /nfs/dbraw/zinc/20/07/49/180200749.db2.gz GDBCFBPILLFRMO-UHFFFAOYSA-N 1 1 273.384 2.663 50 0 CFAAMO Cc1cc(NCC[NH+]2CCCC2)nc(-c2ccccc2O)n1 ZINC000091594116 180201420 /nfs/dbraw/zinc/20/14/20/180201420.db2.gz XQQWQAFAFOFSKO-UHFFFAOYSA-N 1 1 298.390 2.665 50 0 CFAAMO OCc1ccc(C[C@@H]2CC[N@@H+](Cc3ccoc3)C2)cc1 ZINC000091664304 180221347 /nfs/dbraw/zinc/22/13/47/180221347.db2.gz GCVOVORMBJVVNX-INIZCTEOSA-N 1 1 271.360 2.837 50 0 CFAAMO Cc1cc(C(F)(F)F)cc(N2C[C@@H](C)[C@@](C)(O)C2)[nH+]1 ZINC000091707245 180230322 /nfs/dbraw/zinc/23/03/22/180230322.db2.gz QLJOWKXRBRKHFC-PELKAZGASA-N 1 1 274.286 2.616 50 0 CFAAMO C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCCO1 ZINC000092427380 180383701 /nfs/dbraw/zinc/38/37/01/180383701.db2.gz VMMYSXSKVOPLCK-QGZVFWFLSA-N 1 1 285.391 2.873 50 0 CFAAMO Cc1ccc(OCC[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000107695555 186187043 /nfs/dbraw/zinc/18/70/43/186187043.db2.gz IFNLMQBBIBIFOP-HNNXBMFYSA-N 1 1 263.381 2.732 50 0 CFAAMO Cc1ccc(CCCC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000108158511 186207479 /nfs/dbraw/zinc/20/74/79/186207479.db2.gz JYUPEARTTUDPCL-JKSUJKDBSA-N 1 1 288.435 2.869 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC000103703326 539880536 /nfs/dbraw/zinc/88/05/36/539880536.db2.gz SKBVMUNSWDQPKD-WBTMPAOCSA-N 1 1 276.380 2.529 50 0 CFAAMO C[C@H](N)C[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC000409420690 539992376 /nfs/dbraw/zinc/99/23/76/539992376.db2.gz FETABIQTJHAXNZ-ZDUSSCGKSA-N 1 1 250.462 2.713 50 0 CFAAMO C[C@H]([NH3+])CN(Cc1ccccc1)C[Si](C)(C)C ZINC000409420690 539992380 /nfs/dbraw/zinc/99/23/80/539992380.db2.gz FETABIQTJHAXNZ-ZDUSSCGKSA-N 1 1 250.462 2.713 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NCC2(C)CCOCC2)cn1 ZINC000158673611 188388454 /nfs/dbraw/zinc/38/84/54/188388454.db2.gz XCQPANOMLZKLEH-UHFFFAOYSA-N 1 1 286.379 2.804 50 0 CFAAMO O[C@H]1C[C@@H](C2CCCCC2)[N@@H+](Cc2ccncc2)C1 ZINC000685939493 540020311 /nfs/dbraw/zinc/02/03/11/540020311.db2.gz XJAYRKLRCBTBSG-HOTGVXAUSA-N 1 1 260.381 2.597 50 0 CFAAMO O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000685939706 540020356 /nfs/dbraw/zinc/02/03/56/540020356.db2.gz FSRNLNFGTHULGV-BMGDILEWSA-N 1 1 299.418 2.977 50 0 CFAAMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)c1cnccn1)CC2 ZINC000239653706 540042089 /nfs/dbraw/zinc/04/20/89/540042089.db2.gz BKVLCADQPZRCMQ-CYBMUJFWSA-N 1 1 295.386 2.841 50 0 CFAAMO CSCCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000173553779 188859554 /nfs/dbraw/zinc/85/95/54/188859554.db2.gz UNDNLBGLDVBHEY-UHFFFAOYSA-N 1 1 264.438 2.952 50 0 CFAAMO Cc1ncc(CNC[C@@H](C)[N@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022218 540191939 /nfs/dbraw/zinc/19/19/39/540191939.db2.gz AZIMCQWASXGDAX-CQSZACIVSA-N 1 1 298.434 2.753 50 0 CFAAMO Cc1ncc(CNC[C@@H](C)[N@@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022218 540191943 /nfs/dbraw/zinc/19/19/43/540191943.db2.gz AZIMCQWASXGDAX-CQSZACIVSA-N 1 1 298.434 2.753 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](CCc3scnc3C)C2)[nH]n1 ZINC000084111225 540194363 /nfs/dbraw/zinc/19/43/63/540194363.db2.gz ORVYWQAGUQTQDD-ZDUSSCGKSA-N 1 1 290.436 2.905 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](CCc3scnc3C)C2)n[nH]1 ZINC000084111225 540194364 /nfs/dbraw/zinc/19/43/64/540194364.db2.gz ORVYWQAGUQTQDD-ZDUSSCGKSA-N 1 1 290.436 2.905 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](CCc3scnc3C)C2)n[nH]1 ZINC000084111225 540194366 /nfs/dbraw/zinc/19/43/66/540194366.db2.gz ORVYWQAGUQTQDD-ZDUSSCGKSA-N 1 1 290.436 2.905 50 0 CFAAMO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](CC3CCCC3)C2)o1 ZINC000084258811 540197862 /nfs/dbraw/zinc/19/78/62/540197862.db2.gz BDYXNBISACXSQT-OAHLLOKOSA-N 1 1 277.412 2.679 50 0 CFAAMO CC[N@@H+](CCNC(=O)N(C)[C@H](C)CC(C)C)C(C)C ZINC000084774762 540208319 /nfs/dbraw/zinc/20/83/19/540208319.db2.gz IZSAKBBVOCUXPQ-CQSZACIVSA-N 1 1 271.449 2.793 50 0 CFAAMO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C[C@@H]1C ZINC000253618397 540561124 /nfs/dbraw/zinc/56/11/24/540561124.db2.gz YKLWOBFFFWQBEX-BPUTZDHNSA-N 1 1 293.455 2.833 50 0 CFAAMO CCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000169980672 540550781 /nfs/dbraw/zinc/55/07/81/540550781.db2.gz RGLOODSSLQHAQE-CYBMUJFWSA-N 1 1 263.385 2.799 50 0 CFAAMO CC[C@@H]([NH2+]Cc1ccon1)c1ccc2c(c1)OCCO2 ZINC000178262429 189101143 /nfs/dbraw/zinc/10/11/43/189101143.db2.gz OPFPANMXUGWYMO-CYBMUJFWSA-N 1 1 274.320 2.687 50 0 CFAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCC(O)CC1 ZINC000012980275 540926152 /nfs/dbraw/zinc/92/61/52/540926152.db2.gz KPXBRRGXSJVESH-GFCCVEGCSA-N 1 1 286.375 2.504 50 0 CFAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2ccccc2o1 ZINC000670437338 540993913 /nfs/dbraw/zinc/99/39/13/540993913.db2.gz BUSRIYJEPGUJTR-NEPJUHHUSA-N 1 1 257.337 2.501 50 0 CFAAMO C[N@@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@H]1CCCOC1 ZINC000670439153 540995095 /nfs/dbraw/zinc/99/50/95/540995095.db2.gz QGAPBDUWJKCLRY-GFCCVEGCSA-N 1 1 291.370 2.603 50 0 CFAAMO C[N@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@H]1CCCOC1 ZINC000670439153 540995099 /nfs/dbraw/zinc/99/50/99/540995099.db2.gz QGAPBDUWJKCLRY-GFCCVEGCSA-N 1 1 291.370 2.603 50 0 CFAAMO C[N@@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@H]1CCCOC1 ZINC000670439153 540995102 /nfs/dbraw/zinc/99/51/02/540995102.db2.gz QGAPBDUWJKCLRY-GFCCVEGCSA-N 1 1 291.370 2.603 50 0 CFAAMO Clc1ccc([C@@H]2CCC[N@@H+](CCn3cnnc3)C2)cc1 ZINC000670440841 540995748 /nfs/dbraw/zinc/99/57/48/540995748.db2.gz HUNIENPASMRLKW-CQSZACIVSA-N 1 1 290.798 2.811 50 0 CFAAMO CNC(=O)C[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000670442951 540996770 /nfs/dbraw/zinc/99/67/70/540996770.db2.gz KSDFOHYPYMYBJT-OAHLLOKOSA-N 1 1 266.429 2.805 50 0 CFAAMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cnccc2Cl)C1 ZINC000670444883 540997291 /nfs/dbraw/zinc/99/72/91/540997291.db2.gz XELXTHIUMQIIKG-GFCCVEGCSA-N 1 1 268.788 2.718 50 0 CFAAMO CC(C)C/C=C(\C[N@@H+]1CCCNC(=O)C1)c1ccccc1 ZINC000670448682 540997783 /nfs/dbraw/zinc/99/77/83/540997783.db2.gz PWEKXQFZLGOUJH-LICLKQGHSA-N 1 1 286.419 2.938 50 0 CFAAMO CC(C)C/C=C(\C[N@H+]1CCCNC(=O)C1)c1ccccc1 ZINC000670448682 540997784 /nfs/dbraw/zinc/99/77/84/540997784.db2.gz PWEKXQFZLGOUJH-LICLKQGHSA-N 1 1 286.419 2.938 50 0 CFAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCc1cc2ccccc2[nH]1 ZINC000670447980 540998423 /nfs/dbraw/zinc/99/84/23/540998423.db2.gz DZNMKSLAXOVRMS-GFCCVEGCSA-N 1 1 296.374 2.940 50 0 CFAAMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000670449783 540998719 /nfs/dbraw/zinc/99/87/19/540998719.db2.gz JSCAIWQGSPUXNL-AWEZNQCLSA-N 1 1 286.379 2.583 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CN1CC(Oc2ccc(C)cc2)C1 ZINC000670460705 541002805 /nfs/dbraw/zinc/00/28/05/541002805.db2.gz HHAIPRFVZQSIRT-OAHLLOKOSA-N 1 1 274.408 2.542 50 0 CFAAMO C[C@H](Cc1ccco1)[NH2+]CCN[C@@H](C)Cc1ccco1 ZINC000670419698 540986022 /nfs/dbraw/zinc/98/60/22/540986022.db2.gz SPMDNYXDURKJLL-OKILXGFUSA-N 1 1 276.380 2.614 50 0 CFAAMO COc1cc(SC)c(OC)cc1C[N@H+]1CC[C@@H](OC)C1 ZINC000670462532 541004685 /nfs/dbraw/zinc/00/46/85/541004685.db2.gz ZGCGWGCZGSZAOJ-GFCCVEGCSA-N 1 1 297.420 2.646 50 0 CFAAMO COc1cc(SC)c(OC)cc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000670462532 541004687 /nfs/dbraw/zinc/00/46/87/541004687.db2.gz ZGCGWGCZGSZAOJ-GFCCVEGCSA-N 1 1 297.420 2.646 50 0 CFAAMO Cc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465616 541006376 /nfs/dbraw/zinc/00/63/76/541006376.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 1 1 298.434 2.672 50 0 CFAAMO Cc1cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000670465616 541006378 /nfs/dbraw/zinc/00/63/78/541006378.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 1 1 298.434 2.672 50 0 CFAAMO Cc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000670465616 541006380 /nfs/dbraw/zinc/00/63/80/541006380.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 1 1 298.434 2.672 50 0 CFAAMO Cc1ncc(C(C)C)c(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000823770658 781937506 /nfs/dbraw/zinc/93/75/06/781937506.db2.gz YHWRVALXDUMOJR-ZDUSSCGKSA-N 1 1 262.401 2.662 50 0 CFAAMO C[N@H+]1CCC[C@H](c2nnc3sc(-c4ccccc4)nn32)C1 ZINC000823771411 781937848 /nfs/dbraw/zinc/93/78/48/781937848.db2.gz CLDRWCGQKNQKQE-LBPRGKRZSA-N 1 1 299.403 2.662 50 0 CFAAMO C[N@H+]1CCC[C@@H](c2nnc3sc(-c4ccccc4)nn32)C1 ZINC000823771410 781938359 /nfs/dbraw/zinc/93/83/59/781938359.db2.gz CLDRWCGQKNQKQE-GFCCVEGCSA-N 1 1 299.403 2.662 50 0 CFAAMO c1ccc(C[N@H+]2CCCN(c3nc(C4CC4)no3)CC2)cc1 ZINC000076683001 541323245 /nfs/dbraw/zinc/32/32/45/541323245.db2.gz GJPRYCORVPIAND-UHFFFAOYSA-N 1 1 298.390 2.659 50 0 CFAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N)CC2 ZINC000000002825 371508221 /nfs/dbraw/zinc/50/82/21/371508221.db2.gz OPWKKFLSNMZGEV-UHFFFAOYSA-N 1 1 298.386 2.844 50 0 CFAAMO N=C1NC(Nc2ccc(Cl)cc2)=[NH+]C2(CCCCC2)N1 ZINC000000203755 371557591 /nfs/dbraw/zinc/55/75/91/371557591.db2.gz YAARVULYILDNGZ-UHFFFAOYSA-N 1 1 291.786 2.686 50 0 CFAAMO COc1ccc(CC[N@@H+]2CCC(=O)[C@H](C)[C@H]2C)cc1OC ZINC000000112528 371532940 /nfs/dbraw/zinc/53/29/40/371532940.db2.gz PTKVNRIUQDVVDK-CHWSQXEVSA-N 1 1 291.391 2.546 50 0 CFAAMO COc1ccc(CC[N@H+]2CCC(=O)[C@H](C)[C@H]2C)cc1OC ZINC000000112528 371532943 /nfs/dbraw/zinc/53/29/43/371532943.db2.gz PTKVNRIUQDVVDK-CHWSQXEVSA-N 1 1 291.391 2.546 50 0 CFAAMO Cc1c(C[N@@H+]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000000183144 371551868 /nfs/dbraw/zinc/55/18/68/371551868.db2.gz UBOCNBKJCORLRE-CQSZACIVSA-N 1 1 299.418 2.859 50 0 CFAAMO [NH3+][C@@H](c1ccccc1)[P@](=O)([O-])[C@H]([NH3+])c1ccccc1 ZINC000000186739 371553463 /nfs/dbraw/zinc/55/34/63/371553463.db2.gz GDRKYOFXBSKACL-OKILXGFUSA-N 1 1 276.276 2.572 50 0 CFAAMO OC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000000209889 371559658 /nfs/dbraw/zinc/55/96/58/371559658.db2.gz NNCCGRZZHNOZLE-SNVBAGLBSA-N 1 1 290.226 2.857 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1cc(Br)cs1 ZINC000000209889 371559662 /nfs/dbraw/zinc/55/96/62/371559662.db2.gz NNCCGRZZHNOZLE-SNVBAGLBSA-N 1 1 290.226 2.857 50 0 CFAAMO CCCN1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000000217692 371560598 /nfs/dbraw/zinc/56/05/98/371560598.db2.gz ABEBLKYZQXUPCF-UHFFFAOYSA-N 1 1 250.361 2.790 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000000237112 371564505 /nfs/dbraw/zinc/56/45/05/371564505.db2.gz VUWRDFUUSQZNNM-OAHLLOKOSA-N 1 1 292.398 2.906 50 0 CFAAMO Cc1cc(Nc2cccc(F)c2)nc(N2CCOCC2)[nH+]1 ZINC000000510195 371633512 /nfs/dbraw/zinc/63/35/12/371633512.db2.gz JDYPUZAQLSRMTB-UHFFFAOYSA-N 1 1 288.326 2.504 50 0 CFAAMO Cc1ccc2c(C[NH2+]Cc3ccco3)cc(=O)oc2c1 ZINC000000537123 371637197 /nfs/dbraw/zinc/63/71/97/371637197.db2.gz RACFCSDPSXVQGR-UHFFFAOYSA-N 1 1 269.300 2.984 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000567956 371640133 /nfs/dbraw/zinc/64/01/33/371640133.db2.gz KXDGCQBVVILKGW-OCCSQVGLSA-N 1 1 283.799 2.954 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000000753257 371646863 /nfs/dbraw/zinc/64/68/63/371646863.db2.gz XDNLUYNNTQXVES-GFCCVEGCSA-N 1 1 284.197 2.653 50 0 CFAAMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000002169557 371718588 /nfs/dbraw/zinc/71/85/88/371718588.db2.gz PHOIDJGLYWEUEK-AWEZNQCLSA-N 1 1 276.380 2.786 50 0 CFAAMO C[C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000002484369 371728387 /nfs/dbraw/zinc/72/83/87/371728387.db2.gz BMXPXGQKTHPCSB-HNNXBMFYSA-N 1 1 273.424 2.778 50 0 CFAAMO Cc1cc(C)n2cc(C[N@@H+](C)Cc3ccccc3)nc2n1 ZINC000003356606 371795272 /nfs/dbraw/zinc/79/52/72/371795272.db2.gz WFXFFCFEDIZAGA-UHFFFAOYSA-N 1 1 280.375 2.978 50 0 CFAAMO Cc1cc(C)n2cc(C[N@H+](C)Cc3ccccc3)nc2n1 ZINC000003356606 371795279 /nfs/dbraw/zinc/79/52/79/371795279.db2.gz WFXFFCFEDIZAGA-UHFFFAOYSA-N 1 1 280.375 2.978 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000004144219 371835707 /nfs/dbraw/zinc/83/57/07/371835707.db2.gz OBVOCZTXJINSPD-JSGCOSHPSA-N 1 1 283.799 2.812 50 0 CFAAMO COc1ccccc1C(=O)O[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000003901937 371824223 /nfs/dbraw/zinc/82/42/23/371824223.db2.gz KTZCSPSWFXRDPE-TYNCELHUSA-N 1 1 277.364 2.581 50 0 CFAAMO Cc1cc(C)c2c(=O)[nH]n([C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2n1 ZINC000005179477 371879881 /nfs/dbraw/zinc/87/98/81/371879881.db2.gz DNSOMCZSWHTTIF-WCFLWFBJSA-N 1 1 288.395 2.655 50 0 CFAAMO COCC[N@H+](Cc1nc(-c2ccccc2)no1)C(C)C ZINC000012049245 371942418 /nfs/dbraw/zinc/94/24/18/371942418.db2.gz FWHRNWNAIDDFSF-UHFFFAOYSA-N 1 1 275.352 2.593 50 0 CFAAMO COCC[N@@H+](Cc1nc(-c2ccccc2)no1)C(C)C ZINC000012049245 371942422 /nfs/dbraw/zinc/94/24/22/371942422.db2.gz FWHRNWNAIDDFSF-UHFFFAOYSA-N 1 1 275.352 2.593 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000007636272 371895397 /nfs/dbraw/zinc/89/53/97/371895397.db2.gz ABONSXHZHXQBBR-LSDHHAIUSA-N 1 1 263.381 2.609 50 0 CFAAMO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)sc1C ZINC000010290994 371905667 /nfs/dbraw/zinc/90/56/67/371905667.db2.gz YZVYHNVVPFVMCZ-NSHDSACASA-N 1 1 281.425 2.819 50 0 CFAAMO C[C@@H]1CCC[C@H]1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000010434844 371907901 /nfs/dbraw/zinc/90/79/01/371907901.db2.gz KSIMRCJXVNOUTP-ZTFGCOKTSA-N 1 1 289.419 2.611 50 0 CFAAMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000011774880 371929662 /nfs/dbraw/zinc/92/96/62/371929662.db2.gz VTDCJYIVWDJSRB-INIZCTEOSA-N 1 1 298.390 2.685 50 0 CFAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC2)cc1 ZINC000012917867 371999543 /nfs/dbraw/zinc/99/95/43/371999543.db2.gz XWBOTYSMOHZKPL-INIZCTEOSA-N 1 1 288.391 2.501 50 0 CFAAMO Clc1cccc([C@H]2[NH2+]CCc3nc[nH]c32)c1Cl ZINC000012243801 371950949 /nfs/dbraw/zinc/95/09/49/371950949.db2.gz LUTMJVYTDHJUIF-LLVKDONJSA-N 1 1 268.147 2.952 50 0 CFAAMO Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000012363274 371955187 /nfs/dbraw/zinc/95/51/87/371955187.db2.gz TZMCGWUPMHQRQA-GASCZTMLSA-N 1 1 290.407 2.741 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013424572 372026057 /nfs/dbraw/zinc/02/60/57/372026057.db2.gz GDGJJJMFINQFHI-HEHGZKQESA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013424572 372026066 /nfs/dbraw/zinc/02/60/66/372026066.db2.gz GDGJJJMFINQFHI-HEHGZKQESA-N 1 1 262.397 2.514 50 0 CFAAMO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000013424572 372026070 /nfs/dbraw/zinc/02/60/70/372026070.db2.gz GDGJJJMFINQFHI-HEHGZKQESA-N 1 1 262.397 2.514 50 0 CFAAMO CC(C)[C@H](CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000013687469 372040725 /nfs/dbraw/zinc/04/07/25/372040725.db2.gz XXOXCDDJIVFSLB-INIZCTEOSA-N 1 1 274.408 2.590 50 0 CFAAMO CC[N@H+]1CCC[C@H]1Cn1sc2ccccc2c1=O ZINC000013833684 372051772 /nfs/dbraw/zinc/05/17/72/372051772.db2.gz IOHBIRVTJUGAEU-NSHDSACASA-N 1 1 262.378 2.547 50 0 CFAAMO OC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000016338489 372105311 /nfs/dbraw/zinc/10/53/11/372105311.db2.gz OMCDHXCOIUJJBG-UHFFFAOYSA-N 1 1 292.766 2.952 50 0 CFAAMO CC(=O)c1ccccc1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489291 372108991 /nfs/dbraw/zinc/10/89/91/372108991.db2.gz YRNSWJKBRZCTGV-OKILXGFUSA-N 1 1 291.391 2.767 50 0 CFAAMO CC(=O)c1ccccc1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489291 372108998 /nfs/dbraw/zinc/10/89/98/372108998.db2.gz YRNSWJKBRZCTGV-OKILXGFUSA-N 1 1 291.391 2.767 50 0 CFAAMO O[C@H](COC1CCCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000016576907 372110353 /nfs/dbraw/zinc/11/03/53/372110353.db2.gz VIKHUBRGROKZIG-KRWDZBQOSA-N 1 1 289.419 2.755 50 0 CFAAMO CCCCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016580502 372111990 /nfs/dbraw/zinc/11/19/90/372111990.db2.gz GQONDJOYZFQQSD-UHFFFAOYSA-N 1 1 274.408 2.564 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccco1)[C@H]1CCCc2ccccc21 ZINC000016694529 372117375 /nfs/dbraw/zinc/11/73/75/372117375.db2.gz BBJVFLNPYONBKP-KRWDZBQOSA-N 1 1 298.386 2.905 50 0 CFAAMO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000016335515 372103670 /nfs/dbraw/zinc/10/36/70/372103670.db2.gz IGQOGXZLYQEXHB-XQQFMLRXSA-N 1 1 280.437 2.731 50 0 CFAAMO COc1ccc2ccccc2c1C[NH+]1CCN(C)CC1 ZINC000019359106 372156996 /nfs/dbraw/zinc/15/69/96/372156996.db2.gz VTTVSXRLXLDZGK-UHFFFAOYSA-N 1 1 270.376 2.596 50 0 CFAAMO C[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccccc1 ZINC000019608915 372178531 /nfs/dbraw/zinc/17/85/31/372178531.db2.gz TYUSYUDHDKOXIA-MRXNPFEDSA-N 1 1 259.324 2.991 50 0 CFAAMO COc1ccc2ccccc2c1CN1CCC[N@@H+](C)CC1 ZINC000019632968 372178946 /nfs/dbraw/zinc/17/89/46/372178946.db2.gz DUIQNQBVGGSWJS-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO COc1ccc2ccccc2c1C[N@@H+]1CCCN(C)CC1 ZINC000019632968 372178948 /nfs/dbraw/zinc/17/89/48/372178948.db2.gz DUIQNQBVGGSWJS-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO COc1ccc2ccccc2c1C[N@H+]1CCCN(C)CC1 ZINC000019632968 372178953 /nfs/dbraw/zinc/17/89/53/372178953.db2.gz DUIQNQBVGGSWJS-UHFFFAOYSA-N 1 1 284.403 2.986 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000017245381 372131458 /nfs/dbraw/zinc/13/14/58/372131458.db2.gz MMGBWQXPHCBIBW-RHSMWYFYSA-N 1 1 289.419 2.647 50 0 CFAAMO C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000020050038 372223233 /nfs/dbraw/zinc/22/32/33/372223233.db2.gz UYLNYMZXBWLAEX-QMMMGPOBSA-N 1 1 275.179 2.732 50 0 CFAAMO O=C(C[NH2+]Cc1ccco1)Nc1cccc(Cl)c1 ZINC000020056679 372225689 /nfs/dbraw/zinc/22/56/89/372225689.db2.gz AUKUZYHKADHIJZ-UHFFFAOYSA-N 1 1 264.712 2.661 50 0 CFAAMO Cc1cc(OCC[NH+]2CCN(C)CC2)ccc1C(C)C ZINC000020118141 372233324 /nfs/dbraw/zinc/23/33/24/372233324.db2.gz YJYDAKJKKVPWGL-UHFFFAOYSA-N 1 1 276.424 2.745 50 0 CFAAMO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@@H+](C)[C@H](C)C1 ZINC000019770966 372184562 /nfs/dbraw/zinc/18/45/62/372184562.db2.gz APIUPJBSGRUJHZ-CYBMUJFWSA-N 1 1 284.407 2.521 50 0 CFAAMO Cc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)c(C)c1 ZINC000019771295 372184975 /nfs/dbraw/zinc/18/49/75/372184975.db2.gz RUNNMQWVTBLAMJ-DOTOQJQBSA-N 1 1 258.409 2.972 50 0 CFAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCCC[N@H+]1C ZINC000019782192 372185951 /nfs/dbraw/zinc/18/59/51/372185951.db2.gz QNLZXRSAUUDBRH-CYBMUJFWSA-N 1 1 290.386 2.618 50 0 CFAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CCCC[N@@H+]1C ZINC000019782192 372185955 /nfs/dbraw/zinc/18/59/55/372185955.db2.gz QNLZXRSAUUDBRH-CYBMUJFWSA-N 1 1 290.386 2.618 50 0 CFAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CCCC[N@H+]1C ZINC000019782192 372185957 /nfs/dbraw/zinc/18/59/57/372185957.db2.gz QNLZXRSAUUDBRH-CYBMUJFWSA-N 1 1 290.386 2.618 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2F)on1 ZINC000022911109 372248870 /nfs/dbraw/zinc/24/88/70/372248870.db2.gz WZKPSMDJWZEJAW-GHMZBOCLSA-N 1 1 291.326 2.800 50 0 CFAAMO OCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC000023114864 372252510 /nfs/dbraw/zinc/25/25/10/372252510.db2.gz IAKDYHYTSCPNSC-ZDUSSCGKSA-N 1 1 255.308 2.702 50 0 CFAAMO CN(C)CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000023280582 372257094 /nfs/dbraw/zinc/25/70/94/372257094.db2.gz JKSIQJWYDAVXET-UHFFFAOYSA-N 1 1 276.302 2.579 50 0 CFAAMO CN(C)CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000023280582 372257102 /nfs/dbraw/zinc/25/71/02/372257102.db2.gz JKSIQJWYDAVXET-UHFFFAOYSA-N 1 1 276.302 2.579 50 0 CFAAMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NCC[NH+](C)C ZINC000025763851 372306488 /nfs/dbraw/zinc/30/64/88/372306488.db2.gz YRYHZTDMVWWJPM-KGLIPLIRSA-N 1 1 291.439 2.678 50 0 CFAAMO CCCCC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000027794307 372348930 /nfs/dbraw/zinc/34/89/30/372348930.db2.gz PSWKEKUVJLOEOO-AWEZNQCLSA-N 1 1 278.396 2.604 50 0 CFAAMO CC[N@H+]1CCC[C@H](c2nnc3c(C(F)(F)F)cccn32)C1 ZINC000032561071 372444952 /nfs/dbraw/zinc/44/49/52/372444952.db2.gz KMHSCZZWZDNBJR-JTQLQIEISA-N 1 1 298.312 2.947 50 0 CFAAMO CC[C@@H](C)[N@H+](Cc1cccn1C)C[C@H](O)COC(C)(C)C ZINC000036098144 372557466 /nfs/dbraw/zinc/55/74/66/372557466.db2.gz VUTLPXRKTSBDFA-ZBFHGGJFSA-N 1 1 296.455 2.802 50 0 CFAAMO CCC[C@@H](O)C[N@@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036100184 372557783 /nfs/dbraw/zinc/55/77/83/372557783.db2.gz ZLGSGNPPOGZBGK-MRXNPFEDSA-N 1 1 295.423 2.695 50 0 CFAAMO Cc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)s1 ZINC000036385751 372576556 /nfs/dbraw/zinc/57/65/56/372576556.db2.gz ZEMAHOYXOAHHGN-OAHLLOKOSA-N 1 1 296.480 2.581 50 0 CFAAMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1c[nH]nc1C ZINC000037089986 372647732 /nfs/dbraw/zinc/64/77/32/372647732.db2.gz GEJWRMRNKMFLGJ-SNVBAGLBSA-N 1 1 263.316 2.717 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037142121 372655712 /nfs/dbraw/zinc/65/57/12/372655712.db2.gz DOICJUOBAFWQJM-MNOVXSKESA-N 1 1 261.291 2.929 50 0 CFAAMO O=C(NC1CC[NH+](Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000042156747 372878027 /nfs/dbraw/zinc/87/80/27/372878027.db2.gz GDWLPAIGYBXQBR-UHFFFAOYSA-N 1 1 298.839 2.892 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000046878901 373065702 /nfs/dbraw/zinc/06/57/02/373065702.db2.gz WUIRKBBSNUUAPK-LLVKDONJSA-N 1 1 298.789 2.941 50 0 CFAAMO c1nc2ccccc2n1CC[N@H+]1CCOC2(CCCC2)C1 ZINC000244690955 189908942 /nfs/dbraw/zinc/90/89/42/189908942.db2.gz JABWCKSPSVUPNE-UHFFFAOYSA-N 1 1 285.391 2.681 50 0 CFAAMO c1ccc2oc(N[C@H]3CC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000048336912 373165037 /nfs/dbraw/zinc/16/50/37/373165037.db2.gz IHURGJULAVSZMF-WCQYABFASA-N 1 1 257.337 2.867 50 0 CFAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CO)CC1 ZINC000047958828 373134748 /nfs/dbraw/zinc/13/47/48/373134748.db2.gz DLSHAVCJTQUEKI-UHFFFAOYSA-N 1 1 292.404 2.916 50 0 CFAAMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2)C1 ZINC000048909689 373231227 /nfs/dbraw/zinc/23/12/27/373231227.db2.gz BNIBNNYTYFHTHE-GFCCVEGCSA-N 1 1 279.359 2.679 50 0 CFAAMO Cc1csc(NC(=O)C[N@H+](C)C2CCCCC2)n1 ZINC000049066871 373260559 /nfs/dbraw/zinc/26/05/59/373260559.db2.gz DOKFETMAJKIKES-UHFFFAOYSA-N 1 1 267.398 2.655 50 0 CFAAMO CCCC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000049478806 373301654 /nfs/dbraw/zinc/30/16/54/373301654.db2.gz IYZFKWRKYRHVCT-UHFFFAOYSA-N 1 1 275.327 2.736 50 0 CFAAMO CNc1ncccc1C[N@@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055053831 373535466 /nfs/dbraw/zinc/53/54/66/373535466.db2.gz SZSCCBJYDOVOBT-AWEZNQCLSA-N 1 1 284.407 2.890 50 0 CFAAMO O=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054965272 373533436 /nfs/dbraw/zinc/53/34/36/373533436.db2.gz JDWZUVQRUPAVPK-UHFFFAOYSA-N 1 1 280.371 2.821 50 0 CFAAMO Fc1cccc(Cl)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000055060436 373536974 /nfs/dbraw/zinc/53/69/74/373536974.db2.gz WIINRGGHJNNSHC-UHFFFAOYSA-N 1 1 285.746 2.818 50 0 CFAAMO CCCn1cc(CNCCC[NH2+]C)c2ccccc21 ZINC000057353483 373589993 /nfs/dbraw/zinc/58/99/93/373589993.db2.gz DOLPUFSOQQINSZ-UHFFFAOYSA-N 1 1 259.397 2.750 50 0 CFAAMO Cc1cnc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055134270 373541216 /nfs/dbraw/zinc/54/12/16/373541216.db2.gz BPAYDTMDMUCMLF-UHFFFAOYSA-N 1 1 297.337 2.604 50 0 CFAAMO Cc1cc(CN(CC[NH+](C)C)Cc2ccc(C)s2)n[nH]1 ZINC000055575602 373558245 /nfs/dbraw/zinc/55/82/45/373558245.db2.gz ISAWLKXYHUCWCB-UHFFFAOYSA-N 1 1 292.452 2.652 50 0 CFAAMO CCCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000055911030 373560849 /nfs/dbraw/zinc/56/08/49/373560849.db2.gz OYFCCGSWOQTQNM-HNNXBMFYSA-N 1 1 260.381 2.658 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000057503257 373595857 /nfs/dbraw/zinc/59/58/57/373595857.db2.gz MHMVGYMCWQSOIW-LLVKDONJSA-N 1 1 291.782 2.722 50 0 CFAAMO CC[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058265259 373638573 /nfs/dbraw/zinc/63/85/73/373638573.db2.gz YRRYCOUBMRQLGX-DZKIICNBSA-N 1 1 274.408 2.984 50 0 CFAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000058283041 373640556 /nfs/dbraw/zinc/64/05/56/373640556.db2.gz JWRYWZCCLVWTRM-SJORKVTESA-N 1 1 280.371 2.703 50 0 CFAAMO O=C(c1cccc(Cl)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000058281598 373640796 /nfs/dbraw/zinc/64/07/96/373640796.db2.gz WKNALDFEPXSDRW-UHFFFAOYSA-N 1 1 278.783 2.650 50 0 CFAAMO CCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000057619956 373605038 /nfs/dbraw/zinc/60/50/38/373605038.db2.gz SZWUYTTYIUTHGN-UHFFFAOYSA-N 1 1 259.353 2.544 50 0 CFAAMO CC1CCC(NC(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000058874485 373672616 /nfs/dbraw/zinc/67/26/16/373672616.db2.gz ARJDWNHCSRKYEW-UHFFFAOYSA-N 1 1 266.429 2.946 50 0 CFAAMO Clc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000060363298 373693559 /nfs/dbraw/zinc/69/35/59/373693559.db2.gz AUSHIWRROXAKFK-ZDUSSCGKSA-N 1 1 281.783 2.925 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000062161092 373754901 /nfs/dbraw/zinc/75/49/01/373754901.db2.gz MGVGPCHWWIMYNN-ZDUSSCGKSA-N 1 1 279.380 2.562 50 0 CFAAMO CC(C)(C)[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000064933037 373838956 /nfs/dbraw/zinc/83/89/56/373838956.db2.gz AQOMMHUGMMDKKE-HNNXBMFYSA-N 1 1 285.395 2.885 50 0 CFAAMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1O ZINC000063778375 373815114 /nfs/dbraw/zinc/81/51/14/373815114.db2.gz QPGHHTSFRFGRGY-UHFFFAOYSA-N 1 1 290.407 2.729 50 0 CFAAMO CC[N@H+]1CCC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC000063852107 373817551 /nfs/dbraw/zinc/81/75/51/373817551.db2.gz YFZDXZZEEIMMRB-OAHLLOKOSA-N 1 1 266.429 2.805 50 0 CFAAMO O=C(NCc1ccco1)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000064817950 373835724 /nfs/dbraw/zinc/83/57/24/373835724.db2.gz JMSIHIBBURXAEG-UHFFFAOYSA-N 1 1 296.370 2.728 50 0 CFAAMO Cc1n[nH]c(C)c1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000065548330 373887831 /nfs/dbraw/zinc/88/78/31/373887831.db2.gz XPSVPNJUGQKAQP-UHFFFAOYSA-N 1 1 298.434 2.912 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)CCSc1ccc(F)cc1 ZINC000065590738 373892106 /nfs/dbraw/zinc/89/21/06/373892106.db2.gz ABEFZXUSYRWKLV-CYBMUJFWSA-N 1 1 296.411 2.518 50 0 CFAAMO CCc1[nH+]ccn1Cc1noc(-c2ccc(F)cc2)n1 ZINC000065288333 373855042 /nfs/dbraw/zinc/85/50/42/373855042.db2.gz LKUAOGNMFBRENP-UHFFFAOYSA-N 1 1 272.283 2.683 50 0 CFAAMO CCc1ccc(CN(C)c2cc(C)[nH+]c(CC)n2)nc1 ZINC000065371007 373859578 /nfs/dbraw/zinc/85/95/78/373859578.db2.gz UPIVDZPOONLKKJ-UHFFFAOYSA-N 1 1 270.380 2.941 50 0 CFAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065371794 373859663 /nfs/dbraw/zinc/85/96/63/373859663.db2.gz KELDDCWUZOXMRE-CQSZACIVSA-N 1 1 293.374 2.855 50 0 CFAAMO CCCc1nc(N[C@H](C)Cc2cnccn2)cc(C)[nH+]1 ZINC000065406617 373868533 /nfs/dbraw/zinc/86/85/33/373868533.db2.gz PBMSSJNHQKFXCP-LLVKDONJSA-N 1 1 271.368 2.571 50 0 CFAAMO CC(C)[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CCC(=O)N1 ZINC000065425901 373871249 /nfs/dbraw/zinc/87/12/49/373871249.db2.gz RWIIFUSYWAUMPZ-AWEZNQCLSA-N 1 1 286.375 2.922 50 0 CFAAMO Cc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000066054545 373910102 /nfs/dbraw/zinc/91/01/02/373910102.db2.gz IKBHBWSKAGCUHE-CQSZACIVSA-N 1 1 276.380 2.876 50 0 CFAAMO COc1ccc2[nH]c(=O)c(C[N@@H+](C)CC(C)C)cc2c1 ZINC000067757397 373999541 /nfs/dbraw/zinc/99/95/41/373999541.db2.gz AQWVRMHKTGFAGM-UHFFFAOYSA-N 1 1 274.364 2.625 50 0 CFAAMO CC(C)c1ccc(CC(=O)NC[C@@]2(C)CC[N@@H+](C)C2)cc1 ZINC000067770818 374001395 /nfs/dbraw/zinc/00/13/95/374001395.db2.gz KITTXDODWHXNSW-GOSISDBHSA-N 1 1 288.435 2.811 50 0 CFAAMO Cc1ccccc1CCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000067817530 374004756 /nfs/dbraw/zinc/00/47/56/374004756.db2.gz VWYDHDJKQZQOJJ-MRXNPFEDSA-N 1 1 288.435 2.774 50 0 CFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC000067819958 374006724 /nfs/dbraw/zinc/00/67/24/374006724.db2.gz YFZDXZZEEIMMRB-HNNXBMFYSA-N 1 1 266.429 2.805 50 0 CFAAMO CC(C)c1csc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000067850398 374008717 /nfs/dbraw/zinc/00/87/17/374008717.db2.gz QQRROMFPNQICNX-GFCCVEGCSA-N 1 1 295.452 2.728 50 0 CFAAMO CC(C)=CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067562977 373982874 /nfs/dbraw/zinc/98/28/74/373982874.db2.gz HOONCNTYGHBPHH-OAHLLOKOSA-N 1 1 290.407 2.964 50 0 CFAAMO CCOCCCn1cc[nH+]c1[C@H]1CCOC(C)(C)C1 ZINC000067561698 373983241 /nfs/dbraw/zinc/98/32/41/373983241.db2.gz YBOTXZHYWMRMEF-ZDUSSCGKSA-N 1 1 266.385 2.982 50 0 CFAAMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc3ccccc3cn2)C1 ZINC000067587837 373985804 /nfs/dbraw/zinc/98/58/04/373985804.db2.gz RZJPSVIVIMBQRV-CQSZACIVSA-N 1 1 297.402 2.697 50 0 CFAAMO [NH3+]C[C@H]1Cc2c(c(-c3ccc4nc[nH]c4c3)ccc2F)O1 ZINC000067673148 373990340 /nfs/dbraw/zinc/99/03/40/373990340.db2.gz HDKAXSJTPFPWKE-SNVBAGLBSA-N 1 1 283.306 2.631 50 0 CFAAMO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@H](O)C1 ZINC000067675414 373990369 /nfs/dbraw/zinc/99/03/69/373990369.db2.gz RKUGZIVQBXNURF-AWEZNQCLSA-N 1 1 286.375 2.915 50 0 CFAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](O)C1 ZINC000067675414 373990374 /nfs/dbraw/zinc/99/03/74/373990374.db2.gz RKUGZIVQBXNURF-AWEZNQCLSA-N 1 1 286.375 2.915 50 0 CFAAMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000067692191 373993566 /nfs/dbraw/zinc/99/35/66/373993566.db2.gz RRDMTSIGKHHWHV-MRXNPFEDSA-N 1 1 297.358 2.600 50 0 CFAAMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000067692191 373993570 /nfs/dbraw/zinc/99/35/70/373993570.db2.gz RRDMTSIGKHHWHV-MRXNPFEDSA-N 1 1 297.358 2.600 50 0 CFAAMO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000067692193 373993578 /nfs/dbraw/zinc/99/35/78/373993578.db2.gz RRDMTSIGKHHWHV-INIZCTEOSA-N 1 1 297.358 2.600 50 0 CFAAMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000067692193 373993582 /nfs/dbraw/zinc/99/35/82/373993582.db2.gz RRDMTSIGKHHWHV-INIZCTEOSA-N 1 1 297.358 2.600 50 0 CFAAMO CC[N@H+](C)[C@H](C(=O)Nc1cnccc1OC)c1ccccc1 ZINC000068324883 374027625 /nfs/dbraw/zinc/02/76/25/374027625.db2.gz FYWFMEYHXMKPFD-INIZCTEOSA-N 1 1 299.374 2.722 50 0 CFAAMO CC[N@@H+](C)[C@H](C(=O)Nc1cnccc1OC)c1ccccc1 ZINC000068324883 374027632 /nfs/dbraw/zinc/02/76/32/374027632.db2.gz FYWFMEYHXMKPFD-INIZCTEOSA-N 1 1 299.374 2.722 50 0 CFAAMO c1ccc(CN2CCC[NH2+]CCCSCCC2)cc1 ZINC000068604634 374033844 /nfs/dbraw/zinc/03/38/44/374033844.db2.gz CIWYKIVUODJLCF-UHFFFAOYSA-N 1 1 278.465 2.995 50 0 CFAAMO C[N@@H+](Cc1ccccc1NS(C)(=O)=O)C1CCCCC1 ZINC000069474325 374066348 /nfs/dbraw/zinc/06/63/48/374066348.db2.gz NQHYGYZQOHLHFV-UHFFFAOYSA-N 1 1 296.436 2.823 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccsc1 ZINC000069653923 374082720 /nfs/dbraw/zinc/08/27/20/374082720.db2.gz FPOZPKDBTRNYFN-KGLIPLIRSA-N 1 1 278.421 2.837 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccsc1 ZINC000069521029 374070557 /nfs/dbraw/zinc/07/05/57/374070557.db2.gz MNRVFJVIBVDZAI-CABCVRRESA-N 1 1 292.448 2.766 50 0 CFAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000069586771 374077136 /nfs/dbraw/zinc/07/71/36/374077136.db2.gz COADBZBYDBRHRN-CQSZACIVSA-N 1 1 295.814 2.576 50 0 CFAAMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCCCOC)C1 ZINC000069920569 374109913 /nfs/dbraw/zinc/10/99/13/374109913.db2.gz ISOYCHFYZSCXPK-CVEARBPZSA-N 1 1 298.471 2.820 50 0 CFAAMO Cn1ccnc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000069777358 374095362 /nfs/dbraw/zinc/09/53/62/374095362.db2.gz JKQRSLLBTFIXSD-CYBMUJFWSA-N 1 1 259.328 2.549 50 0 CFAAMO Cn1ccnc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000069777358 374095367 /nfs/dbraw/zinc/09/53/67/374095367.db2.gz JKQRSLLBTFIXSD-CYBMUJFWSA-N 1 1 259.328 2.549 50 0 CFAAMO CC(C)=CC[N@H+]1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000069815266 374100611 /nfs/dbraw/zinc/10/06/11/374100611.db2.gz LRKMVSLEFAPMMG-OAHLLOKOSA-N 1 1 262.401 2.716 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2Cc2cc(C)on2)c1 ZINC000069815489 374102910 /nfs/dbraw/zinc/10/29/10/374102910.db2.gz MHJKRFFNXMUOCL-HNNXBMFYSA-N 1 1 274.368 2.543 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2cc(C)on2)c1 ZINC000069815489 374102920 /nfs/dbraw/zinc/10/29/20/374102920.db2.gz MHJKRFFNXMUOCL-HNNXBMFYSA-N 1 1 274.368 2.543 50 0 CFAAMO c1ncn(C[C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000069843711 374104310 /nfs/dbraw/zinc/10/43/10/374104310.db2.gz XDKPFPAGVWREFR-KRWDZBQOSA-N 1 1 284.407 2.623 50 0 CFAAMO Cn1cc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)cn1 ZINC000069848139 374104599 /nfs/dbraw/zinc/10/45/99/374104599.db2.gz RTYMKITXVZVRGJ-OAHLLOKOSA-N 1 1 259.328 2.896 50 0 CFAAMO c1cnn(C[C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)c1 ZINC000069893071 374107418 /nfs/dbraw/zinc/10/74/18/374107418.db2.gz IPNNAFAOAVKXKE-ZDUSSCGKSA-N 1 1 282.347 2.689 50 0 CFAAMO CC(C)c1nccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)n1 ZINC000071753409 374221658 /nfs/dbraw/zinc/22/16/58/374221658.db2.gz FBRNKLMOMFJXFB-AWEZNQCLSA-N 1 1 276.428 2.515 50 0 CFAAMO CN(C)[C@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072448181 374253904 /nfs/dbraw/zinc/25/39/04/374253904.db2.gz YZPKZQDEVQNUJZ-KRWDZBQOSA-N 1 1 290.451 2.526 50 0 CFAAMO CN(C)[C@H]1CC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072448181 374253909 /nfs/dbraw/zinc/25/39/09/374253909.db2.gz YZPKZQDEVQNUJZ-KRWDZBQOSA-N 1 1 290.451 2.526 50 0 CFAAMO c1ncc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)[nH]1 ZINC000072447197 374254251 /nfs/dbraw/zinc/25/42/51/374254251.db2.gz DDVVJUBAWBWBNL-GFCCVEGCSA-N 1 1 281.363 2.666 50 0 CFAAMO c1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c[nH]1 ZINC000072447197 374254258 /nfs/dbraw/zinc/25/42/58/374254258.db2.gz DDVVJUBAWBWBNL-GFCCVEGCSA-N 1 1 281.363 2.666 50 0 CFAAMO c1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c[nH]1 ZINC000072447197 374254262 /nfs/dbraw/zinc/25/42/62/374254262.db2.gz DDVVJUBAWBWBNL-GFCCVEGCSA-N 1 1 281.363 2.666 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc3c(c1)CCC3)C2 ZINC000072500780 374257826 /nfs/dbraw/zinc/25/78/26/374257826.db2.gz UTMDZPBDEOXSAY-DLBZAZTESA-N 1 1 299.418 2.876 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNc1cc(C(C)C)nc2ccnn21 ZINC000072419218 374249496 /nfs/dbraw/zinc/24/94/96/374249496.db2.gz JQWYVUOJSIZOMY-ZDUSSCGKSA-N 1 1 287.411 2.749 50 0 CFAAMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccno1 ZINC000072772101 374283888 /nfs/dbraw/zinc/28/38/88/374283888.db2.gz XOHDPXPUQFBOFG-LBPRGKRZSA-N 1 1 260.337 2.746 50 0 CFAAMO C[N@@H+](Cc1ccncc1)[C@@H](CCO)c1ccccc1 ZINC000075900103 374510873 /nfs/dbraw/zinc/51/08/73/374510873.db2.gz ZKBISAVJZIRUTJ-INIZCTEOSA-N 1 1 256.349 2.637 50 0 CFAAMO COC[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000079091016 374592606 /nfs/dbraw/zinc/59/26/06/374592606.db2.gz GSWXPAOPCAYBRN-LBPRGKRZSA-N 1 1 266.385 2.831 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000079091016 374592612 /nfs/dbraw/zinc/59/26/12/374592612.db2.gz GSWXPAOPCAYBRN-LBPRGKRZSA-N 1 1 266.385 2.831 50 0 CFAAMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)C(C)C ZINC000079020148 374584615 /nfs/dbraw/zinc/58/46/15/374584615.db2.gz CMHCTNHRNMRNKQ-INIZCTEOSA-N 1 1 295.448 2.955 50 0 CFAAMO C[C@H]1C[C@H](NCc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338358 374651512 /nfs/dbraw/zinc/65/15/12/374651512.db2.gz MZSLYYFQKYPXIQ-GOEBONIOSA-N 1 1 284.407 2.552 50 0 CFAAMO Cc1ccccc1N1CC[N@@H+](CCC(C)C)CC1=O ZINC000082134717 374728549 /nfs/dbraw/zinc/72/85/49/374728549.db2.gz XHJZUHFCKRSPSQ-UHFFFAOYSA-N 1 1 260.381 2.690 50 0 CFAAMO Cc1ccccc1N1CC[N@H+](CCC(C)C)CC1=O ZINC000082134717 374728556 /nfs/dbraw/zinc/72/85/56/374728556.db2.gz XHJZUHFCKRSPSQ-UHFFFAOYSA-N 1 1 260.381 2.690 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000084656505 374785215 /nfs/dbraw/zinc/78/52/15/374785215.db2.gz WGWDMBICIBRNAI-RHSMWYFYSA-N 1 1 285.391 2.729 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)[C@@H]1CO ZINC000089929843 374969981 /nfs/dbraw/zinc/96/99/81/374969981.db2.gz SMJLIBIQRQRUES-BLLLJJGKSA-N 1 1 288.366 2.967 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000089813895 374956490 /nfs/dbraw/zinc/95/64/90/374956490.db2.gz BUBOZABOCCAUHR-GFCCVEGCSA-N 1 1 253.773 2.587 50 0 CFAAMO OCC[N@@H+](Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000089858129 374961529 /nfs/dbraw/zinc/96/15/29/374961529.db2.gz LHUITZQCIBUTAB-QGZVFWFLSA-N 1 1 268.360 2.563 50 0 CFAAMO CC(C)c1noc([C@H](C)[NH2+]C[C@H]2CCCn3ccnc32)n1 ZINC000089893627 374964975 /nfs/dbraw/zinc/96/49/75/374964975.db2.gz HRNCQFHZFBZDRX-NWDGAFQWSA-N 1 1 289.383 2.618 50 0 CFAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)s3)[C@H]2C1 ZINC000092095802 375087579 /nfs/dbraw/zinc/08/75/79/375087579.db2.gz UPRGKQRNXGHMTE-SNPRPXQTSA-N 1 1 281.421 2.825 50 0 CFAAMO c1c[nH]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000091562950 375053430 /nfs/dbraw/zinc/05/34/30/375053430.db2.gz CYOBOTMRAGDKCL-DLBZAZTESA-N 1 1 296.418 2.506 50 0 CFAAMO NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000092660643 375137573 /nfs/dbraw/zinc/13/75/73/375137573.db2.gz FCGZTPHRCHITKU-LLVKDONJSA-N 1 1 298.789 2.957 50 0 CFAAMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000092660643 375137578 /nfs/dbraw/zinc/13/75/78/375137578.db2.gz FCGZTPHRCHITKU-LLVKDONJSA-N 1 1 298.789 2.957 50 0 CFAAMO C[C@@H]1C[C@@H](N(C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643707 375280860 /nfs/dbraw/zinc/28/08/60/375280860.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643707 375280863 /nfs/dbraw/zinc/28/08/63/375280863.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 1 1 268.351 2.879 50 0 CFAAMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CCN1C ZINC000093643707 375280869 /nfs/dbraw/zinc/28/08/69/375280869.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 1 1 268.351 2.879 50 0 CFAAMO Cc1nc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)[nH]c1C ZINC000571582471 383707638 /nfs/dbraw/zinc/70/76/38/383707638.db2.gz RXBOEUSTQFMURB-PBHICJAKSA-N 1 1 286.423 2.808 50 0 CFAAMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2CCS(=O)CC2)o1 ZINC000093659502 375289655 /nfs/dbraw/zinc/28/96/55/375289655.db2.gz BWHKKVQBIIFZNO-BWPGJZFPSA-N 1 1 281.421 2.746 50 0 CFAAMO C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H]1CCOC1 ZINC000093839900 375319481 /nfs/dbraw/zinc/31/94/81/375319481.db2.gz XQLWIGUHQOZIGO-CQSZACIVSA-N 1 1 275.392 2.868 50 0 CFAAMO CCn1cc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)cn1 ZINC000093593097 375271421 /nfs/dbraw/zinc/27/14/21/375271421.db2.gz ACEDYKOKFQBWDK-OAHLLOKOSA-N 1 1 285.391 2.901 50 0 CFAAMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611039 375274007 /nfs/dbraw/zinc/27/40/07/375274007.db2.gz PMYFAPUPXBFQFA-KBPBESRZSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@H]1C[C@H]([N@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611039 375274012 /nfs/dbraw/zinc/27/40/12/375274012.db2.gz PMYFAPUPXBFQFA-KBPBESRZSA-N 1 1 263.385 2.579 50 0 CFAAMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]cn2)C12CCCC2 ZINC000093611039 375274021 /nfs/dbraw/zinc/27/40/21/375274021.db2.gz PMYFAPUPXBFQFA-KBPBESRZSA-N 1 1 263.385 2.579 50 0 CFAAMO CS[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC(C)C)CC1 ZINC000095968629 375464512 /nfs/dbraw/zinc/46/45/12/375464512.db2.gz CNTSAFSVTBXPHM-HUUCEWRRSA-N 1 1 270.486 2.981 50 0 CFAAMO C[N@@H+](CCc1cccs1)CCc1nccs1 ZINC000095973444 375465398 /nfs/dbraw/zinc/46/53/98/375465398.db2.gz OUSPTHFMMOQPNQ-UHFFFAOYSA-N 1 1 252.408 2.922 50 0 CFAAMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ccc(F)cc4n3)[C@@H]2C1 ZINC000095994856 375466597 /nfs/dbraw/zinc/46/65/97/375466597.db2.gz BBTOBVZBLRCIPD-CZUORRHYSA-N 1 1 285.366 2.904 50 0 CFAAMO Cc1cc(=O)c2ccccc2n1Cc1[nH+]ccn1C1CC1 ZINC000095354859 375418245 /nfs/dbraw/zinc/41/82/45/375418245.db2.gz RFCLGNOHCRGEKZ-UHFFFAOYSA-N 1 1 279.343 2.890 50 0 CFAAMO Cc1ccc([C@@H](C(=O)NC(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000095361292 375419357 /nfs/dbraw/zinc/41/93/57/375419357.db2.gz FLZKGOWZNOZDHQ-KRWDZBQOSA-N 1 1 286.419 2.903 50 0 CFAAMO CC(C)SCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095374085 375422881 /nfs/dbraw/zinc/42/28/81/375422881.db2.gz OMIRMFJUYRAMSC-CQSZACIVSA-N 1 1 298.427 2.686 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1=CCCCC1 ZINC000095382028 375427545 /nfs/dbraw/zinc/42/75/45/375427545.db2.gz JLQHGHSUITZSDV-OAHLLOKOSA-N 1 1 264.413 2.868 50 0 CFAAMO O=C([C@@H]1CCC[N@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC000095400263 375432145 /nfs/dbraw/zinc/43/21/45/375432145.db2.gz FZPURDKQEQXGRY-GFCCVEGCSA-N 1 1 292.345 2.663 50 0 CFAAMO CCc1ccc(C[NH2+][C@@H](CO)c2ccc(OC)cc2)o1 ZINC000095415488 375437354 /nfs/dbraw/zinc/43/73/54/375437354.db2.gz PBDIZNZWCVKOGY-INIZCTEOSA-N 1 1 275.348 2.674 50 0 CFAAMO C[NH+]1CCC(N[C@H]2CSCCc3ccccc32)CC1 ZINC000095419523 375439457 /nfs/dbraw/zinc/43/94/57/375439457.db2.gz JQZRKBSEVSMCOJ-INIZCTEOSA-N 1 1 276.449 2.701 50 0 CFAAMO CC[N@H+](Cc1ccncc1)Cc1cccc2c1OCO2 ZINC000095430650 375445836 /nfs/dbraw/zinc/44/58/36/375445836.db2.gz UQIOZJFTVHOYAC-UHFFFAOYSA-N 1 1 270.332 2.832 50 0 CFAAMO CC[N@@H+](Cc1ccncc1)Cc1cccc2c1OCO2 ZINC000095430650 375445844 /nfs/dbraw/zinc/44/58/44/375445844.db2.gz UQIOZJFTVHOYAC-UHFFFAOYSA-N 1 1 270.332 2.832 50 0 CFAAMO CCCc1[nH+]ccn1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000095438666 375449494 /nfs/dbraw/zinc/44/94/94/375449494.db2.gz NUECLJHLMULWMN-CYBMUJFWSA-N 1 1 299.374 2.757 50 0 CFAAMO CC(C)[C@@H](C)[N@@H+](Cc1cnc2ncccn12)C1CC1 ZINC000095453803 375455287 /nfs/dbraw/zinc/45/52/87/375455287.db2.gz YFVXAQLOZWCZST-GFCCVEGCSA-N 1 1 258.369 2.738 50 0 CFAAMO Cc1n[nH]cc1C[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000097159474 375533708 /nfs/dbraw/zinc/53/37/08/375533708.db2.gz STRDYPBHGKBHAU-KRWDZBQOSA-N 1 1 284.407 2.645 50 0 CFAAMO COC(=O)c1ccc(CNc2cccc(C)[nH+]2)cc1OC ZINC000097163394 375535390 /nfs/dbraw/zinc/53/53/90/375535390.db2.gz BFSIWQVEKSBQJV-UHFFFAOYSA-N 1 1 286.331 2.797 50 0 CFAAMO Cc1cc(C)nc(NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000097220628 375542174 /nfs/dbraw/zinc/54/21/74/375542174.db2.gz ZYHHENOGGDOATF-UHFFFAOYSA-N 1 1 296.418 2.954 50 0 CFAAMO CC/C=C(/C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000096408202 375485689 /nfs/dbraw/zinc/48/56/89/375485689.db2.gz WSFOIWZVNOFGJP-MLPAPPSSSA-N 1 1 287.407 2.831 50 0 CFAAMO Cc1ccc2ncc(C[N@H+]3CCCSCC3)n2c1 ZINC000097058690 375506071 /nfs/dbraw/zinc/50/60/71/375506071.db2.gz XVLJROQOUVPYJM-UHFFFAOYSA-N 1 1 261.394 2.582 50 0 CFAAMO c1[nH+]cn2c1C[C@H](c1nc(CCc3ccccc3)no1)CC2 ZINC000097085369 375512312 /nfs/dbraw/zinc/51/23/12/375512312.db2.gz UMZFRPCVJZPHOJ-CQSZACIVSA-N 1 1 294.358 2.781 50 0 CFAAMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000097101253 375518274 /nfs/dbraw/zinc/51/82/74/375518274.db2.gz KIYZBSIFXLCOIH-HOTGVXAUSA-N 1 1 279.424 2.860 50 0 CFAAMO C[C@@H](C[N@H+]1CCCN(C(N)=O)CC1)c1cccc(Cl)c1 ZINC000097103884 375518696 /nfs/dbraw/zinc/51/86/96/375518696.db2.gz SXYLEQIMIVCODF-LBPRGKRZSA-N 1 1 295.814 2.530 50 0 CFAAMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(Br)o1 ZINC000097105584 375520370 /nfs/dbraw/zinc/52/03/70/375520370.db2.gz MSOISCPTCXZQTQ-SNVBAGLBSA-N 1 1 288.185 2.777 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000097137852 375526922 /nfs/dbraw/zinc/52/69/22/375526922.db2.gz BDHTXSKCUQQECH-AWEZNQCLSA-N 1 1 295.390 2.823 50 0 CFAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000097137852 375526928 /nfs/dbraw/zinc/52/69/28/375526928.db2.gz BDHTXSKCUQQECH-AWEZNQCLSA-N 1 1 295.390 2.823 50 0 CFAAMO C[NH+]1CCC2(CCN(Cc3ccc(F)cc3F)C2)CC1 ZINC000097288748 375548733 /nfs/dbraw/zinc/54/87/33/375548733.db2.gz ANBVXLCDTSKUTA-UHFFFAOYSA-N 1 1 280.362 2.883 50 0 CFAAMO COc1cc(C[N@H+]2CCCCC[C@H]2CO)ccc1F ZINC000097394132 375558929 /nfs/dbraw/zinc/55/89/29/375558929.db2.gz HXLSPVOYYMCMAG-ZDUSSCGKSA-N 1 1 267.344 2.571 50 0 CFAAMO Cc1nnc([C@@H]2CCC[N@H+]2CCCc2ccccc2)[nH]1 ZINC000097480000 375566082 /nfs/dbraw/zinc/56/60/82/375566082.db2.gz DVTJUKRSBNTZNW-HNNXBMFYSA-N 1 1 270.380 2.883 50 0 CFAAMO COc1ccc(C2=C[C@@H](c3ccco3)N3NC=NC3=[NH+]2)cc1 ZINC000100487102 375623365 /nfs/dbraw/zinc/62/33/65/375623365.db2.gz BZXPTZQKAPOKFX-AWEZNQCLSA-N 1 1 294.314 2.589 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000102476395 375677299 /nfs/dbraw/zinc/67/72/99/375677299.db2.gz KYLSLCBHYHRWSX-QWHCGFSZSA-N 1 1 288.391 2.948 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000102476395 375677311 /nfs/dbraw/zinc/67/73/11/375677311.db2.gz KYLSLCBHYHRWSX-QWHCGFSZSA-N 1 1 288.391 2.948 50 0 CFAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C)C1)c1cccs1 ZINC000103932998 375762152 /nfs/dbraw/zinc/76/21/52/375762152.db2.gz XWPRXRQVSRXMKZ-VXGBXAGGSA-N 1 1 266.410 2.657 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000136132818 378182443 /nfs/dbraw/zinc/18/24/43/378182443.db2.gz HJZHMKBHCYHNOF-GFCCVEGCSA-N 1 1 253.773 2.853 50 0 CFAAMO Cc1csc(=O)n1CC[N@@H+](Cc1ccccn1)C(C)C ZINC000048290919 412902699 /nfs/dbraw/zinc/90/26/99/412902699.db2.gz ZBFQFFMHSJCUIR-UHFFFAOYSA-N 1 1 291.420 2.524 50 0 CFAAMO CCCc1noc(C[N@H+]2CCCC[C@H](CCOC)C2)n1 ZINC000170597103 379124100 /nfs/dbraw/zinc/12/41/00/379124100.db2.gz MQXXOFWUESQEJA-CYBMUJFWSA-N 1 1 281.400 2.661 50 0 CFAAMO CC(C)Cc1csc([C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000334343312 379125644 /nfs/dbraw/zinc/12/56/44/379125644.db2.gz LXFMPHCEZLNORT-QWHCGFSZSA-N 1 1 266.410 2.877 50 0 CFAAMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)CCOC(C)C ZINC000170606430 379127388 /nfs/dbraw/zinc/12/73/88/379127388.db2.gz VZECPGIGXOOZLN-HUUCEWRRSA-N 1 1 257.418 2.817 50 0 CFAAMO Cn1cncc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000288746269 381019593 /nfs/dbraw/zinc/01/95/93/381019593.db2.gz GDIXTBKQJYHQOM-UHFFFAOYSA-N 1 1 271.364 2.593 50 0 CFAAMO Cn1cncc1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000288746269 381019602 /nfs/dbraw/zinc/01/96/02/381019602.db2.gz GDIXTBKQJYHQOM-UHFFFAOYSA-N 1 1 271.364 2.593 50 0 CFAAMO CCn1cc(CNc2[nH+]c3cc(F)ccc3n2C)cn1 ZINC000184255252 381394271 /nfs/dbraw/zinc/39/42/71/381394271.db2.gz VVWONKPFYWUXOA-UHFFFAOYSA-N 1 1 273.315 2.541 50 0 CFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccco2)C1 ZINC000049479564 412948477 /nfs/dbraw/zinc/94/84/77/412948477.db2.gz SKBVMUNSWDQPKD-HSBSLETESA-N 1 1 276.380 2.529 50 0 CFAAMO C[C@@H](C[N@H+]1CC[C@H](CO)C1)c1cccc(Cl)c1 ZINC000187103744 382100858 /nfs/dbraw/zinc/10/08/58/382100858.db2.gz MMFRHRRTGDGTNL-RYUDHWBXSA-N 1 1 253.773 2.758 50 0 CFAAMO COC(=O)CCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000328597178 382551361 /nfs/dbraw/zinc/55/13/61/382551361.db2.gz FHBUVBMGEZCIKM-GXTWGEPZSA-N 1 1 297.420 2.853 50 0 CFAAMO COC(=O)CCCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000328597178 382551364 /nfs/dbraw/zinc/55/13/64/382551364.db2.gz FHBUVBMGEZCIKM-GXTWGEPZSA-N 1 1 297.420 2.853 50 0 CFAAMO C[N@H+]1CCN(CC[C@@H]2CCCO2)C2(CCCCC2)C1 ZINC000189512382 382618477 /nfs/dbraw/zinc/61/84/77/382618477.db2.gz MKSPUNXSCKHQRM-HNNXBMFYSA-N 1 1 266.429 2.506 50 0 CFAAMO C[N@@H+](CCn1cccn1)[C@H]1CCCc2ccccc21 ZINC000193902748 382728596 /nfs/dbraw/zinc/72/85/96/382728596.db2.gz CPWBMICLURWWML-INIZCTEOSA-N 1 1 255.365 2.893 50 0 CFAAMO Cc1ccc2ncccc2c1C[N@@H+](C)CCCN(C)C ZINC000219282647 382793400 /nfs/dbraw/zinc/79/34/00/382793400.db2.gz GCVIOZNEDRBVMF-UHFFFAOYSA-N 1 1 271.408 2.927 50 0 CFAAMO Cc1ccc2ncccc2c1C[N@H+](C)CCCN(C)C ZINC000219282647 382793402 /nfs/dbraw/zinc/79/34/02/382793402.db2.gz GCVIOZNEDRBVMF-UHFFFAOYSA-N 1 1 271.408 2.927 50 0 CFAAMO Cc1ccc2ncccc2c1CN(C)CCC[NH+](C)C ZINC000219282647 382793403 /nfs/dbraw/zinc/79/34/03/382793403.db2.gz GCVIOZNEDRBVMF-UHFFFAOYSA-N 1 1 271.408 2.927 50 0 CFAAMO Cc1n[nH]cc1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000195565069 382769769 /nfs/dbraw/zinc/76/97/69/382769769.db2.gz SJBBYRSISCASII-ZDUSSCGKSA-N 1 1 290.436 2.658 50 0 CFAAMO Cc1c[nH+]c(C2CN(Cc3cccnc3)C2)n1CC1CC1 ZINC000575554010 382773707 /nfs/dbraw/zinc/77/37/07/382773707.db2.gz MEFBEBJILXQWJX-UHFFFAOYSA-N 1 1 282.391 2.596 50 0 CFAAMO CCCn1ccnc1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000215279100 382777977 /nfs/dbraw/zinc/77/79/77/382777977.db2.gz OMZAGCBHUDUEEA-KRWDZBQOSA-N 1 1 298.434 2.782 50 0 CFAAMO COc1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)cn1 ZINC000215386398 382778362 /nfs/dbraw/zinc/77/83/62/382778362.db2.gz BJYXBIRNKVCEKF-UHFFFAOYSA-N 1 1 299.374 2.529 50 0 CFAAMO Cc1ccc(F)c(CNC(=O)C[C@@H]2CCCC[N@@H+]2C)c1F ZINC000215351644 382778441 /nfs/dbraw/zinc/77/84/41/382778441.db2.gz MPRONOBXSSSBSL-LBPRGKRZSA-N 1 1 296.361 2.764 50 0 CFAAMO CCSc1ncc(C[N@H+]2CCCC[C@@H]2CCOC)cn1 ZINC000215518630 382778931 /nfs/dbraw/zinc/77/89/31/382778931.db2.gz IPSNKOFKEJBSJZ-CQSZACIVSA-N 1 1 295.452 2.980 50 0 CFAAMO CS[C@@H](C)CC[N@@H+](C)Cc1cnc2ccccn12 ZINC000215470572 382778984 /nfs/dbraw/zinc/77/89/84/382778984.db2.gz MSMPOMMPPZSEGH-LBPRGKRZSA-N 1 1 263.410 2.908 50 0 CFAAMO CS[C@H](C)CC[N@@H+](C)Cc1cnc2ccccn12 ZINC000215470620 382779222 /nfs/dbraw/zinc/77/92/22/382779222.db2.gz MSMPOMMPPZSEGH-GFCCVEGCSA-N 1 1 263.410 2.908 50 0 CFAAMO Cc1ccsc1C[N@@H+]1CCc2nc(-c3cn[nH]c3)[nH]c2C1 ZINC000215628064 382779613 /nfs/dbraw/zinc/77/96/13/382779613.db2.gz ROWHRVZOIARTHP-UHFFFAOYSA-N 1 1 299.403 2.728 50 0 CFAAMO Cc1ccsc1C[N@H+]1CCc2nc(-c3cn[nH]c3)[nH]c2C1 ZINC000215628064 382779615 /nfs/dbraw/zinc/77/96/15/382779615.db2.gz ROWHRVZOIARTHP-UHFFFAOYSA-N 1 1 299.403 2.728 50 0 CFAAMO CSCCC[N@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000215715371 382780207 /nfs/dbraw/zinc/78/02/07/382780207.db2.gz KBMXRINUYCCGLW-OAHLLOKOSA-N 1 1 265.422 2.641 50 0 CFAAMO Cc1nc([C@@H]2CCCN2CC(C)(C)[NH+]2CCCCC2)n[nH]1 ZINC000215847653 382780603 /nfs/dbraw/zinc/78/06/03/382780603.db2.gz SQUHOTTZFXOQBY-AWEZNQCLSA-N 1 1 291.443 2.515 50 0 CFAAMO COC[C@@H]1CCC[N@H+]1Cc1cnn(-c2cccc(F)c2)c1 ZINC000215881766 382780694 /nfs/dbraw/zinc/78/06/94/382780694.db2.gz UOVSOPNSMUWQLF-INIZCTEOSA-N 1 1 289.354 2.622 50 0 CFAAMO CN(Cc1cscn1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000215885068 382780796 /nfs/dbraw/zinc/78/07/96/382780796.db2.gz IIMXIMDPUVEPBO-UHFFFAOYSA-N 1 1 273.405 2.721 50 0 CFAAMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2nonc2c1 ZINC000215893538 382780956 /nfs/dbraw/zinc/78/09/56/382780956.db2.gz IOFUPBJBANLGIW-UHFFFAOYSA-N 1 1 299.378 2.875 50 0 CFAAMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2nonc2c1 ZINC000215893538 382780957 /nfs/dbraw/zinc/78/09/57/382780957.db2.gz IOFUPBJBANLGIW-UHFFFAOYSA-N 1 1 299.378 2.875 50 0 CFAAMO CCSc1ncc(C[N@H+](C)C[C@@H]2CCCCO2)cn1 ZINC000215972457 382781359 /nfs/dbraw/zinc/78/13/59/382781359.db2.gz VRTRFCORLDNKHT-ZDUSSCGKSA-N 1 1 281.425 2.590 50 0 CFAAMO CCSc1ncc(C[N@@H+](C)C[C@@H]2CCCCO2)cn1 ZINC000215972457 382781360 /nfs/dbraw/zinc/78/13/60/382781360.db2.gz VRTRFCORLDNKHT-ZDUSSCGKSA-N 1 1 281.425 2.590 50 0 CFAAMO Cc1cc(C)n(-c2cccc(C[N@@H+](C)C[C@@H]3CCOC3)c2)n1 ZINC000216313837 382782913 /nfs/dbraw/zinc/78/29/13/382782913.db2.gz VTFMBCXYELPPNV-KRWDZBQOSA-N 1 1 299.418 2.957 50 0 CFAAMO CCOC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(COC)c1 ZINC000216347748 382783251 /nfs/dbraw/zinc/78/32/51/382783251.db2.gz SAEGMGKKSLABER-MRXNPFEDSA-N 1 1 293.407 2.843 50 0 CFAAMO CC1=CC[N@H+](Cc2cc(CN(C)C)cs2)CC1 ZINC000216413213 382783673 /nfs/dbraw/zinc/78/36/73/382783673.db2.gz XQIQQHGVWQIMFS-UHFFFAOYSA-N 1 1 250.411 2.962 50 0 CFAAMO CC1=CC[N@@H+](Cc2cc(CN(C)C)cs2)CC1 ZINC000216413213 382783675 /nfs/dbraw/zinc/78/36/75/382783675.db2.gz XQIQQHGVWQIMFS-UHFFFAOYSA-N 1 1 250.411 2.962 50 0 CFAAMO O[C@@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000222198223 382801569 /nfs/dbraw/zinc/80/15/69/382801569.db2.gz JNOIPYNYOJXYSP-RDJZCZTQSA-N 1 1 297.402 2.549 50 0 CFAAMO CSc1ccccc1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000222797062 382803198 /nfs/dbraw/zinc/80/31/98/382803198.db2.gz URJRWOOIFUKWMR-OLZOCXBDSA-N 1 1 290.432 2.717 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000225228559 382813578 /nfs/dbraw/zinc/81/35/78/382813578.db2.gz XQDKPUIIDNGSCQ-HIFRSBDPSA-N 1 1 274.364 2.744 50 0 CFAAMO CC(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000225578779 382818380 /nfs/dbraw/zinc/81/83/80/382818380.db2.gz WKFQLSWBGAJWCD-WMLDXEAASA-N 1 1 274.408 2.781 50 0 CFAAMO O=C(NCCn1cc[nH+]c1C1CC1)Nc1cccs1 ZINC000225567650 382818472 /nfs/dbraw/zinc/81/84/72/382818472.db2.gz MQYVMSKXMSSWLD-UHFFFAOYSA-N 1 1 276.365 2.644 50 0 CFAAMO CCOc1ccccc1C(=O)NCCn1cc[nH+]c1C1CC1 ZINC000225565851 382818702 /nfs/dbraw/zinc/81/87/02/382818702.db2.gz MBKCGKMXOQSXER-UHFFFAOYSA-N 1 1 299.374 2.589 50 0 CFAAMO C[N@H+]1C[C@H](C(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751730 382831337 /nfs/dbraw/zinc/83/13/37/382831337.db2.gz ZJWWAGNNJPQPEN-MSOLQXFVSA-N 1 1 294.398 2.648 50 0 CFAAMO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720602 382852905 /nfs/dbraw/zinc/85/29/05/382852905.db2.gz HKLWRDKEQSPEPS-GDBMZVCRSA-N 1 1 274.408 2.781 50 0 CFAAMO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229869280 382853488 /nfs/dbraw/zinc/85/34/88/382853488.db2.gz MYXTVALRDZDKKO-JYJNAYRXSA-N 1 1 296.455 2.571 50 0 CFAAMO CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229869264 382853661 /nfs/dbraw/zinc/85/36/61/382853661.db2.gz MYXTVALRDZDKKO-XHSDSOJGSA-N 1 1 296.455 2.571 50 0 CFAAMO Cc1cnn(-c2ccc(N[C@H]3C[N@H+](C)C[C@H]3C)cc2F)c1 ZINC000230181161 382857078 /nfs/dbraw/zinc/85/70/78/382857078.db2.gz FGGABPFQXWWFAE-DOMZBBRYSA-N 1 1 288.370 2.682 50 0 CFAAMO Cn1cncc1CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237932125 382974054 /nfs/dbraw/zinc/97/40/54/382974054.db2.gz KBTJMTNQCIPPAQ-KRWDZBQOSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1cncc1CNC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237932125 382974056 /nfs/dbraw/zinc/97/40/56/382974056.db2.gz KBTJMTNQCIPPAQ-KRWDZBQOSA-N 1 1 298.434 2.564 50 0 CFAAMO C[N@@H+]1CCN(Cc2cscn2)C[C@H]1c1ccccc1 ZINC000239347097 382981224 /nfs/dbraw/zinc/98/12/24/382981224.db2.gz MCHPXFRQWAKGHB-HNNXBMFYSA-N 1 1 273.405 2.632 50 0 CFAAMO C[N@H+]1CCN(Cc2cscn2)C[C@H]1c1ccccc1 ZINC000239347097 382981229 /nfs/dbraw/zinc/98/12/29/382981229.db2.gz MCHPXFRQWAKGHB-HNNXBMFYSA-N 1 1 273.405 2.632 50 0 CFAAMO CC(C)Cn1cncc1C[N@@H+](C)CCC1CCOCC1 ZINC000240824811 382982345 /nfs/dbraw/zinc/98/23/45/382982345.db2.gz QLBSLACTMOESTR-UHFFFAOYSA-N 1 1 279.428 2.788 50 0 CFAAMO C[N@@H+]1CCN(Cc2nccs2)C[C@H]1c1ccccc1 ZINC000240499999 382982557 /nfs/dbraw/zinc/98/25/57/382982557.db2.gz NQGQYZQPQRYLNH-AWEZNQCLSA-N 1 1 273.405 2.632 50 0 CFAAMO C[N@H+]1CCN(Cc2nccs2)C[C@H]1c1ccccc1 ZINC000240499999 382982560 /nfs/dbraw/zinc/98/25/60/382982560.db2.gz NQGQYZQPQRYLNH-AWEZNQCLSA-N 1 1 273.405 2.632 50 0 CFAAMO CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC)C[C@H]2C)C1 ZINC000241588373 382983714 /nfs/dbraw/zinc/98/37/14/382983714.db2.gz PCPAWUNGKCLTJV-LXTVHRRPSA-N 1 1 270.486 2.981 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000241776828 382984806 /nfs/dbraw/zinc/98/48/06/382984806.db2.gz RTAJWLIATTVDJQ-QWHCGFSZSA-N 1 1 282.428 2.974 50 0 CFAAMO COCCCCc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000241965616 382984809 /nfs/dbraw/zinc/98/48/09/382984809.db2.gz UUJLNPTYYVLBBG-XQQFMLRXSA-N 1 1 281.400 2.973 50 0 CFAAMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1cccs1 ZINC000242292540 382985651 /nfs/dbraw/zinc/98/56/51/382985651.db2.gz YNBWQYZNPYOSMS-YRGRVCCFSA-N 1 1 253.411 2.772 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648791 382986638 /nfs/dbraw/zinc/98/66/38/382986638.db2.gz RIJFNUHYNBVLOZ-XFMPKHEZSA-N 1 1 284.359 2.655 50 0 CFAAMO COc1cccc2c1OCCC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000244626695 382989516 /nfs/dbraw/zinc/98/95/16/382989516.db2.gz FQRUMEBZVCWSKF-AWEZNQCLSA-N 1 1 291.391 2.706 50 0 CFAAMO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)[nH]1 ZINC000244678857 382989929 /nfs/dbraw/zinc/98/99/29/382989929.db2.gz ILMIZPXHHBJKRT-OAHLLOKOSA-N 1 1 299.422 2.749 50 0 CFAAMO CCc1nnc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)[nH]1 ZINC000244678857 382989932 /nfs/dbraw/zinc/98/99/32/382989932.db2.gz ILMIZPXHHBJKRT-OAHLLOKOSA-N 1 1 299.422 2.749 50 0 CFAAMO Cc1ccc2[nH]c(CN3CCC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000244633489 382990069 /nfs/dbraw/zinc/99/00/69/382990069.db2.gz GDWKZHWQXWOUSP-AWEZNQCLSA-N 1 1 284.407 2.541 50 0 CFAAMO Cc1ccc2nc(CN3CCC[N@@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000244633489 382990072 /nfs/dbraw/zinc/99/00/72/382990072.db2.gz GDWKZHWQXWOUSP-AWEZNQCLSA-N 1 1 284.407 2.541 50 0 CFAAMO Cc1ccc2nc(CN3CCC[N@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000244633489 382990075 /nfs/dbraw/zinc/99/00/75/382990075.db2.gz GDWKZHWQXWOUSP-AWEZNQCLSA-N 1 1 284.407 2.541 50 0 CFAAMO C[N@@H+](CCn1cnc2ccccc21)CC1(CO)CCCC1 ZINC000244748752 382991380 /nfs/dbraw/zinc/99/13/80/382991380.db2.gz ONTCODGHOJXOAT-UHFFFAOYSA-N 1 1 287.407 2.521 50 0 CFAAMO CCn1ccc(C[N@@H+](C)[C@@H](C)Cc2ncccc2C)n1 ZINC000244719010 382991766 /nfs/dbraw/zinc/99/17/66/382991766.db2.gz LUYGLLLKFNYOJE-AWEZNQCLSA-N 1 1 272.396 2.669 50 0 CFAAMO CN(CC[C@H]1CCC[N@H+]1C)Cc1[nH]nc2c1CCCCC2 ZINC000244773913 382991916 /nfs/dbraw/zinc/99/19/16/382991916.db2.gz PIQYMKFKWMTQQK-CQSZACIVSA-N 1 1 290.455 2.595 50 0 CFAAMO CN(CC[C@H]1CCC[N@@H+]1C)Cc1n[nH]c2c1CCCCC2 ZINC000244773913 382991921 /nfs/dbraw/zinc/99/19/21/382991921.db2.gz PIQYMKFKWMTQQK-CQSZACIVSA-N 1 1 290.455 2.595 50 0 CFAAMO COc1cc(C)ccc1OCC[NH+]1CC(c2ccccn2)C1 ZINC000244794861 382992565 /nfs/dbraw/zinc/99/25/65/382992565.db2.gz QVHUZSRVMFXJRL-UHFFFAOYSA-N 1 1 298.386 2.877 50 0 CFAAMO C[N@@H+](CCn1ccc2ccccc21)C[C@@H]1CCCOC1 ZINC000244899506 382993843 /nfs/dbraw/zinc/99/38/43/382993843.db2.gz ZKVYWUVQAMVHEU-HNNXBMFYSA-N 1 1 272.392 3.000 50 0 CFAAMO COCCC[N@H+](C)Cc1nc(C)cc(-c2ccccc2)n1 ZINC000244884369 382994515 /nfs/dbraw/zinc/99/45/15/382994515.db2.gz YLGKVRDTYBXKMY-UHFFFAOYSA-N 1 1 285.391 2.920 50 0 CFAAMO COCCC[N@@H+](C)Cc1nc(C)cc(-c2ccccc2)n1 ZINC000244884369 382994518 /nfs/dbraw/zinc/99/45/18/382994518.db2.gz YLGKVRDTYBXKMY-UHFFFAOYSA-N 1 1 285.391 2.920 50 0 CFAAMO CCC[N@@H+](CCn1cc(Cl)cn1)Cc1ccccn1 ZINC000244899966 382995831 /nfs/dbraw/zinc/99/58/31/382995831.db2.gz ZTQDCEKQIMNWJP-UHFFFAOYSA-N 1 1 278.787 2.844 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)C12CCC2 ZINC000247136721 383146165 /nfs/dbraw/zinc/14/61/65/383146165.db2.gz AWTPMGAGJUTLCY-DGXTUMSLSA-N 1 1 280.456 2.652 50 0 CFAAMO C[C@@H]1C[C@H](NCc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118627 383114931 /nfs/dbraw/zinc/11/49/31/383114931.db2.gz WCFJVJDFJXUAKJ-UKRRQHHQSA-N 1 1 271.408 2.751 50 0 CFAAMO C[C@@H]1C[C@H](NCc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118627 383114934 /nfs/dbraw/zinc/11/49/34/383114934.db2.gz WCFJVJDFJXUAKJ-UKRRQHHQSA-N 1 1 271.408 2.751 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000248146561 383214456 /nfs/dbraw/zinc/21/44/56/383214456.db2.gz SBPSTKIOKIZLLH-DLBZAZTESA-N 1 1 297.402 2.867 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccoc1C ZINC000248036229 383207465 /nfs/dbraw/zinc/20/74/65/383207465.db2.gz QXWQBHLVBLLNHI-HUUCEWRRSA-N 1 1 276.380 2.677 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCc2ccccc21 ZINC000248116703 383211960 /nfs/dbraw/zinc/21/19/60/383211960.db2.gz IWAAEBDXSPBRLY-KZNAEPCWSA-N 1 1 298.430 2.802 50 0 CFAAMO CCc1nn(C)cc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000248887825 383304253 /nfs/dbraw/zinc/30/42/53/383304253.db2.gz AJJXNVUAHFGBSY-GUYCJALGSA-N 1 1 284.407 2.961 50 0 CFAAMO C[C@H](CC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 ZINC000249031035 383317948 /nfs/dbraw/zinc/31/79/48/383317948.db2.gz RDHRJKZXSBQHAD-ILXRZTDVSA-N 1 1 297.464 2.934 50 0 CFAAMO C[C@H]1C[N@H+](Cc2cncn2C2CCCCC2)CCCO1 ZINC000252504541 383415237 /nfs/dbraw/zinc/41/52/37/383415237.db2.gz VJYJJBYMGBPQHQ-AWEZNQCLSA-N 1 1 277.412 2.999 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2cncn2C2CCCCC2)CCCO1 ZINC000252504541 383415242 /nfs/dbraw/zinc/41/52/42/383415242.db2.gz VJYJJBYMGBPQHQ-AWEZNQCLSA-N 1 1 277.412 2.999 50 0 CFAAMO c1cnn(CC[N@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000426398141 383398877 /nfs/dbraw/zinc/39/88/77/383398877.db2.gz RCQMBIUJAWEVOV-OAHLLOKOSA-N 1 1 256.353 2.505 50 0 CFAAMO Cc1nncn1CC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426493917 383402988 /nfs/dbraw/zinc/40/29/88/383402988.db2.gz DDYJCWQNWCDFJU-MRXNPFEDSA-N 1 1 284.407 2.712 50 0 CFAAMO C[C@@H]1CCC[C@@H](CC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000252506863 383416047 /nfs/dbraw/zinc/41/60/47/383416047.db2.gz XDRCHXIBLMXJAU-RBSFLKMASA-N 1 1 266.429 2.661 50 0 CFAAMO Cc1cc(C)cc(N2CCC(N3CC[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000426544635 383405379 /nfs/dbraw/zinc/40/53/79/383405379.db2.gz CDXSGOGGILBGFT-QFBILLFUSA-N 1 1 299.462 2.566 50 0 CFAAMO O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@H]1CCOC1)c1ccco1 ZINC000252477053 383410049 /nfs/dbraw/zinc/41/00/49/383410049.db2.gz HHSFVANVNJSTHU-OWCLPIDISA-N 1 1 293.407 2.984 50 0 CFAAMO C[N@@H+](CCc1cn[nH]c1)[C@@H]1CCCc2ccccc21 ZINC000252483745 383411150 /nfs/dbraw/zinc/41/11/50/383411150.db2.gz FHROJGRIZUQSAT-MRXNPFEDSA-N 1 1 255.365 2.962 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000249702884 383356943 /nfs/dbraw/zinc/35/69/43/383356943.db2.gz ZHIJIYHYIJUCJB-ARFHVFGLSA-N 1 1 276.424 2.818 50 0 CFAAMO COc1ccc([C@H](C)C[N@H+]2CCC[C@](C)(CO)C2)cc1 ZINC000253370671 383452953 /nfs/dbraw/zinc/45/29/53/383452953.db2.gz UOCHPJGVVNYLQU-PBHICJAKSA-N 1 1 277.408 2.893 50 0 CFAAMO CCn1c(C)nnc1SCC[C@H]1CCCC[N@H+]1C ZINC000253416116 383456453 /nfs/dbraw/zinc/45/64/53/383456453.db2.gz PMQAXROBZISLDQ-GFCCVEGCSA-N 1 1 268.430 2.573 50 0 CFAAMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000253471643 383460471 /nfs/dbraw/zinc/46/04/71/383460471.db2.gz WQEACRKNPKAUDS-JYJNAYRXSA-N 1 1 272.392 2.679 50 0 CFAAMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccnc(Cl)c1 ZINC000252517362 383417268 /nfs/dbraw/zinc/41/72/68/383417268.db2.gz GPMYXZOTTKBVSX-JSGCOSHPSA-N 1 1 279.815 2.794 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000252537781 383418386 /nfs/dbraw/zinc/41/83/86/383418386.db2.gz MHWLXAGRVWUKOX-UONOGXRCSA-N 1 1 255.402 2.944 50 0 CFAAMO COc1cccc(C[N@H+]2CCCCCCNC(=O)CC2)c1 ZINC000257176924 383489878 /nfs/dbraw/zinc/48/98/78/383489878.db2.gz DETMWXOOAPZYTK-UHFFFAOYSA-N 1 1 290.407 2.578 50 0 CFAAMO CC(=O)N1CCC[C@@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000257185244 383491931 /nfs/dbraw/zinc/49/19/31/383491931.db2.gz JJIAHOWJRGVQEI-AWEZNQCLSA-N 1 1 263.385 2.573 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)C(C)C)C2)n1C(C)C ZINC000257185976 383492115 /nfs/dbraw/zinc/49/21/15/383492115.db2.gz YCHZVGMRMRLYIK-CQSZACIVSA-N 1 1 277.412 2.819 50 0 CFAAMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cccn2)n1 ZINC000257365734 383496381 /nfs/dbraw/zinc/49/63/81/383496381.db2.gz JFKPMDLDAFVMAV-STQMWFEESA-N 1 1 289.383 2.615 50 0 CFAAMO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H]2Cn2cccn2)n1 ZINC000257365734 383496386 /nfs/dbraw/zinc/49/63/86/383496386.db2.gz JFKPMDLDAFVMAV-STQMWFEESA-N 1 1 289.383 2.615 50 0 CFAAMO CN1CC[N@@H+](Cc2cccc(N)c2)C2(CCCCC2)C1 ZINC000261766452 383555468 /nfs/dbraw/zinc/55/54/68/383555468.db2.gz YNAKFLXBERFCRH-UHFFFAOYSA-N 1 1 273.424 2.719 50 0 CFAAMO C[N@@H+]1CCN(Cc2cccc(N)c2)C2(CCCCC2)C1 ZINC000261766452 383555472 /nfs/dbraw/zinc/55/54/72/383555472.db2.gz YNAKFLXBERFCRH-UHFFFAOYSA-N 1 1 273.424 2.719 50 0 CFAAMO C[N@H+]1CCN(Cc2cccc(N)c2)C2(CCCCC2)C1 ZINC000261766452 383555475 /nfs/dbraw/zinc/55/54/75/383555475.db2.gz YNAKFLXBERFCRH-UHFFFAOYSA-N 1 1 273.424 2.719 50 0 CFAAMO Cn1cc(CC[N@H+]2CCC[C@H]2c2ccccc2)cn1 ZINC000265623345 383961362 /nfs/dbraw/zinc/96/13/62/383961362.db2.gz RBYNYUATUMOVGP-INIZCTEOSA-N 1 1 255.365 2.800 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)nn1 ZINC000283021628 385424323 /nfs/dbraw/zinc/42/43/23/385424323.db2.gz GXDFJFAOWFCMRQ-XJKSGUPXSA-N 1 1 283.375 2.863 50 0 CFAAMO Cc1ccc(CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000095371604 184957091 /nfs/dbraw/zinc/95/70/91/184957091.db2.gz WVAYSVZCTSOUFG-KRWDZBQOSA-N 1 1 288.435 2.918 50 0 CFAAMO O=C(NC[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004580107 393459147 /nfs/dbraw/zinc/45/91/47/393459147.db2.gz SHCDZBIGLVHHTL-UHFFFAOYSA-N 1 1 276.424 2.762 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000032888194 393516194 /nfs/dbraw/zinc/51/61/94/393516194.db2.gz DXMIHUUKOFHYQY-LBPRGKRZSA-N 1 1 278.421 2.507 50 0 CFAAMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1F ZINC000036907738 393525189 /nfs/dbraw/zinc/52/51/89/393525189.db2.gz WFPZAPNLWPQIOM-DVOMOZLQSA-N 1 1 264.388 2.687 50 0 CFAAMO CO[C@]1(C)CCC[N@@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000684208508 542777328 /nfs/dbraw/zinc/77/73/28/542777328.db2.gz ZNGMQHVIWNZKCZ-MRXNPFEDSA-N 1 1 273.380 2.644 50 0 CFAAMO CCC[N@H+]1CC[C@H](CNc2cnc3ccccc3n2)C1 ZINC000048894270 393607928 /nfs/dbraw/zinc/60/79/28/393607928.db2.gz QZKXLPDOWHMXDF-CYBMUJFWSA-N 1 1 270.380 2.774 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190175023 393579072 /nfs/dbraw/zinc/57/90/72/393579072.db2.gz AEHYPEWACMVHSG-AWEZNQCLSA-N 1 1 290.407 2.798 50 0 CFAAMO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000191050177 393586950 /nfs/dbraw/zinc/58/69/50/393586950.db2.gz OZHFYBVNJNQYPR-IMJJTQAJSA-N 1 1 297.464 2.630 50 0 CFAAMO Cc1csc2c1ncnc2N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000192594716 393626618 /nfs/dbraw/zinc/62/66/18/393626618.db2.gz QQCPETAXBOJKML-NWDGAFQWSA-N 1 1 288.420 2.673 50 0 CFAAMO CC(C)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000069456101 393636568 /nfs/dbraw/zinc/63/65/68/393636568.db2.gz SFADYMBSPAJPRI-UHFFFAOYSA-N 1 1 278.371 2.630 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2C[C@H]2CCCCO2)on1 ZINC000336397963 393732928 /nfs/dbraw/zinc/73/29/28/393732928.db2.gz BBVHRFHTVFUUIU-CHWSQXEVSA-N 1 1 250.342 2.689 50 0 CFAAMO Cc1cc(C)c(C(N)=O)c(N2CC[C@H]3CCCC[C@H]3C2)[nH+]1 ZINC000207297599 393752368 /nfs/dbraw/zinc/75/23/68/393752368.db2.gz KVFOLCVQRWYQJH-KGLIPLIRSA-N 1 1 287.407 2.814 50 0 CFAAMO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCC=C(C)C)C2 ZINC000218923888 393759155 /nfs/dbraw/zinc/75/91/55/393759155.db2.gz IKTHTOYLDVPXKN-MRXNPFEDSA-N 1 1 277.412 2.889 50 0 CFAAMO c1csc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952488 393773000 /nfs/dbraw/zinc/77/30/00/393773000.db2.gz DKRIXOQKGBHLAU-NEPJUHHUSA-N 1 1 284.450 2.630 50 0 CFAAMO c1csc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952488 393773002 /nfs/dbraw/zinc/77/30/02/393773002.db2.gz DKRIXOQKGBHLAU-NEPJUHHUSA-N 1 1 284.450 2.630 50 0 CFAAMO CCC(=O)N1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000092187244 393786190 /nfs/dbraw/zinc/78/61/90/393786190.db2.gz QZOCLVRERCZHTF-UHFFFAOYSA-N 1 1 285.391 2.612 50 0 CFAAMO c1csc(N2CCC[N@H+](Cc3ccsc3)CC2)n1 ZINC000092483100 393789072 /nfs/dbraw/zinc/78/90/72/393789072.db2.gz YPZQMVLLKYVWQY-UHFFFAOYSA-N 1 1 279.434 2.917 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](Cn2ccc3ccccc3c2=O)C1 ZINC000095361530 393811585 /nfs/dbraw/zinc/81/15/85/393811585.db2.gz KMXNKNDHTJTGEH-CQSZACIVSA-N 1 1 270.376 2.732 50 0 CFAAMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095999945 393814481 /nfs/dbraw/zinc/81/44/81/393814481.db2.gz FAXLANMYWHKUMS-HNNXBMFYSA-N 1 1 298.390 2.748 50 0 CFAAMO Cc1nc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)oc1C ZINC000096412979 393824638 /nfs/dbraw/zinc/82/46/38/393824638.db2.gz UDJOAADTBHGJCD-UHFFFAOYSA-N 1 1 297.399 2.638 50 0 CFAAMO Cc1nc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)oc1C ZINC000096412979 393824642 /nfs/dbraw/zinc/82/46/42/393824642.db2.gz UDJOAADTBHGJCD-UHFFFAOYSA-N 1 1 297.399 2.638 50 0 CFAAMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000096424703 393829815 /nfs/dbraw/zinc/82/98/15/393829815.db2.gz VRLDIEKJAWJMLI-OLZOCXBDSA-N 1 1 268.788 2.860 50 0 CFAAMO Cc1nc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)oc1C ZINC000252486739 393935400 /nfs/dbraw/zinc/93/54/00/393935400.db2.gz MQFDGXMSVBZUTD-UONOGXRCSA-N 1 1 296.436 2.778 50 0 CFAAMO Cc1nc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)oc1C ZINC000252486739 393935405 /nfs/dbraw/zinc/93/54/05/393935405.db2.gz MQFDGXMSVBZUTD-UONOGXRCSA-N 1 1 296.436 2.778 50 0 CFAAMO COc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000252486791 393935467 /nfs/dbraw/zinc/93/54/67/393935467.db2.gz NGHYVUFFYNSIIJ-GOEBONIOSA-N 1 1 261.365 2.696 50 0 CFAAMO Fc1ccc(/C=C/C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000252486445 393935492 /nfs/dbraw/zinc/93/54/92/393935492.db2.gz KBESVMDDYUPCFL-INLBYDQNSA-N 1 1 291.366 2.719 50 0 CFAAMO Fc1ccc(/C=C/C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000252486445 393935495 /nfs/dbraw/zinc/93/54/95/393935495.db2.gz KBESVMDDYUPCFL-INLBYDQNSA-N 1 1 291.366 2.719 50 0 CFAAMO CC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000000171631 134521906 /nfs/dbraw/zinc/52/19/06/134521906.db2.gz DRWWOCGXFKOVAK-UHFFFAOYSA-N 1 1 289.766 2.557 50 0 CFAAMO COC(=O)c1ccc(C[N@@H+](C)CC2=CCCCC2)nc1 ZINC000521396545 394381032 /nfs/dbraw/zinc/38/10/32/394381032.db2.gz YIDCXAWNCPENEC-UHFFFAOYSA-N 1 1 274.364 2.800 50 0 CFAAMO O=c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc2ccccn12 ZINC000026880237 542988756 /nfs/dbraw/zinc/98/87/56/542988756.db2.gz OZEMTDMKEMZKEZ-LSDHHAIUSA-N 1 1 297.402 2.707 50 0 CFAAMO Clc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)c(Cl)c1 ZINC000008733376 397537006 /nfs/dbraw/zinc/53/70/06/397537006.db2.gz QCZQZNFHJQAOJR-LLVKDONJSA-N 1 1 268.147 2.952 50 0 CFAAMO c1n[nH]cc1[C@@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000108858281 397598340 /nfs/dbraw/zinc/59/83/40/397598340.db2.gz COXXFAQVKOSKBU-GFCCVEGCSA-N 1 1 286.379 2.656 50 0 CFAAMO Cc1c([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2)cnn1C ZINC000195575893 397612061 /nfs/dbraw/zinc/61/20/61/397612061.db2.gz KFPXNXWUZDLOGE-INIZCTEOSA-N 1 1 271.364 2.771 50 0 CFAAMO COc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000004744645 170010144 /nfs/dbraw/zinc/01/01/44/170010144.db2.gz CZIFGFIRYFLDKX-CYBMUJFWSA-N 1 1 276.380 2.756 50 0 CFAAMO COc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000004744647 170010207 /nfs/dbraw/zinc/01/02/07/170010207.db2.gz CZIFGFIRYFLDKX-ZDUSSCGKSA-N 1 1 276.380 2.756 50 0 CFAAMO CC(=O)c1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004842827 170028934 /nfs/dbraw/zinc/02/89/34/170028934.db2.gz PJQLVHHZYRUUSX-ZDUSSCGKSA-N 1 1 261.365 3.000 50 0 CFAAMO COCCNc1c(-c2ccc(N)cc2)[nH+]c2ccc(C)cn21 ZINC000004903030 170038876 /nfs/dbraw/zinc/03/88/76/170038876.db2.gz AAQKKNZOYLLLOZ-UHFFFAOYSA-N 1 1 296.374 2.950 50 0 CFAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000005446866 170099735 /nfs/dbraw/zinc/09/97/35/170099735.db2.gz VXWCVTFAHVMOOZ-HOCLYGCPSA-N 1 1 277.408 2.775 50 0 CFAAMO COc1ccc(/C=C\C(=O)OCC[N@@H+](C)C(C)(C)C)cc1 ZINC000005832855 170144944 /nfs/dbraw/zinc/14/49/44/170144944.db2.gz SNDHSZQLNXKMTR-FLIBITNWSA-N 1 1 291.391 2.982 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000006705500 170230580 /nfs/dbraw/zinc/23/05/80/170230580.db2.gz BJOMKBJPUSFMLY-GFCCVEGCSA-N 1 1 280.755 2.593 50 0 CFAAMO Cc1ccccc1C[N@H+](C)Cn1c2ccccc2oc1=O ZINC000007091651 170267315 /nfs/dbraw/zinc/26/73/15/170267315.db2.gz JEOSFIILHUAZKI-UHFFFAOYSA-N 1 1 282.343 2.992 50 0 CFAAMO Cc1ccccc1C[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000007091651 170267316 /nfs/dbraw/zinc/26/73/16/170267316.db2.gz JEOSFIILHUAZKI-UHFFFAOYSA-N 1 1 282.343 2.992 50 0 CFAAMO Cc1ccc(C[NH+](Cc2ccc(C)o2)C[C@H](C)O)o1 ZINC000008320267 170331046 /nfs/dbraw/zinc/33/10/46/170331046.db2.gz PPHGTLLEUMLUDW-NSHDSACASA-N 1 1 263.337 2.872 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(C=O)cc2)C1 ZINC000009261280 170369404 /nfs/dbraw/zinc/36/94/04/170369404.db2.gz RAKUMOBFTRTYFN-OKILXGFUSA-N 1 1 261.365 2.856 50 0 CFAAMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccccc2F)C1 ZINC000009484006 170378595 /nfs/dbraw/zinc/37/85/95/170378595.db2.gz OPRMELGUAVVXLN-RYUDHWBXSA-N 1 1 264.344 2.742 50 0 CFAAMO O=C(CC[N@H+]1CCc2sccc2C1)NC1CCCCC1 ZINC000010093105 170397294 /nfs/dbraw/zinc/39/72/94/170397294.db2.gz FCAXPHICHKDYST-UHFFFAOYSA-N 1 1 292.448 2.945 50 0 CFAAMO C[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000019785480 170865308 /nfs/dbraw/zinc/86/53/08/170865308.db2.gz OITYJBPQIAURJW-ZCFIWIBFSA-N 1 1 268.114 2.519 50 0 CFAAMO c1c[nH]c(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000020234986 171095240 /nfs/dbraw/zinc/09/52/40/171095240.db2.gz LXQYIIZUSFFAKH-OAHLLOKOSA-N 1 1 276.428 2.544 50 0 CFAAMO Cc1cccc(C[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000020246070 171099487 /nfs/dbraw/zinc/09/94/87/171099487.db2.gz QXJCODFKRKAEBD-UHFFFAOYSA-N 1 1 278.359 2.866 50 0 CFAAMO C[C@H]([NH2+]Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000020445514 171206224 /nfs/dbraw/zinc/20/62/24/171206224.db2.gz MWOUYKUQLQYYNH-LBPRGKRZSA-N 1 1 279.343 2.774 50 0 CFAAMO CC(=O)c1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020653577 171269312 /nfs/dbraw/zinc/26/93/12/171269312.db2.gz JTFXMIRTEGZTLM-KBPBESRZSA-N 1 1 291.391 2.767 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000020941398 171281457 /nfs/dbraw/zinc/28/14/57/171281457.db2.gz FXYCUEQJLXNJLV-CYBMUJFWSA-N 1 1 292.766 2.952 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000020941398 171281459 /nfs/dbraw/zinc/28/14/59/171281459.db2.gz FXYCUEQJLXNJLV-CYBMUJFWSA-N 1 1 292.766 2.952 50 0 CFAAMO COc1cccc(C[C@H]2C[N@@H+](CCCSC)CCO2)c1 ZINC000020997428 171284023 /nfs/dbraw/zinc/28/40/23/171284023.db2.gz BWLJRYJURHRPLJ-INIZCTEOSA-N 1 1 295.448 2.692 50 0 CFAAMO CSCC[C@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000021511388 171310676 /nfs/dbraw/zinc/31/06/76/171310676.db2.gz VWQLZXDFPMWBEV-ZETCQYMHSA-N 1 1 255.368 2.551 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)CCc1ccsc1)c1ccco1 ZINC000022381258 171385826 /nfs/dbraw/zinc/38/58/26/171385826.db2.gz SAIJNPIENUBKOV-CYBMUJFWSA-N 1 1 292.404 2.693 50 0 CFAAMO CC[C@@H](C)[C@@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000035532318 172243388 /nfs/dbraw/zinc/24/33/88/172243388.db2.gz JASTXYIDBLQRNL-PRHODGIISA-N 1 1 275.308 2.511 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC000661737953 414185295 /nfs/dbraw/zinc/18/52/95/414185295.db2.gz MVLHNOYBJUPEHB-INIZCTEOSA-N 1 1 261.365 2.622 50 0 CFAAMO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1ccccc1C ZINC000040161822 174196389 /nfs/dbraw/zinc/19/63/89/174196389.db2.gz NTODZIXSFULULU-UHFFFAOYSA-N 1 1 262.397 2.732 50 0 CFAAMO C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000040556367 174330865 /nfs/dbraw/zinc/33/08/65/174330865.db2.gz NHOOEDODNWKEOS-UHFFFAOYSA-N 1 1 284.359 2.804 50 0 CFAAMO C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000040556367 174330867 /nfs/dbraw/zinc/33/08/67/174330867.db2.gz NHOOEDODNWKEOS-UHFFFAOYSA-N 1 1 284.359 2.804 50 0 CFAAMO C[NH2+]C[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000040601296 174351519 /nfs/dbraw/zinc/35/15/19/174351519.db2.gz PORYXGKEHZSMDO-CQSZACIVSA-N 1 1 269.392 2.666 50 0 CFAAMO C[N@@H+](CCC(=O)NC1CC1)Cc1ccc(Cl)s1 ZINC000045735715 175382464 /nfs/dbraw/zinc/38/24/64/175382464.db2.gz PTCQGBYFGOIPCV-UHFFFAOYSA-N 1 1 272.801 2.502 50 0 CFAAMO CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000058365120 175620893 /nfs/dbraw/zinc/62/08/93/175620893.db2.gz NEQUDIWDUYHBBD-OAHLLOKOSA-N 1 1 288.435 2.812 50 0 CFAAMO CCOC(=O)c1nccn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071575365 176202684 /nfs/dbraw/zinc/20/26/84/176202684.db2.gz DDUZWNLTDSSUEG-HNNXBMFYSA-N 1 1 299.374 2.507 50 0 CFAAMO CCOC(=O)c1nccn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071575363 176202989 /nfs/dbraw/zinc/20/29/89/176202989.db2.gz DDUZWNLTDSSUEG-OAHLLOKOSA-N 1 1 299.374 2.507 50 0 CFAAMO CC[C@H]1C[N@@H+](CC2CC2)CCC(=O)N1Cc1ccccc1 ZINC000071681602 176245341 /nfs/dbraw/zinc/24/53/41/176245341.db2.gz PZEGBXZOBNKYSP-KRWDZBQOSA-N 1 1 286.419 2.910 50 0 CFAAMO CC1=CC[C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)C[C@@H]2C1 ZINC000071752503 176260336 /nfs/dbraw/zinc/26/03/36/176260336.db2.gz GXENYXCJJRWRGR-SJORKVTESA-N 1 1 287.403 2.846 50 0 CFAAMO c1ccc([C@H]2C[N@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804919 176266985 /nfs/dbraw/zinc/26/69/85/176266985.db2.gz IFUPOTDLWSCFJV-QGZVFWFLSA-N 1 1 268.360 2.698 50 0 CFAAMO c1ccc([C@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804919 176266986 /nfs/dbraw/zinc/26/69/86/176266986.db2.gz IFUPOTDLWSCFJV-QGZVFWFLSA-N 1 1 268.360 2.698 50 0 CFAAMO C[N@@H+]1CCN(C(=O)CCc2ccco2)[C@H](c2ccccc2)C1 ZINC000071858590 176279575 /nfs/dbraw/zinc/27/95/75/176279575.db2.gz HVNMLNLPKDKSFF-KRWDZBQOSA-N 1 1 298.386 2.728 50 0 CFAAMO C[N@H+]1CCN(C(=O)CCc2ccco2)[C@H](c2ccccc2)C1 ZINC000071858590 176279576 /nfs/dbraw/zinc/27/95/76/176279576.db2.gz HVNMLNLPKDKSFF-KRWDZBQOSA-N 1 1 298.386 2.728 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000071870676 176283962 /nfs/dbraw/zinc/28/39/62/176283962.db2.gz LZQXRKHHTMLOSF-ZDUSSCGKSA-N 1 1 289.404 2.984 50 0 CFAAMO Cc1nc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)oc1C ZINC000071875300 176284893 /nfs/dbraw/zinc/28/48/93/176284893.db2.gz NIZSRBLDPNUMDU-CQSZACIVSA-N 1 1 274.368 2.543 50 0 CFAAMO Cc1nc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)oc1C ZINC000071875300 176284894 /nfs/dbraw/zinc/28/48/94/176284894.db2.gz NIZSRBLDPNUMDU-CQSZACIVSA-N 1 1 274.368 2.543 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000071880486 176287880 /nfs/dbraw/zinc/28/78/80/176287880.db2.gz GRVCQGMQKIEZQR-DLBZAZTESA-N 1 1 290.382 2.801 50 0 CFAAMO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(O)CC1 ZINC000071900491 176294022 /nfs/dbraw/zinc/29/40/22/176294022.db2.gz UDBHREHJIGINIO-JTQLQIEISA-N 1 1 284.197 2.967 50 0 CFAAMO COc1ccccc1OC1C[NH+](CC[C@@H](C)SC)C1 ZINC000072148495 176325466 /nfs/dbraw/zinc/32/54/66/176325466.db2.gz MUAPXNFPHRFNNP-GFCCVEGCSA-N 1 1 281.421 2.900 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CC(c2ccncc2)C1 ZINC000072161720 176329841 /nfs/dbraw/zinc/32/98/41/176329841.db2.gz CSUMGSBNKUUYMQ-ZDUSSCGKSA-N 1 1 298.390 2.589 50 0 CFAAMO Clc1cnccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072300379 176364581 /nfs/dbraw/zinc/36/45/81/176364581.db2.gz NMJBRDCZFGEHDJ-LBPRGKRZSA-N 1 1 276.771 2.838 50 0 CFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000072304812 176365849 /nfs/dbraw/zinc/36/58/49/176365849.db2.gz SKNUOZRFSRYRBX-CQSZACIVSA-N 1 1 275.396 2.801 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc(-c2cccc(C)c2)no1 ZINC000072329909 176370108 /nfs/dbraw/zinc/37/01/08/176370108.db2.gz LROQECHXQPDDOG-UHFFFAOYSA-N 1 1 254.293 2.598 50 0 CFAAMO c1cc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cs1 ZINC000077319725 177251555 /nfs/dbraw/zinc/25/15/55/177251555.db2.gz OFRSLNMWKUAHLF-MRXNPFEDSA-N 1 1 294.464 2.825 50 0 CFAAMO Cc1cc(C)nc(C[N@H+]2CCCC[C@H]2CCn2cccn2)n1 ZINC000077379163 177260794 /nfs/dbraw/zinc/26/07/94/177260794.db2.gz USZQNFVNZKARBH-INIZCTEOSA-N 1 1 299.422 2.735 50 0 CFAAMO CCNc1ncc(C[N@H+]2CCCC[C@@H]2CCCOC)cn1 ZINC000077554012 177280523 /nfs/dbraw/zinc/28/05/23/177280523.db2.gz URZHSTYFUQIUQD-OAHLLOKOSA-N 1 1 292.427 2.690 50 0 CFAAMO CCN(Cc1ccoc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000078519070 177349499 /nfs/dbraw/zinc/34/94/99/177349499.db2.gz KCKIXHUDXGUXIJ-UHFFFAOYSA-N 1 1 293.411 2.686 50 0 CFAAMO O[C@@H]1C[N@H+](C2Cc3ccccc3C2)Cc2ccccc21 ZINC000082156724 275054455 /nfs/dbraw/zinc/05/44/55/275054455.db2.gz KPJCXKOACXOLSD-GOSISDBHSA-N 1 1 265.356 2.703 50 0 CFAAMO O[C@H]1C[N@H+](C2Cc3ccccc3C2)Cc2ccccc21 ZINC000082156726 275059096 /nfs/dbraw/zinc/05/90/96/275059096.db2.gz KPJCXKOACXOLSD-SFHVURJKSA-N 1 1 265.356 2.703 50 0 CFAAMO CCOC(=O)[C@@H]1C[C@H](c2ccccc2)[N@H+]2CCC[C@@H]12 ZINC000014987501 276289375 /nfs/dbraw/zinc/28/93/75/276289375.db2.gz XJCLMIPLNVXPDG-QLFBSQMISA-N 1 1 259.349 2.775 50 0 biogenic,in-vitro CFAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000244716056 277042745 /nfs/dbraw/zinc/04/27/45/277042745.db2.gz LHPHVSXULJAEBM-JKSUJKDBSA-N 1 1 272.392 2.834 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000089643069 277151779 /nfs/dbraw/zinc/15/17/79/277151779.db2.gz MOINEFTZFLKOLB-OAGGEKHMSA-N 1 1 280.456 2.797 50 0 CFAAMO CC[NH+]1CCN(Cc2c(C)[nH]c3ccc(C)cc3c2=O)CC1 ZINC000019791639 279363284 /nfs/dbraw/zinc/36/32/84/279363284.db2.gz HDBAOTXYSGFTBO-UHFFFAOYSA-N 1 1 299.418 2.695 50 0 CFAAMO Cc1c(C)n(C2CCCCC2)c2nc[nH+]c(NCCO)c12 ZINC000009420597 280223756 /nfs/dbraw/zinc/22/37/56/280223756.db2.gz GHLILIIPRJFMAH-UHFFFAOYSA-N 1 1 288.395 2.958 50 0 CFAAMO Cc1c([C@@H]2CCCN2c2cccc(C)[nH+]2)cnn1C ZINC000097163406 280254111 /nfs/dbraw/zinc/25/41/11/280254111.db2.gz AVGRBXUJBBCLED-AWEZNQCLSA-N 1 1 256.353 2.773 50 0 CFAAMO Cc1ccc2c(c1)C[N@H+](Cc1cccn1C)CCO2 ZINC000289258367 281071709 /nfs/dbraw/zinc/07/17/09/281071709.db2.gz FOEZNPBRMDHIGV-UHFFFAOYSA-N 1 1 256.349 2.728 50 0 CFAAMO Cc1ccc2c(c1)C[N@@H+](Cc1cccn1C)CCO2 ZINC000289258367 281071711 /nfs/dbraw/zinc/07/17/11/281071711.db2.gz FOEZNPBRMDHIGV-UHFFFAOYSA-N 1 1 256.349 2.728 50 0 CFAAMO Cc1cccc(N[C@@H](C)C(=O)N2CCCC[C@@H]2C)[nH+]1 ZINC000157361614 281247688 /nfs/dbraw/zinc/24/76/88/281247688.db2.gz QZOCZWUHMPESQS-STQMWFEESA-N 1 1 261.369 2.591 50 0 CFAAMO C[NH+](C)CC(=O)N1c2ccccc2CCc2ccc(N)cc21 ZINC000003683828 289075536 /nfs/dbraw/zinc/07/55/36/289075536.db2.gz FSWSSSCWSMLDKV-UHFFFAOYSA-N 1 1 295.386 2.594 50 0 CFAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccoc2)C1)c1ccco1 ZINC000828188872 782082086 /nfs/dbraw/zinc/08/20/86/782082086.db2.gz IIJCXAVESLMCEM-CYBMUJFWSA-N 1 1 288.347 2.515 50 0 CFAAMO CC1(C)CC(NCc2cccc3c[nH]nc32)CC(C)(C)[NH2+]1 ZINC000097102377 323619119 /nfs/dbraw/zinc/61/91/19/323619119.db2.gz GLJBGPHHTHDQDH-UHFFFAOYSA-N 1 1 286.423 2.962 50 0 CFAAMO CC(=O)c1cccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000007811352 326822152 /nfs/dbraw/zinc/82/21/52/326822152.db2.gz YMKMCEKJXFQGRF-CHWSQXEVSA-N 1 1 288.391 2.806 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000060131685 327018464 /nfs/dbraw/zinc/01/84/64/327018464.db2.gz IKGREBAJZFBXNC-ZDUSSCGKSA-N 1 1 277.364 2.916 50 0 CFAAMO COc1ccc(NC(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000007786545 534074636 /nfs/dbraw/zinc/07/46/36/534074636.db2.gz CUZNXICKANZSIZ-UHFFFAOYSA-N 1 1 276.380 2.898 50 0 CFAAMO Cc1ccsc1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000097657064 534470428 /nfs/dbraw/zinc/47/04/28/534470428.db2.gz XMPWUINSXWWHMZ-GFCCVEGCSA-N 1 1 261.394 2.910 50 0 CFAAMO CC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000004991305 521370665 /nfs/dbraw/zinc/37/06/65/521370665.db2.gz NLFDCJIOQNLUBO-KRWDZBQOSA-N 1 1 285.387 2.948 50 0 CFAAMO CC[N@H+](Cc1nc(-c2cnccn2)no1)Cc1ccccc1 ZINC000012314932 521448198 /nfs/dbraw/zinc/44/81/98/521448198.db2.gz FULCJUHSMCQTIM-UHFFFAOYSA-N 1 1 295.346 2.549 50 0 CFAAMO CC[N@@H+](Cc1nc(-c2cnccn2)no1)Cc1ccccc1 ZINC000012314932 521448207 /nfs/dbraw/zinc/44/82/07/521448207.db2.gz FULCJUHSMCQTIM-UHFFFAOYSA-N 1 1 295.346 2.549 50 0 CFAAMO CN(C)c1ncc(C[N@@H+]2CCOC3(CCCCC3)C2)s1 ZINC000353649833 522342407 /nfs/dbraw/zinc/34/24/07/522342407.db2.gz UHELTRIEEPFDKJ-UHFFFAOYSA-N 1 1 295.452 2.744 50 0 CFAAMO CN(C)c1ncc(C[N@H+]2CCOC3(CCCCC3)C2)s1 ZINC000353649833 522342417 /nfs/dbraw/zinc/34/24/17/522342417.db2.gz UHELTRIEEPFDKJ-UHFFFAOYSA-N 1 1 295.452 2.744 50 0 CFAAMO COc1ccc([C@H](C)[NH2+]Cc2[nH]ncc2C)cc1F ZINC000340044260 525325907 /nfs/dbraw/zinc/32/59/07/525325907.db2.gz WUCBCWIIIFIUPU-JTQLQIEISA-N 1 1 263.316 2.717 50 0 CFAAMO COc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2C)cc1F ZINC000340044260 525325914 /nfs/dbraw/zinc/32/59/14/525325914.db2.gz WUCBCWIIIFIUPU-JTQLQIEISA-N 1 1 263.316 2.717 50 0 CFAAMO O=S1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000098016215 534878131 /nfs/dbraw/zinc/87/81/31/534878131.db2.gz NCXXRNXPXLWTOD-HNNXBMFYSA-N 1 1 263.406 2.518 50 0 CFAAMO Cc1noc(C[N@@H+]2CCSC3(CCCCC3)C2)n1 ZINC000079504255 526614941 /nfs/dbraw/zinc/61/49/41/526614941.db2.gz ZYRNNRDRZJAODW-UHFFFAOYSA-N 1 1 267.398 2.630 50 0 CFAAMO Cc1noc(C[N@H+]2CCSC3(CCCCC3)C2)n1 ZINC000079504255 526614949 /nfs/dbraw/zinc/61/49/49/526614949.db2.gz ZYRNNRDRZJAODW-UHFFFAOYSA-N 1 1 267.398 2.630 50 0 CFAAMO CCCN1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000097971394 528202286 /nfs/dbraw/zinc/20/22/86/528202286.db2.gz CUJBSNUPQOWYPW-UHFFFAOYSA-N 1 1 258.409 2.618 50 0 CFAAMO CCCO[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000097805540 528611624 /nfs/dbraw/zinc/61/16/24/528611624.db2.gz ADKZXAHKMKIPRY-ZDUSSCGKSA-N 1 1 273.380 2.954 50 0 CFAAMO CCCO[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000097805540 528611626 /nfs/dbraw/zinc/61/16/26/528611626.db2.gz ADKZXAHKMKIPRY-ZDUSSCGKSA-N 1 1 273.380 2.954 50 0 CFAAMO CCCc1[nH+]ccn1Cc1noc(-c2scnc2C)n1 ZINC000096485199 528769686 /nfs/dbraw/zinc/76/96/86/528769686.db2.gz ILVNTNIYXUROBV-UHFFFAOYSA-N 1 1 289.364 2.699 50 0 CFAAMO CCS[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000096451435 529212848 /nfs/dbraw/zinc/21/28/48/529212848.db2.gz RZVCHSSRZLYOAZ-CHWSQXEVSA-N 1 1 272.458 2.507 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000241965699 535565231 /nfs/dbraw/zinc/56/52/31/535565231.db2.gz UVAUSNQMFWZRRF-OWCLPIDISA-N 1 1 290.382 2.530 50 0 CFAAMO CC(C)Cn1cncc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000952986695 614243600 /nfs/dbraw/zinc/24/36/00/614243600.db2.gz ALJWNZRUZZMVPI-UHFFFAOYSA-N 1 1 299.378 2.812 50 0 CFAAMO CCC[N@@H+]1CCC[C@H](NCc2ccc(CC)cn2)C1 ZINC000952978793 614676328 /nfs/dbraw/zinc/67/63/28/614676328.db2.gz FKUMBQZLWPYPQQ-INIZCTEOSA-N 1 1 261.413 2.608 50 0 CFAAMO CCC[N@H+]1CCC[C@H](NCc2ccc(CC)cn2)C1 ZINC000952978793 614676332 /nfs/dbraw/zinc/67/63/32/614676332.db2.gz FKUMBQZLWPYPQQ-INIZCTEOSA-N 1 1 261.413 2.608 50 0 CFAAMO CC[C@@H](C(=O)NCCC1CCCCC1)[N@@H+](C)CC ZINC000952979964 615380515 /nfs/dbraw/zinc/38/05/15/615380515.db2.gz QBGYJTXWHGWVIH-AWEZNQCLSA-N 1 1 254.418 2.803 50 0 CFAAMO C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@]1(O)C1CCOCC1 ZINC000091859825 617808811 /nfs/dbraw/zinc/80/88/11/617808811.db2.gz IVNOQHUFTQFYHJ-PBHICJAKSA-N 1 1 281.440 2.676 50 0 CFAAMO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000023375342 618455248 /nfs/dbraw/zinc/45/52/48/618455248.db2.gz JOBDNUMQKUHHRO-GOSISDBHSA-N 1 1 288.435 2.762 50 0 CFAAMO CC(C)(c1ccccc1)c1ccc(OCC[NH2+]CCN)cc1 ZINC000020118551 618800000 /nfs/dbraw/zinc/80/00/00/618800000.db2.gz CGEIVLAZACIRNA-UHFFFAOYSA-N 1 1 298.430 2.940 50 0 CFAAMO CC(C)(C)n1nnc(C[NH2+]C[C@]2(C)C[C@H]2c2ccccc2)n1 ZINC000888101183 619133293 /nfs/dbraw/zinc/13/32/93/619133293.db2.gz NEKILTVXWQQHJZ-YOEHRIQHSA-N 1 1 299.422 2.712 50 0 CFAAMO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H](C3CC3)C2)o1 ZINC000808777941 631045540 /nfs/dbraw/zinc/04/55/40/631045540.db2.gz HZVMNTOVFQHFEC-GFCCVEGCSA-N 1 1 263.385 2.989 50 0 CFAAMO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H](C3CC3)C2)o1 ZINC000808777941 631045542 /nfs/dbraw/zinc/04/55/42/631045542.db2.gz HZVMNTOVFQHFEC-GFCCVEGCSA-N 1 1 263.385 2.989 50 0 CFAAMO Cc1[nH+]ccn1CC(=O)Nc1ccnn1C1CCCCC1 ZINC000048428296 650266309 /nfs/dbraw/zinc/26/63/09/650266309.db2.gz KHNUGFJFMLCCDT-UHFFFAOYSA-N 1 1 287.367 2.532 50 0 CFAAMO Fc1cccc(OCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000194000565 650712604 /nfs/dbraw/zinc/71/26/04/650712604.db2.gz ZRWAGZXRTFPXTB-ZDUSSCGKSA-N 1 1 289.354 2.807 50 0 CFAAMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc[nH]c1)c1ccccc1 ZINC000092784353 650924803 /nfs/dbraw/zinc/92/48/03/650924803.db2.gz LJPKBZHJNIFWDF-KRWDZBQOSA-N 1 1 297.402 2.799 50 0 CFAAMO Cc1ccc(-c2ccccc2CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000216025603 645987263 /nfs/dbraw/zinc/98/72/63/645987263.db2.gz LXKSKCYEUICUFC-IYBDPMFKSA-N 1 1 282.387 2.906 50 0 CFAAMO O=C(/C=C/c1ccccc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000827939363 647818610 /nfs/dbraw/zinc/81/86/10/647818610.db2.gz XRAFKTQORDPCLU-ZHACJKMWSA-N 1 1 284.403 2.787 50 0 CFAAMO O=C(NC1CCCCC1)N1CCC[N@H+](C2CCC2)CC1 ZINC000827939067 647818648 /nfs/dbraw/zinc/81/86/48/647818648.db2.gz GQLNCLAMCZCJIQ-UHFFFAOYSA-N 1 1 279.428 2.589 50 0 CFAAMO C[C@@H](CCc1c[nH]c2ccccc12)[N@@H+]1CCC(=O)N(C)CC1 ZINC000015003078 651184623 /nfs/dbraw/zinc/18/46/23/651184623.db2.gz ZYEJALDSCQPJDU-AWEZNQCLSA-N 1 1 299.418 2.653 50 0 CFAAMO O=C1CC[N@H+](CC2CC2)CCN1Cc1cccc(Cl)c1 ZINC000014999612 651184694 /nfs/dbraw/zinc/18/46/94/651184694.db2.gz YMSXCMOPQCVKGC-UHFFFAOYSA-N 1 1 292.810 2.784 50 0 CFAAMO Cc1cc(C[N@@H+]2CCC[C@H]2c2nccs2)c(=O)[nH]c1C ZINC000019757407 651293297 /nfs/dbraw/zinc/29/32/97/651293297.db2.gz ZRVDIPYZKVRMTQ-ZDUSSCGKSA-N 1 1 289.404 2.785 50 0 CFAAMO Cc1cc(C[N@H+]2CCC[C@H]2c2nccs2)c(=O)[nH]c1C ZINC000019757407 651293300 /nfs/dbraw/zinc/29/33/00/651293300.db2.gz ZRVDIPYZKVRMTQ-ZDUSSCGKSA-N 1 1 289.404 2.785 50 0 CFAAMO c1coc(-c2n[nH]c([C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)c1 ZINC000820414710 781867258 /nfs/dbraw/zinc/86/72/58/781867258.db2.gz GLWZHRHFJOGSCU-VXGBXAGGSA-N 1 1 272.352 2.797 50 0 CFAAMO CCn1cc(C[N@@H+](C)CCc2ccc3c(c2)CCO3)cn1 ZINC000096441434 230372867 /nfs/dbraw/zinc/37/28/67/230372867.db2.gz WSKSSWNSFMOENF-UHFFFAOYSA-N 1 1 285.391 2.512 50 0 CFAAMO Cc1[nH+]cn(CCC(=O)Nc2ccc(C)c(F)c2)c1C ZINC000096484741 230381135 /nfs/dbraw/zinc/38/11/35/230381135.db2.gz GUFNTVSQNRFJTO-UHFFFAOYSA-N 1 1 275.327 2.976 50 0 CFAAMO CCC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095518662 185002358 /nfs/dbraw/zinc/00/23/58/185002358.db2.gz YURBUZQBYOZMSV-INIZCTEOSA-N 1 1 286.419 2.877 50 0 CFAAMO CCOC(=O)/C=C1\CCC[N@@H+](Cc2ccccc2)C1 ZINC000095828957 185028923 /nfs/dbraw/zinc/02/89/23/185028923.db2.gz BKZNISJDCQIXKP-RVDMUPIBSA-N 1 1 259.349 2.772 50 0 CFAAMO O=C(C[NH2+]Cc1ccccc1F)Nc1ccccc1F ZINC000095864171 185030215 /nfs/dbraw/zinc/03/02/15/185030215.db2.gz LGBCTBZUBIADTH-UHFFFAOYSA-N 1 1 276.286 2.693 50 0 CFAAMO Cc1cnc(C[NH2+]Cc2ccc3c(c2)OCCO3)s1 ZINC000095961943 185044232 /nfs/dbraw/zinc/04/42/32/185044232.db2.gz OVDHPWFKADSURK-UHFFFAOYSA-N 1 1 276.361 2.513 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCSc1ccc(S(C)(=O)=O)cc1 ZINC000095975929 185051183 /nfs/dbraw/zinc/05/11/83/185051183.db2.gz GKAUAAVTEVPBJL-GFCCVEGCSA-N 1 1 299.461 2.667 50 0 CFAAMO CCc1nnc(C[NH2+][C@@H](C)c2cccc(C)c2C)n1C ZINC000095985234 185054997 /nfs/dbraw/zinc/05/49/97/185054997.db2.gz JTCHFLFDAYNSBF-ZDUSSCGKSA-N 1 1 272.396 2.845 50 0 CFAAMO C[C@H](O)[C@@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002366 185062238 /nfs/dbraw/zinc/06/22/38/185062238.db2.gz NALGQDMSRZWWHE-WDEREUQCSA-N 1 1 278.377 2.606 50 0 CFAAMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000096002366 185062239 /nfs/dbraw/zinc/06/22/39/185062239.db2.gz NALGQDMSRZWWHE-WDEREUQCSA-N 1 1 278.377 2.606 50 0 CFAAMO Clc1ccccc1O[C@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000125176919 187173401 /nfs/dbraw/zinc/17/34/01/187173401.db2.gz SAKKTNHKPSOQMK-LBPRGKRZSA-N 1 1 297.782 2.556 50 0 CFAAMO Cn1cc(C[N@H+]2CCC[C@](C)(CO)C2)c(-c2ccccc2)n1 ZINC000097033944 185156018 /nfs/dbraw/zinc/15/60/18/185156018.db2.gz SVHXAAFPDQVULE-SFHVURJKSA-N 1 1 299.418 2.682 50 0 CFAAMO Cc1ccc([C@@H]2CSCC[N@H+]2CCCn2ccnc2)o1 ZINC000097034125 185157659 /nfs/dbraw/zinc/15/76/59/185157659.db2.gz YEGPGZFQWOVIRU-AWEZNQCLSA-N 1 1 291.420 2.965 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069328480 539509638 /nfs/dbraw/zinc/50/96/38/539509638.db2.gz GJKZOCFGUZQGQU-IAGOWNOFSA-N 1 1 272.392 2.662 50 0 CFAAMO CC(C)CC(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000022130757 346248226 /nfs/dbraw/zinc/24/82/26/346248226.db2.gz HQNZFIITPQFMJY-UHFFFAOYSA-N 1 1 299.418 2.858 50 0 CFAAMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCSC1)CC2 ZINC000023283039 346252003 /nfs/dbraw/zinc/25/20/03/346252003.db2.gz KYFQUVCQJFGWCO-CYBMUJFWSA-N 1 1 279.405 2.567 50 0 CFAAMO CCO[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)C12CCCC2 ZINC000085680211 179113030 /nfs/dbraw/zinc/11/30/30/179113030.db2.gz SHFPYOSGOXFGHU-KBPBESRZSA-N 1 1 263.385 2.546 50 0 CFAAMO COCCN1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000076046898 347115953 /nfs/dbraw/zinc/11/59/53/347115953.db2.gz FGFPZRPQOKAKQS-GFCCVEGCSA-N 1 1 298.377 2.726 50 0 CFAAMO CC(C)C(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@H]1C ZINC000095882818 347698746 /nfs/dbraw/zinc/69/87/46/347698746.db2.gz PNEKCZNQOVAYFM-BBRMVZONSA-N 1 1 261.365 2.805 50 0 CFAAMO CC[N@H+](Cc1nc(C(F)(F)F)cs1)C(C)(C)CO ZINC000097096441 347706748 /nfs/dbraw/zinc/70/67/48/347706748.db2.gz WENYECUMJDXYBD-UHFFFAOYSA-N 1 1 282.331 2.755 50 0 CFAAMO CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C(C)(C)CO ZINC000097096441 347706750 /nfs/dbraw/zinc/70/67/50/347706750.db2.gz WENYECUMJDXYBD-UHFFFAOYSA-N 1 1 282.331 2.755 50 0 CFAAMO CC(C)N1CCC([NH2+][C@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000097238268 347708775 /nfs/dbraw/zinc/70/87/75/347708775.db2.gz WJNLRSDGVACJSB-UKRRQHHQSA-N 1 1 280.412 2.554 50 0 CFAAMO CC(=O)N1CCC([C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000169789071 348052268 /nfs/dbraw/zinc/05/22/68/348052268.db2.gz BESKPMMYSPWQSM-OAHLLOKOSA-N 1 1 264.413 2.509 50 0 CFAAMO COc1ccc(OC)c(CNc2[nH+]cccc2N(C)C)c1 ZINC000170607124 348056852 /nfs/dbraw/zinc/05/68/52/348056852.db2.gz IZSJQEIRCIQNAZ-UHFFFAOYSA-N 1 1 287.363 2.777 50 0 CFAAMO Cc1ccn2c(C[N@@H+](C)CCc3ccncc3)cnc2c1 ZINC000183758279 348126735 /nfs/dbraw/zinc/12/67/35/348126735.db2.gz OJTLBZGEOFGJJY-UHFFFAOYSA-N 1 1 280.375 2.712 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)cc1F ZINC000091321004 180133767 /nfs/dbraw/zinc/13/37/67/180133767.db2.gz IYZOLJMOVSNZST-PXAZEXFGSA-N 1 1 293.382 2.817 50 0 CFAAMO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cc1Cl ZINC000091364837 180142501 /nfs/dbraw/zinc/14/25/01/180142501.db2.gz YWEOINVIPUCCRC-UONOGXRCSA-N 1 1 294.826 2.875 50 0 CFAAMO CCNc1cc[nH+]c(NC[C@H]2COc3ccccc3C2)n1 ZINC000091586121 180199469 /nfs/dbraw/zinc/19/94/69/180199469.db2.gz VZKKLWBKQYIKET-LBPRGKRZSA-N 1 1 284.363 2.572 50 0 CFAAMO Cc1ccc(F)c(CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c1F ZINC000091518803 180177519 /nfs/dbraw/zinc/17/75/19/180177519.db2.gz TYYGKSPCTSGZJT-QWHCGFSZSA-N 1 1 280.362 2.799 50 0 CFAAMO CC[C@H]1C=CC[N@H+]1Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091552049 180189733 /nfs/dbraw/zinc/18/97/33/180189733.db2.gz IUOAODXLLAAHEV-LBPRGKRZSA-N 1 1 272.323 2.818 50 0 CFAAMO CCCCN(C)C(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000091645620 180214872 /nfs/dbraw/zinc/21/48/72/180214872.db2.gz AWWLHFNIOXEYSH-OAHLLOKOSA-N 1 1 262.397 2.856 50 0 CFAAMO CCCc1ncc(C[N@H+]2CCC[C@](CO)(CCC)C2)cn1 ZINC000091713789 180231779 /nfs/dbraw/zinc/23/17/79/180231779.db2.gz QSHRDVMQNLCSFP-QGZVFWFLSA-N 1 1 291.439 2.804 50 0 CFAAMO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C2)[nH]c2c1c(C)ccc2C ZINC000091620057 180209098 /nfs/dbraw/zinc/20/90/98/180209098.db2.gz JFHWOJPIDCGPBV-AWEZNQCLSA-N 1 1 299.418 2.869 50 0 CFAAMO Cc1ccc([C@H](C(=O)NCCSC(C)C)[NH+](C)C)cc1 ZINC000091624835 180209318 /nfs/dbraw/zinc/20/93/18/180209318.db2.gz JIZHPWRDKSRGSC-OAHLLOKOSA-N 1 1 294.464 2.856 50 0 CFAAMO Cc1nc(NCCc2nc(C(C)C)no2)c(C)c(C)[nH+]1 ZINC000091769550 180249298 /nfs/dbraw/zinc/24/92/98/180249298.db2.gz SOIQVHQQPRQUMA-UHFFFAOYSA-N 1 1 275.356 2.563 50 0 CFAAMO Cc1ncsc1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000091960968 180292365 /nfs/dbraw/zinc/29/23/65/180292365.db2.gz YNSNXIOEDSJHRC-WCQYABFASA-N 1 1 276.409 2.731 50 0 CFAAMO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)c(F)c2F)C1 ZINC000092107059 180326204 /nfs/dbraw/zinc/32/62/04/180326204.db2.gz ORAYTWVAAZCMRW-INIZCTEOSA-N 1 1 299.361 2.958 50 0 CFAAMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OC)c(F)c2F)C1 ZINC000092107059 180326205 /nfs/dbraw/zinc/32/62/05/180326205.db2.gz ORAYTWVAAZCMRW-INIZCTEOSA-N 1 1 299.361 2.958 50 0 CFAAMO CC(C)c1cc(C[N@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)on1 ZINC000092107197 180326584 /nfs/dbraw/zinc/32/65/84/180326584.db2.gz HTJIJCUPEFGIJT-WBMJQRKESA-N 1 1 278.396 2.781 50 0 CFAAMO OC[C@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000157122617 188298254 /nfs/dbraw/zinc/29/82/54/188298254.db2.gz PGJPLZNBBROMEK-QGZVFWFLSA-N 1 1 285.391 2.609 50 0 CFAAMO C=CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000685940203 540021293 /nfs/dbraw/zinc/02/12/93/540021293.db2.gz XOTLHOLUVAOQIM-WFASDCNBSA-N 1 1 278.783 2.635 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCc1ccc(S(C)(=O)=O)cc1 ZINC000091644108 540397604 /nfs/dbraw/zinc/39/76/04/540397604.db2.gz PGTGAOAQNDOFNR-CQSZACIVSA-N 1 1 281.421 2.507 50 0 CFAAMO Cc1[nH+]cn(Cc2nnc(-c3ccc(F)cc3)o2)c1C ZINC000095405131 540724814 /nfs/dbraw/zinc/72/48/14/540724814.db2.gz RPEJBFXKBFCJGX-UHFFFAOYSA-N 1 1 272.283 2.737 50 0 CFAAMO O=C([C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC000095966906 540725956 /nfs/dbraw/zinc/72/59/56/540725956.db2.gz KQMZGONPICMGPF-HNNXBMFYSA-N 1 1 264.413 2.511 50 0 CFAAMO O[C@@]1(C(F)(F)F)CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000252492477 540748960 /nfs/dbraw/zinc/74/89/60/540748960.db2.gz MNKHCTICXLHAEZ-ZDUSSCGKSA-N 1 1 295.345 2.582 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000179468776 189196198 /nfs/dbraw/zinc/19/61/98/189196198.db2.gz CGQMFUISWZMSLZ-MRXNPFEDSA-N 1 1 270.380 2.732 50 0 CFAAMO COCCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000584908737 540935193 /nfs/dbraw/zinc/93/51/93/540935193.db2.gz CMTBKXMIORAUFR-OAHLLOKOSA-N 1 1 287.407 2.785 50 0 CFAAMO CC(C)c1nc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)co1 ZINC000670462940 541005217 /nfs/dbraw/zinc/00/52/17/541005217.db2.gz BOMDOWREEYCSQA-LBPRGKRZSA-N 1 1 274.368 2.901 50 0 CFAAMO CC(C)c1nc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)co1 ZINC000670462940 541005220 /nfs/dbraw/zinc/00/52/20/541005220.db2.gz BOMDOWREEYCSQA-LBPRGKRZSA-N 1 1 274.368 2.901 50 0 CFAAMO Cc1nc2ccc(C[NH2+][C@@H](C)CN3CCCCC3)cc2[nH]1 ZINC000670468731 541007840 /nfs/dbraw/zinc/00/78/40/541007840.db2.gz IYMSXVNLEGHVPG-ZDUSSCGKSA-N 1 1 286.423 2.835 50 0 CFAAMO Cc1cc(C)n(CC[N@H+](C)Cc2ccc3cc[nH]c3n2)n1 ZINC000670469494 541008205 /nfs/dbraw/zinc/00/82/05/541008205.db2.gz GQGVSKOVAWFOSX-UHFFFAOYSA-N 1 1 283.379 2.508 50 0 CFAAMO CC(C)c1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2(C)C)no1 ZINC000670472814 541011293 /nfs/dbraw/zinc/01/12/93/541011293.db2.gz JCHHELQLELBPSH-ZDUSSCGKSA-N 1 1 279.428 2.960 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000216490738 189704687 /nfs/dbraw/zinc/70/46/87/189704687.db2.gz DMQIRXINCQEWNH-CQSZACIVSA-N 1 1 299.374 2.781 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000216490738 189704688 /nfs/dbraw/zinc/70/46/88/189704688.db2.gz DMQIRXINCQEWNH-CQSZACIVSA-N 1 1 299.374 2.781 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000000209123 371559198 /nfs/dbraw/zinc/55/91/98/371559198.db2.gz LNUXVQUYWFPQMH-NSHDSACASA-N 1 1 284.197 2.653 50 0 CFAAMO C[NH+]1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000000124869 371535224 /nfs/dbraw/zinc/53/52/24/371535224.db2.gz DVQPJJRULICNLY-UHFFFAOYSA-N 1 1 269.348 2.619 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000000239944 371565830 /nfs/dbraw/zinc/56/58/30/371565830.db2.gz ZJMWYJHDDYIQBF-ZDUSSCGKSA-N 1 1 265.328 2.601 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000000240283 371566882 /nfs/dbraw/zinc/56/68/82/371566882.db2.gz YNKOWKCMEDWXBE-OAHLLOKOSA-N 1 1 291.391 2.779 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC000000244349 371567566 /nfs/dbraw/zinc/56/75/66/371567566.db2.gz AQVNRQCOOXEVMG-LLVKDONJSA-N 1 1 266.772 2.554 50 0 CFAAMO COc1cccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000000351488 371592694 /nfs/dbraw/zinc/59/26/94/371592694.db2.gz UGOAGCAVPCSLHF-ZNMIVQPWSA-N 1 1 293.407 2.698 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000001191428 371661865 /nfs/dbraw/zinc/66/18/65/371661865.db2.gz ULKRONYQGUYPJU-HLLBOEOZSA-N 1 1 277.408 2.542 50 0 CFAAMO CN1C[C@H](CC[N@@H+]2CC=C(c3ccccc3)CC2)OC1=O ZINC000002015819 371712236 /nfs/dbraw/zinc/71/22/36/371712236.db2.gz YUORBURTMIUPMW-INIZCTEOSA-N 1 1 286.375 2.616 50 0 in-man CFAAMO S=C(Nc1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000001721977 371703670 /nfs/dbraw/zinc/70/36/70/371703670.db2.gz MVYOIYBAGOCJGJ-AWEZNQCLSA-N 1 1 275.421 2.554 50 0 CFAAMO COc1ccc(C(=O)CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000002891185 371762728 /nfs/dbraw/zinc/76/27/28/371762728.db2.gz FFWKIXLFUJZJIB-ZDUSSCGKSA-N 1 1 261.365 3.000 50 0 CFAAMO CC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000003538690 371805259 /nfs/dbraw/zinc/80/52/59/371805259.db2.gz QBTYIGFWMPHQBG-UHFFFAOYSA-N 1 1 268.307 2.635 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000003564850 371809690 /nfs/dbraw/zinc/80/96/90/371809690.db2.gz NQTWTQXWOBKWGU-ZDUSSCGKSA-N 1 1 272.392 2.846 50 0 CFAAMO CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000004343450 371851354 /nfs/dbraw/zinc/85/13/54/371851354.db2.gz XJCLMIPLNVXPDG-KFWWJZLASA-N 1 1 259.349 2.775 50 0 biogenic,in-vitro CFAAMO CCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000004524500 371862829 /nfs/dbraw/zinc/86/28/29/371862829.db2.gz BZYJTNJQADRYCE-GOEBONIOSA-N 1 1 272.392 2.929 50 0 CFAAMO CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000004865918 371875497 /nfs/dbraw/zinc/87/54/97/371875497.db2.gz IWZDCMFPFXGSJV-UHFFFAOYSA-N 1 1 295.814 2.830 50 0 CFAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2ccccn2)CC1 ZINC000004987834 371877507 /nfs/dbraw/zinc/87/75/07/371877507.db2.gz VRYYCDJJTLHXFS-RMKNXTFCSA-N 1 1 279.387 2.917 50 0 CFAAMO COc1ccc(CC[C@@H](C)[NH2+]CCCN(C)C)cc1 ZINC000012383435 371959247 /nfs/dbraw/zinc/95/92/47/371959247.db2.gz HIRPXTQYHKMJFL-CQSZACIVSA-N 1 1 264.413 2.558 50 0 CFAAMO CCCC[N@@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000012938303 372002222 /nfs/dbraw/zinc/00/22/22/372002222.db2.gz VTBZTETWBHNJOO-LBPRGKRZSA-N 1 1 294.395 2.721 50 0 CFAAMO C[C@H]([NH2+]Cc1ccc(F)cc1)c1nnc2ccccn21 ZINC000012857123 371991349 /nfs/dbraw/zinc/99/13/49/371991349.db2.gz ZRHHRBTUVIDUDX-NSHDSACASA-N 1 1 270.311 2.719 50 0 CFAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(O)CC1 ZINC000012908619 371997863 /nfs/dbraw/zinc/99/78/63/371997863.db2.gz YMTPPKZQEXDXRG-CYBMUJFWSA-N 1 1 298.386 2.624 50 0 CFAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1=CCCC1 ZINC000012192502 371948646 /nfs/dbraw/zinc/94/86/46/371948646.db2.gz JWNSGSMBQWUBKL-GOSISDBHSA-N 1 1 298.430 2.920 50 0 CFAAMO Cc1[nH+]cc(CN2CCO[C@H](CCCC(C)C)C2)n1C ZINC000012317636 371950825 /nfs/dbraw/zinc/95/08/25/371950825.db2.gz YSXSFRYHCNVXSM-MRXNPFEDSA-N 1 1 279.428 2.756 50 0 CFAAMO COc1ccccc1/C=C/C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000013125074 372016819 /nfs/dbraw/zinc/01/68/19/372016819.db2.gz WKQVWNKIOLJFHO-AJKRIUKHSA-N 1 1 261.365 2.818 50 0 CFAAMO S=C1N=NC(C[NH+]2CCCCC2)N1Cc1ccccc1 ZINC000013133533 372017353 /nfs/dbraw/zinc/01/73/53/372017353.db2.gz OKSOWFQPGOPKAK-UHFFFAOYSA-N 1 1 288.420 2.601 50 0 CFAAMO C[C@@H]1CCC[N@H+](Cn2c3ccc(Cl)cc3oc2=O)C1 ZINC000014112445 372060213 /nfs/dbraw/zinc/06/02/13/372060213.db2.gz RUJNZJGVDILDLU-SNVBAGLBSA-N 1 1 280.755 2.937 50 0 CFAAMO C[N@H+]1CCCN(C(=O)c2cccc3ccccc32)CC1 ZINC000013323044 372023150 /nfs/dbraw/zinc/02/31/50/372023150.db2.gz ZASHNSHZYJKPSE-UHFFFAOYSA-N 1 1 268.360 2.618 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cn2c3ccc(Cl)cc3oc2=O)C1 ZINC000014112445 372060222 /nfs/dbraw/zinc/06/02/22/372060222.db2.gz RUJNZJGVDILDLU-SNVBAGLBSA-N 1 1 280.755 2.937 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000013521823 372030452 /nfs/dbraw/zinc/03/04/52/372030452.db2.gz MXPXKANYMKBUKK-JTQLQIEISA-N 1 1 287.388 2.964 50 0 CFAAMO CC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccccc1 ZINC000014020535 372057108 /nfs/dbraw/zinc/05/71/08/372057108.db2.gz XWWYHYYVCQVRRY-CQSZACIVSA-N 1 1 287.363 2.832 50 0 CFAAMO CCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000016606745 372113326 /nfs/dbraw/zinc/11/33/26/372113326.db2.gz HOEGJJPWGASSQV-UHFFFAOYSA-N 1 1 298.789 2.827 50 0 CFAAMO C[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019536397 372174138 /nfs/dbraw/zinc/17/41/38/372174138.db2.gz ZGSVISKQAACDOT-UHFFFAOYSA-N 1 1 272.314 2.843 50 0 CFAAMO CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019536397 372174145 /nfs/dbraw/zinc/17/41/45/372174145.db2.gz ZGSVISKQAACDOT-UHFFFAOYSA-N 1 1 272.314 2.843 50 0 CFAAMO CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019536397 372174148 /nfs/dbraw/zinc/17/41/48/372174148.db2.gz ZGSVISKQAACDOT-UHFFFAOYSA-N 1 1 272.314 2.843 50 0 CFAAMO COc1ccccc1/C=C/C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000019633174 372178126 /nfs/dbraw/zinc/17/81/26/372178126.db2.gz WKQVWNKIOLJFHO-RTIZMKJZSA-N 1 1 261.365 2.818 50 0 CFAAMO C[N@H+](Cc1ccccc1F)C[C@H](O)c1ccccc1 ZINC000019608917 372179100 /nfs/dbraw/zinc/17/91/00/372179100.db2.gz TYUSYUDHDKOXIA-INIZCTEOSA-N 1 1 259.324 2.991 50 0 CFAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000017245385 372131507 /nfs/dbraw/zinc/13/15/07/372131507.db2.gz MMGBWQXPHCBIBW-WMLDXEAASA-N 1 1 289.419 2.647 50 0 CFAAMO O=C(C[NH2+]Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000020056677 372224839 /nfs/dbraw/zinc/22/48/39/372224839.db2.gz JHWZITHTSIBTRR-UHFFFAOYSA-N 1 1 264.712 2.661 50 0 CFAAMO C[C@H]1C[NH+](CCOCCSc2ccccc2)C[C@H](C)O1 ZINC000020639247 372238907 /nfs/dbraw/zinc/23/89/07/372238907.db2.gz PUAYDDVQOHDRIZ-GJZGRUSLSA-N 1 1 295.448 2.905 50 0 CFAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCCC[N@H+]1C ZINC000019782191 372186005 /nfs/dbraw/zinc/18/60/05/372186005.db2.gz QNLZXRSAUUDBRH-ZDUSSCGKSA-N 1 1 290.386 2.618 50 0 CFAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCCC[N@@H+]1C ZINC000019782191 372186009 /nfs/dbraw/zinc/18/60/09/372186009.db2.gz QNLZXRSAUUDBRH-ZDUSSCGKSA-N 1 1 290.386 2.618 50 0 CFAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C[C@@H]1CCCC[N@H+]1C ZINC000019782191 372186012 /nfs/dbraw/zinc/18/60/12/372186012.db2.gz QNLZXRSAUUDBRH-ZDUSSCGKSA-N 1 1 290.386 2.618 50 0 CFAAMO C[NH+]1CCN(CCCc2c3c(cc4c2CCC4)CCC3)CC1 ZINC000019802258 372190153 /nfs/dbraw/zinc/19/01/53/372190153.db2.gz UJBPEWZROYJELR-UHFFFAOYSA-N 1 1 298.474 2.844 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1 ZINC000025076112 372289123 /nfs/dbraw/zinc/28/91/23/372289123.db2.gz GAPUVRGWPSWGOP-OAHLLOKOSA-N 1 1 289.423 2.750 50 0 CFAAMO C[NH+]1CCN(Cc2cccc(C(=O)C3CCCC3)c2)CC1 ZINC000022028101 372243501 /nfs/dbraw/zinc/24/35/01/372243501.db2.gz VZIMAUCGJLELLV-UHFFFAOYSA-N 1 1 286.419 2.807 50 0 CFAAMO CCOC(=O)[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000023281419 372255720 /nfs/dbraw/zinc/25/57/20/372255720.db2.gz PGDIEUCBOMCKAS-CQSZACIVSA-N 1 1 253.386 2.984 50 0 CFAAMO C[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000023749981 372266045 /nfs/dbraw/zinc/26/60/45/372266045.db2.gz ZXVTZKXLPAXSNB-SNVBAGLBSA-N 1 1 291.782 2.808 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000023749981 372266049 /nfs/dbraw/zinc/26/60/49/372266049.db2.gz ZXVTZKXLPAXSNB-SNVBAGLBSA-N 1 1 291.782 2.808 50 0 CFAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000023992003 372269309 /nfs/dbraw/zinc/26/93/09/372269309.db2.gz QCYWRFMGKGGNFM-CYBMUJFWSA-N 1 1 278.400 2.523 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1nccs1 ZINC000024686797 372279145 /nfs/dbraw/zinc/27/91/45/372279145.db2.gz RIMJBTWQOJORLW-LLVKDONJSA-N 1 1 275.377 2.775 50 0 CFAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000024686797 372279148 /nfs/dbraw/zinc/27/91/48/372279148.db2.gz RIMJBTWQOJORLW-LLVKDONJSA-N 1 1 275.377 2.775 50 0 CFAAMO NC(=O)[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000026157508 372314367 /nfs/dbraw/zinc/31/43/67/372314367.db2.gz LKCPFCQUQBUQFB-AWEZNQCLSA-N 1 1 274.751 2.656 50 0 CFAAMO CC(C)C[C@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000027138222 372335632 /nfs/dbraw/zinc/33/56/32/372335632.db2.gz BDNFHYBBGKTRGF-LBPRGKRZSA-N 1 1 273.380 2.790 50 0 CFAAMO Cc1ccccc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000027349068 372339512 /nfs/dbraw/zinc/33/95/12/372339512.db2.gz BRFWRDBIGNIHSS-UHFFFAOYSA-N 1 1 268.360 2.726 50 0 CFAAMO Cc1cccc(OCC[N@H+](C)Cc2ccc(C(N)=O)cc2)c1 ZINC000027374233 372341479 /nfs/dbraw/zinc/34/14/79/372341479.db2.gz OGYPVGGQGOBUCX-UHFFFAOYSA-N 1 1 298.386 2.605 50 0 CFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC=CCC1 ZINC000030318392 372392112 /nfs/dbraw/zinc/39/21/12/372392112.db2.gz OEPOKWPVJDSEQN-MRXNPFEDSA-N 1 1 284.403 2.517 50 0 CFAAMO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000031655305 372414376 /nfs/dbraw/zinc/41/43/76/372414376.db2.gz JMVZZUWRVBTJPJ-UHFFFAOYSA-N 1 1 256.708 2.512 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000031655305 372414379 /nfs/dbraw/zinc/41/43/79/372414379.db2.gz JMVZZUWRVBTJPJ-UHFFFAOYSA-N 1 1 256.708 2.512 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2C)CC[N@@H+](C)[C@@H]1C ZINC000033865026 372502859 /nfs/dbraw/zinc/50/28/59/372502859.db2.gz AVJHHMSHPYWQSR-CJNGLKHVSA-N 1 1 261.365 2.868 50 0 CFAAMO Cc1ccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C)o1 ZINC000036097724 372558593 /nfs/dbraw/zinc/55/85/93/372558593.db2.gz MRJYILJYQBNSMW-CQSZACIVSA-N 1 1 283.412 2.974 50 0 CFAAMO O=C(c1ccccc1)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000036125725 372561032 /nfs/dbraw/zinc/56/10/32/372561032.db2.gz ZLMWQIDIMVCJCV-SFHVURJKSA-N 1 1 292.382 2.742 50 0 CFAAMO O=C(c1ccccc1)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000036125725 372561037 /nfs/dbraw/zinc/56/10/37/372561037.db2.gz ZLMWQIDIMVCJCV-SFHVURJKSA-N 1 1 292.382 2.742 50 0 CFAAMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1F ZINC000036907737 372609970 /nfs/dbraw/zinc/60/99/70/372609970.db2.gz WFPZAPNLWPQIOM-XJKCOSOUSA-N 1 1 264.388 2.687 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000037117542 372650491 /nfs/dbraw/zinc/65/04/91/372650491.db2.gz LMCBERFVXDYWMK-UHFFFAOYSA-N 1 1 274.320 2.652 50 0 CFAAMO Cc1noc(C)c1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000037117542 372650498 /nfs/dbraw/zinc/65/04/98/372650498.db2.gz LMCBERFVXDYWMK-UHFFFAOYSA-N 1 1 274.320 2.652 50 0 CFAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1F)C(=O)NC(C)(C)C ZINC000042302846 372904296 /nfs/dbraw/zinc/90/42/96/372904296.db2.gz FSFZGMQSBSHPIZ-GHMZBOCLSA-N 1 1 266.360 2.780 50 0 CFAAMO COc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000042969102 372968091 /nfs/dbraw/zinc/96/80/91/372968091.db2.gz OZBWKDNYLWENKI-HOCLYGCPSA-N 1 1 277.408 2.721 50 0 CFAAMO O=Cc1ccc(F)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000043199374 372981591 /nfs/dbraw/zinc/98/15/91/372981591.db2.gz APYICXAHLYXWOC-UHFFFAOYSA-N 1 1 298.361 2.960 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000046995124 373074205 /nfs/dbraw/zinc/07/42/05/373074205.db2.gz OORUSLNETMVRCS-ZIAGYGMSSA-N 1 1 278.783 2.697 50 0 CFAAMO C[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000047406576 373091528 /nfs/dbraw/zinc/09/15/28/373091528.db2.gz JJCRAVWAOWMXBU-CYBMUJFWSA-N 1 1 271.364 2.892 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000047406576 373091532 /nfs/dbraw/zinc/09/15/32/373091532.db2.gz JJCRAVWAOWMXBU-CYBMUJFWSA-N 1 1 271.364 2.892 50 0 CFAAMO Cc1ccc2nc(C)c(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2c1 ZINC000048324867 373163042 /nfs/dbraw/zinc/16/30/42/373163042.db2.gz ZAMIVMHCSKYDOH-OAHLLOKOSA-N 1 1 297.402 2.676 50 0 CFAAMO CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048345001 373167342 /nfs/dbraw/zinc/16/73/42/373167342.db2.gz FKBIFNWFIJVMKG-OKILXGFUSA-N 1 1 274.408 2.801 50 0 CFAAMO CCC[N@@H+](CC(N)=O)[C@@H](C)c1cc2ccccc2o1 ZINC000049333510 373287933 /nfs/dbraw/zinc/28/79/33/373287933.db2.gz SROAXRPWERCEBY-NSHDSACASA-N 1 1 260.337 2.691 50 0 CFAAMO CCC[N@@H+](CC(N)=O)[C@H](C)c1cc2ccccc2o1 ZINC000049333513 373288657 /nfs/dbraw/zinc/28/86/57/373288657.db2.gz SROAXRPWERCEBY-LLVKDONJSA-N 1 1 260.337 2.691 50 0 CFAAMO COCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000051560134 373401496 /nfs/dbraw/zinc/40/14/96/373401496.db2.gz PUNOODDLDKSOHP-AWEZNQCLSA-N 1 1 277.364 2.631 50 0 CFAAMO C[C@H]([NH3+])C(=O)OC(C)(C)Cc1ccc(Cl)cc1 ZINC000052969655 373460620 /nfs/dbraw/zinc/46/06/20/373460620.db2.gz FZSPJBYOKQPKCD-VIFPVBQESA-N 1 1 255.745 2.552 50 0 in-man CFAAMO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000052074515 373435264 /nfs/dbraw/zinc/43/52/64/373435264.db2.gz NKXANMOSDVCCMR-GFCCVEGCSA-N 1 1 274.339 2.717 50 0 CFAAMO COCC[N@H+](C/C=C/c1ccccc1)Cc1cc(C)nn1C ZINC000055060660 373535433 /nfs/dbraw/zinc/53/54/33/373535433.db2.gz OTSWRBSESFXSSY-JXMROGBWSA-N 1 1 299.418 2.890 50 0 CFAAMO COCC[N@@H+](C/C=C/c1ccccc1)Cc1cc(C)nn1C ZINC000055060660 373535443 /nfs/dbraw/zinc/53/54/43/373535443.db2.gz OTSWRBSESFXSSY-JXMROGBWSA-N 1 1 299.418 2.890 50 0 CFAAMO Cc1noc(C)c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000054992866 373532289 /nfs/dbraw/zinc/53/22/89/373532289.db2.gz IFASPWXUVNVHQD-UHFFFAOYSA-N 1 1 299.418 2.999 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000054992866 373532299 /nfs/dbraw/zinc/53/22/99/373532299.db2.gz IFASPWXUVNVHQD-UHFFFAOYSA-N 1 1 299.418 2.999 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000054992866 373532303 /nfs/dbraw/zinc/53/23/03/373532303.db2.gz IFASPWXUVNVHQD-UHFFFAOYSA-N 1 1 299.418 2.999 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c2ccccc12 ZINC000057159575 373581292 /nfs/dbraw/zinc/58/12/92/373581292.db2.gz ZSZQWRLYJPBRTM-OAHLLOKOSA-N 1 1 299.418 2.701 50 0 CFAAMO CCn1nc(C[NH2+]Cc2ccncc2)c(-c2ccccc2)n1 ZINC000057353242 373590451 /nfs/dbraw/zinc/59/04/51/373590451.db2.gz WIJSVWWNURNVBW-UHFFFAOYSA-N 1 1 293.374 2.650 50 0 CFAAMO C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000057503260 373596143 /nfs/dbraw/zinc/59/61/43/373596143.db2.gz MHMVGYMCWQSOIW-NSHDSACASA-N 1 1 291.782 2.722 50 0 CFAAMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058434636 373659094 /nfs/dbraw/zinc/65/90/94/373659094.db2.gz BODCOICDKBLBEK-MRXNPFEDSA-N 1 1 284.359 2.560 50 0 CFAAMO CCN(C(C)=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058311724 373644624 /nfs/dbraw/zinc/64/46/24/373644624.db2.gz AQJCTIIATUSJFQ-XJKSGUPXSA-N 1 1 260.381 2.690 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1F ZINC000058407640 373654814 /nfs/dbraw/zinc/65/48/14/373654814.db2.gz GOLXCJWDFGNSQU-MFKMUULPSA-N 1 1 287.338 2.592 50 0 CFAAMO c1ccc(C[NH+]2CCC(NCc3ccncc3)CC2)cc1 ZINC000057755516 373610541 /nfs/dbraw/zinc/61/05/41/373610541.db2.gz PSWYABGKEQRYQM-UHFFFAOYSA-N 1 1 281.403 2.836 50 0 CFAAMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000059188483 373678111 /nfs/dbraw/zinc/67/81/11/373678111.db2.gz GGLAUQAPUFHLLC-OAHLLOKOSA-N 1 1 295.448 2.889 50 0 CFAAMO Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@H+](C)C1CC1 ZINC000061430340 373718531 /nfs/dbraw/zinc/71/85/31/373718531.db2.gz JKYSENTVLRIELJ-UHFFFAOYSA-N 1 1 295.452 2.573 50 0 CFAAMO Fc1cccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1F ZINC000060363248 373692733 /nfs/dbraw/zinc/69/27/33/373692733.db2.gz CCWFZBXQTGOWRN-LBPRGKRZSA-N 1 1 283.318 2.550 50 0 CFAAMO CC1CCC([N@@H+](C)CC(=O)NC2CCCC2)CC1 ZINC000060942424 373708610 /nfs/dbraw/zinc/70/86/10/373708610.db2.gz AFCNUBBZQGAMCO-UHFFFAOYSA-N 1 1 252.402 2.556 50 0 CFAAMO Cc1[nH+]ccn1Cc1noc(-c2ccccc2C)n1 ZINC000064551245 373829072 /nfs/dbraw/zinc/82/90/72/373829072.db2.gz HNNIQJYFOFUYPR-UHFFFAOYSA-N 1 1 254.293 2.598 50 0 CFAAMO C[N@H+](Cc1cccn1-c1nccs1)C[C@H]1CCCCO1 ZINC000065496214 373879283 /nfs/dbraw/zinc/87/92/83/373879283.db2.gz KRNYZATUBJQHKX-CQSZACIVSA-N 1 1 291.420 2.935 50 0 CFAAMO CC[C@@H](C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000065517416 373882093 /nfs/dbraw/zinc/88/20/93/373882093.db2.gz OWOJGFNOMYYRSV-CYBMUJFWSA-N 1 1 262.397 2.801 50 0 CFAAMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccnc1 ZINC000065552864 373886693 /nfs/dbraw/zinc/88/66/93/373886693.db2.gz QVPIHOSIKRWBLH-HNNXBMFYSA-N 1 1 290.411 2.858 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccoc2)cc1 ZINC000065201745 373848060 /nfs/dbraw/zinc/84/80/60/373848060.db2.gz MCLAFSPRYYFRDG-UHFFFAOYSA-N 1 1 281.315 2.704 50 0 CFAAMO Cc1[nH+]cn(-c2ccc(CNC(=O)C(C)C)cc2)c1C ZINC000065201841 373849091 /nfs/dbraw/zinc/84/90/91/373849091.db2.gz MVJJYANKQOVQGW-UHFFFAOYSA-N 1 1 271.364 2.761 50 0 CFAAMO COC[C@H](c1ccccn1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000065374799 373859631 /nfs/dbraw/zinc/85/96/31/373859631.db2.gz IKUCWFQWVGCNNZ-QGZVFWFLSA-N 1 1 298.386 2.836 50 0 CFAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000065374799 373859635 /nfs/dbraw/zinc/85/96/35/373859635.db2.gz IKUCWFQWVGCNNZ-QGZVFWFLSA-N 1 1 298.386 2.836 50 0 CFAAMO FCCC[N@@H+]1CC=C(c2cnn(-c3ccccn3)c2)CC1 ZINC000065375784 373862263 /nfs/dbraw/zinc/86/22/63/373862263.db2.gz BIAJNXUAWYQVJF-UHFFFAOYSA-N 1 1 286.354 2.716 50 0 CFAAMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000065395416 373863856 /nfs/dbraw/zinc/86/38/56/373863856.db2.gz SIZUKBPZUGRNPC-AWEZNQCLSA-N 1 1 298.386 2.916 50 0 CFAAMO CC(=O)Nc1ccc(CN2CC[N@H+](C(C)C)[C@H](C)C2)cc1 ZINC000065419477 373868852 /nfs/dbraw/zinc/86/88/52/373868852.db2.gz BBWGUIMMFKDRME-CQSZACIVSA-N 1 1 289.423 2.560 50 0 CFAAMO COc1ccc(OC)c([C@@H]2CC[N@H+](C3CCOCC3)C2)c1 ZINC000065457484 373873338 /nfs/dbraw/zinc/87/33/38/373873338.db2.gz NIPCJJQCNQRGOI-CYBMUJFWSA-N 1 1 291.391 2.672 50 0 CFAAMO C[NH+]1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000066202391 373918715 /nfs/dbraw/zinc/91/87/15/373918715.db2.gz XNLRXIDQYSGBIO-UHFFFAOYSA-N 1 1 295.386 2.818 50 0 CFAAMO CC(C)(C)OC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000066339734 373926175 /nfs/dbraw/zinc/92/61/75/373926175.db2.gz FRCCDRQRHLFSHZ-UHFFFAOYSA-N 1 1 288.391 2.739 50 0 CFAAMO OCC[N@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067743436 373999389 /nfs/dbraw/zinc/99/93/89/373999389.db2.gz ONXUZLDUIHTNPA-UHFFFAOYSA-N 1 1 293.370 2.580 50 0 CFAAMO C[N@H+]1CCC[C@H](CNC(=O)CCCc2cccs2)C1 ZINC000067773633 374001908 /nfs/dbraw/zinc/00/19/08/374001908.db2.gz GIODROPYOVDZAT-CYBMUJFWSA-N 1 1 280.437 2.529 50 0 CFAAMO CCCc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000067790056 374001934 /nfs/dbraw/zinc/00/19/34/374001934.db2.gz UCMPFPDNTBGITH-KRWDZBQOSA-N 1 1 299.418 2.991 50 0 CFAAMO CCCc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000067790056 374001942 /nfs/dbraw/zinc/00/19/42/374001942.db2.gz UCMPFPDNTBGITH-KRWDZBQOSA-N 1 1 299.418 2.991 50 0 CFAAMO Cc1cccc(-n2cnnc2C[NH+]2CCCCC2)c1 ZINC000067787536 374002421 /nfs/dbraw/zinc/00/24/21/374002421.db2.gz ALWYNSUYTOCYJW-UHFFFAOYSA-N 1 1 256.353 2.562 50 0 CFAAMO Cc1nc[nH]c1C[N@H+]1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 ZINC000067819865 374006385 /nfs/dbraw/zinc/00/63/85/374006385.db2.gz QYYUFFYCXSWNIX-FUHWJXTLSA-N 1 1 299.418 2.534 50 0 CFAAMO CC(C)c1csc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000067850396 374009094 /nfs/dbraw/zinc/00/90/94/374009094.db2.gz QQRROMFPNQICNX-LBPRGKRZSA-N 1 1 295.452 2.728 50 0 CFAAMO CC(C)C[NH+]1CCC(NC[C@@H](C)Oc2cccnc2)CC1 ZINC000067975269 374017163 /nfs/dbraw/zinc/01/71/63/374017163.db2.gz UTMDCNHXFCRCAK-OAHLLOKOSA-N 1 1 291.439 2.559 50 0 CFAAMO CCC[N@@H+](C[C@H](O)COCc1cccs1)CC1CC1 ZINC000068045763 374020627 /nfs/dbraw/zinc/02/06/27/374020627.db2.gz CUHPWKOJKQRNHX-AWEZNQCLSA-N 1 1 283.437 2.748 50 0 CFAAMO FC(F)(F)CC[N@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000067649859 373987307 /nfs/dbraw/zinc/98/73/07/373987307.db2.gz KYFZXHCXGSZBBK-LLVKDONJSA-N 1 1 261.291 2.548 50 0 CFAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC000067674456 373989556 /nfs/dbraw/zinc/98/95/56/373989556.db2.gz GVYMHGNMQFPTSQ-CYBMUJFWSA-N 1 1 293.411 2.506 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2C[C@H](O)c2ccccc2)c1 ZINC000069663380 374083542 /nfs/dbraw/zinc/08/35/42/374083542.db2.gz GSGHZOICZLKUNR-ROUUACIJSA-N 1 1 299.418 2.780 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069571155 374074907 /nfs/dbraw/zinc/07/49/07/374074907.db2.gz SBPSTKIOKIZLLH-IRXDYDNUSA-N 1 1 297.402 2.867 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000070010999 374115195 /nfs/dbraw/zinc/11/51/95/374115195.db2.gz IZRUSOBGAIFWDV-JKSUJKDBSA-N 1 1 264.413 2.652 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069709487 374089050 /nfs/dbraw/zinc/08/90/50/374089050.db2.gz WSMPWDFCLKOMTB-QWRGUYRKSA-N 1 1 282.771 2.632 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000069742467 374093543 /nfs/dbraw/zinc/09/35/43/374093543.db2.gz JEBAJKCGJLBGLD-GOSISDBHSA-N 1 1 298.434 2.992 50 0 CFAAMO CC(C)CCc1noc(C[NH2+][C@H](C)[C@H](C)n2cccn2)n1 ZINC000069779494 374095933 /nfs/dbraw/zinc/09/59/33/374095933.db2.gz IJONRLAGXQETTO-OLZOCXBDSA-N 1 1 291.399 2.594 50 0 CFAAMO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)ccc1F ZINC000069810856 374100741 /nfs/dbraw/zinc/10/07/41/374100741.db2.gz XHIOEHOJOFSENV-HZPDHXFCSA-N 1 1 290.382 2.833 50 0 CFAAMO C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCOCO1 ZINC000069847422 374104092 /nfs/dbraw/zinc/10/40/92/374104092.db2.gz AJKISJYRIIHLHJ-VIFPVBQESA-N 1 1 261.774 2.596 50 0 CFAAMO CC[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CCOC ZINC000069844779 374104252 /nfs/dbraw/zinc/10/42/52/374104252.db2.gz NGAMXVKBFHKAJE-GOSISDBHSA-N 1 1 290.451 2.662 50 0 CFAAMO CC[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1CCOC ZINC000069844779 374104256 /nfs/dbraw/zinc/10/42/56/374104256.db2.gz NGAMXVKBFHKAJE-GOSISDBHSA-N 1 1 290.451 2.662 50 0 CFAAMO CC[C@@H]1CN(CCCc2ccccc2)CC[N@H+]1CCOC ZINC000069844779 374104258 /nfs/dbraw/zinc/10/42/58/374104258.db2.gz NGAMXVKBFHKAJE-GOSISDBHSA-N 1 1 290.451 2.662 50 0 CFAAMO c1cnn(C[C@@H]2CCC[N@@H+]2CCc2cccs2)c1 ZINC000069878412 374107825 /nfs/dbraw/zinc/10/78/25/374107825.db2.gz BXIXGWRGPWAQOT-ZDUSSCGKSA-N 1 1 261.394 2.652 50 0 CFAAMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCCCOC)C1 ZINC000069920563 374108815 /nfs/dbraw/zinc/10/88/15/374108815.db2.gz ISOYCHFYZSCXPK-HOTGVXAUSA-N 1 1 298.471 2.820 50 0 CFAAMO CCO[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000071915709 374232092 /nfs/dbraw/zinc/23/20/92/374232092.db2.gz OANBSOKSFGKUKX-OAHLLOKOSA-N 1 1 286.375 2.529 50 0 CFAAMO CC[N@H+]1CCC[C@@H](c2nccn2-c2ccc3c[nH]nc3c2)C1 ZINC000071762340 374221175 /nfs/dbraw/zinc/22/11/75/374221175.db2.gz ZJFOTERVNAXQGN-CQSZACIVSA-N 1 1 295.390 2.948 50 0 CFAAMO CC[C@@](OC(C)=O)(c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000071772243 374223632 /nfs/dbraw/zinc/22/36/32/374223632.db2.gz JGSQNSNIRULOTK-HZPDHXFCSA-N 1 1 261.365 2.807 50 0 CFAAMO C1=CC[C@H](C[N@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC000072428107 374251253 /nfs/dbraw/zinc/25/12/53/374251253.db2.gz GGTOXXREXJINNM-KRWDZBQOSA-N 1 1 285.435 2.946 50 0 CFAAMO c1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)on1 ZINC000072716240 374280603 /nfs/dbraw/zinc/28/06/03/374280603.db2.gz FBYQYALWTWCLSN-ZDUSSCGKSA-N 1 1 250.342 2.598 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2cnc(C)cn2)n1 ZINC000072253293 374237648 /nfs/dbraw/zinc/23/76/48/374237648.db2.gz YIUSGYYVCJDQDY-QGZVFWFLSA-N 1 1 299.422 2.653 50 0 CFAAMO CC[N@H+](Cc1cccnc1)C[C@@H](O)c1ccc(C)cc1 ZINC000076015782 374520366 /nfs/dbraw/zinc/52/03/66/374520366.db2.gz KJKONMDQDZUKQY-QGZVFWFLSA-N 1 1 270.376 2.946 50 0 CFAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccco2)C1 ZINC000076068834 374528926 /nfs/dbraw/zinc/52/89/26/374528926.db2.gz DSYZUKPBTYFZLS-GXTWGEPZSA-N 1 1 296.436 2.502 50 0 CFAAMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCn2cncn2)o1 ZINC000076145200 374535322 /nfs/dbraw/zinc/53/53/22/374535322.db2.gz ZZMOXGTWEAPLSJ-HIFRSBDPSA-N 1 1 288.395 2.907 50 0 CFAAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000076146646 374538390 /nfs/dbraw/zinc/53/83/90/374538390.db2.gz XKCGMGUBELMIQY-RYUDHWBXSA-N 1 1 297.424 2.528 50 0 CFAAMO CCc1cnc(CN(C)[C@H]2CC[N@@H+](CC3CCC3)C2)o1 ZINC000078892019 374572565 /nfs/dbraw/zinc/57/25/65/374572565.db2.gz KZWVKONKSLDTLF-AWEZNQCLSA-N 1 1 277.412 2.543 50 0 CFAAMO CC(C)[C@@H]([NH2+]Cc1cccc(O)c1)c1nnc2ccccn21 ZINC000078978646 374578911 /nfs/dbraw/zinc/57/89/11/374578911.db2.gz CXSQVHQKYLRIQO-MRXNPFEDSA-N 1 1 296.374 2.922 50 0 CFAAMO Cc1n[nH]cc1CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000078552986 374568717 /nfs/dbraw/zinc/56/87/17/374568717.db2.gz UMFCHFGVXDEKTJ-YOEHRIQHSA-N 1 1 284.407 2.643 50 0 CFAAMO Cc1n[nH]cc1CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000078552986 374568724 /nfs/dbraw/zinc/56/87/24/374568724.db2.gz UMFCHFGVXDEKTJ-YOEHRIQHSA-N 1 1 284.407 2.643 50 0 CFAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(OC)cc1C ZINC000079028771 374584722 /nfs/dbraw/zinc/58/47/22/374584722.db2.gz PLJOZRSTNRVQAX-ZDUSSCGKSA-N 1 1 293.411 2.855 50 0 CFAAMO CN(C)[C@H]1CCCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000082108598 374726148 /nfs/dbraw/zinc/72/61/48/374726148.db2.gz MUPGLSYMBLNGOL-SFHVURJKSA-N 1 1 298.434 2.788 50 0 CFAAMO CN(C)[C@H]1CCCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000082108598 374726153 /nfs/dbraw/zinc/72/61/53/374726153.db2.gz MUPGLSYMBLNGOL-SFHVURJKSA-N 1 1 298.434 2.788 50 0 CFAAMO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)s1 ZINC000089656558 374934841 /nfs/dbraw/zinc/93/48/41/374934841.db2.gz XIBQEGALCXICLF-VIFPVBQESA-N 1 1 294.342 2.555 50 0 CFAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)s1 ZINC000089656558 374934845 /nfs/dbraw/zinc/93/48/45/374934845.db2.gz XIBQEGALCXICLF-VIFPVBQESA-N 1 1 294.342 2.555 50 0 CFAAMO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000089689315 374938833 /nfs/dbraw/zinc/93/88/33/374938833.db2.gz QGBWPOXQNBJZAK-JKSUJKDBSA-N 1 1 272.436 3.000 50 0 CFAAMO Cc1cccc2nc(C[N@H+](C)[C@H]3CCSC3)cn21 ZINC000089936544 374970006 /nfs/dbraw/zinc/97/00/06/374970006.db2.gz AYGUSWBJPQWXDL-ZDUSSCGKSA-N 1 1 261.394 2.580 50 0 CFAAMO C(C1CC1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000089819272 374957830 /nfs/dbraw/zinc/95/78/30/374957830.db2.gz ZCYQXAKHDBGLRJ-AWEZNQCLSA-N 1 1 274.412 2.594 50 0 CFAAMO CS(=O)(=O)CC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010646 374987003 /nfs/dbraw/zinc/98/70/03/374987003.db2.gz VDAOQEKEGSIWKW-MRXNPFEDSA-N 1 1 295.448 2.518 50 0 CFAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000092660926 375137010 /nfs/dbraw/zinc/13/70/10/375137010.db2.gz JQAKBPLXMVXSCS-HNNXBMFYSA-N 1 1 271.364 2.625 50 0 CFAAMO C[C@@H]1C[NH+](Cc2ccc([S@](C)=O)cc2)C[C@@H](C)S1 ZINC000092541293 375121711 /nfs/dbraw/zinc/12/17/11/375121711.db2.gz UOWZZLSSSRINAO-SEDUGSJDSA-N 1 1 283.462 2.750 50 0 CFAAMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322565 375209665 /nfs/dbraw/zinc/20/96/65/375209665.db2.gz XZSCDPMBMFSXDX-CABCVRRESA-N 1 1 279.428 2.764 50 0 CFAAMO CC(C)[N@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1C[C@@H]1C ZINC000093661803 375291177 /nfs/dbraw/zinc/29/11/77/375291177.db2.gz XSTWVHVXNNCXSE-QWRGUYRKSA-N 1 1 266.410 2.713 50 0 CFAAMO CCn1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2SC)cn1 ZINC000093869488 375326185 /nfs/dbraw/zinc/32/61/85/375326185.db2.gz OBZYOCOVFBWAQX-STQMWFEESA-N 1 1 253.415 2.619 50 0 CFAAMO C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CCOC1 ZINC000093839899 375319442 /nfs/dbraw/zinc/31/94/42/375319442.db2.gz XQLWIGUHQOZIGO-AWEZNQCLSA-N 1 1 275.392 2.868 50 0 CFAAMO CSC[C@@H](C)[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000093558131 375265993 /nfs/dbraw/zinc/26/59/93/375265993.db2.gz LVTZPYHXQXDJHP-LLVKDONJSA-N 1 1 266.410 2.828 50 0 CFAAMO CC(C)C[NH+]1CCC(N[C@H](C)c2cccc(CO)c2)CC1 ZINC000095988799 375467202 /nfs/dbraw/zinc/46/72/02/375467202.db2.gz JXSHDVAQRAFKTB-OAHLLOKOSA-N 1 1 290.451 2.950 50 0 CFAAMO Cc1nc(C)c(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000095362387 375421540 /nfs/dbraw/zinc/42/15/40/375421540.db2.gz BNJFJOOFCCGLES-CYBMUJFWSA-N 1 1 295.452 2.641 50 0 CFAAMO Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000095367002 375421555 /nfs/dbraw/zinc/42/15/55/375421555.db2.gz GGBPPQBFTWLONI-CYBMUJFWSA-N 1 1 288.420 2.923 50 0 CFAAMO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095374112 375423620 /nfs/dbraw/zinc/42/36/20/375423620.db2.gz AAADDTUHLKYSNB-SJLPKXTDSA-N 1 1 298.430 2.910 50 0 CFAAMO C[N@@H+](CCCO)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000095395802 375430302 /nfs/dbraw/zinc/43/03/02/375430302.db2.gz SZCKGDYJBIZFSG-INIZCTEOSA-N 1 1 274.339 2.624 50 0 CFAAMO CNC(=O)c1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000095407842 375434339 /nfs/dbraw/zinc/43/43/39/375434339.db2.gz UUWFFQABJGANQT-UHFFFAOYSA-N 1 1 275.739 2.707 50 0 CFAAMO CCc1ncc(C[NH2+][C@H](CO)c2ccccc2F)s1 ZINC000095409422 375434409 /nfs/dbraw/zinc/43/44/09/375434409.db2.gz WVUAERFRLSQOBH-CYBMUJFWSA-N 1 1 280.368 2.668 50 0 CFAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccn(C)n1 ZINC000095451568 375455319 /nfs/dbraw/zinc/45/53/19/375455319.db2.gz HUHXIBOZASTYBD-INIZCTEOSA-N 1 1 285.391 2.636 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCCc2ccccc21 ZINC000097159473 375534325 /nfs/dbraw/zinc/53/43/25/375534325.db2.gz NKEKLYCPPJBSMA-CQSZACIVSA-N 1 1 255.365 2.928 50 0 CFAAMO CCn1cc(C2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000097203569 375538778 /nfs/dbraw/zinc/53/87/78/375538778.db2.gz JLOJAVMEBVJAPC-UHFFFAOYSA-N 1 1 288.395 2.887 50 0 CFAAMO COC(=O)C[C@@H](c1c2[nH]s[nH+]c-2ccc1=O)C(C)C ZINC000096230761 375479574 /nfs/dbraw/zinc/47/95/74/375479574.db2.gz FKQZLXOIHLYPHC-MRVPVSSYSA-N 1 1 280.349 2.700 50 0 CFAAMO CC(C)(C)OCC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000096492535 375489454 /nfs/dbraw/zinc/48/94/54/375489454.db2.gz WTVYWGGBSQXPRD-UHFFFAOYSA-N 1 1 296.377 2.760 50 0 CFAAMO CC(C)(C)OCC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000096492535 375489461 /nfs/dbraw/zinc/48/94/61/375489461.db2.gz WTVYWGGBSQXPRD-UHFFFAOYSA-N 1 1 296.377 2.760 50 0 CFAAMO CC(=O)c1ccccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000097236212 375543240 /nfs/dbraw/zinc/54/32/40/375543240.db2.gz XPOHBFIKBVQYLK-UHFFFAOYSA-N 1 1 285.347 2.848 50 0 CFAAMO c1[nH+]cn2c1C[C@@H](c1nc(CCc3ccccc3)no1)CC2 ZINC000097085370 375511655 /nfs/dbraw/zinc/51/16/55/375511655.db2.gz UMZFRPCVJZPHOJ-AWEZNQCLSA-N 1 1 294.358 2.781 50 0 CFAAMO COc1ccnc(C[N@H+](Cc2cccnc2)C(C)C)c1 ZINC000097086154 375513745 /nfs/dbraw/zinc/51/37/45/375513745.db2.gz UJXIQQIHFMDKFP-UHFFFAOYSA-N 1 1 271.364 2.896 50 0 CFAAMO COc1ccnc(C[N@@H+](Cc2cccnc2)C(C)C)c1 ZINC000097086154 375513751 /nfs/dbraw/zinc/51/37/51/375513751.db2.gz UJXIQQIHFMDKFP-UHFFFAOYSA-N 1 1 271.364 2.896 50 0 CFAAMO Cc1cccc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)[nH+]1 ZINC000097096700 375516590 /nfs/dbraw/zinc/51/65/90/375516590.db2.gz SAHLEZIJYZRYLJ-CQSZACIVSA-N 1 1 289.423 2.769 50 0 CFAAMO O[C@@H](C[N@H+]1CCC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000097141576 375528500 /nfs/dbraw/zinc/52/85/00/375528500.db2.gz IDVFDBRLLWXNQP-RYUDHWBXSA-N 1 1 277.261 2.886 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc3nonc32)no1 ZINC000097823264 375585613 /nfs/dbraw/zinc/58/56/13/375585613.db2.gz YTSAHRFSORADGH-AWEZNQCLSA-N 1 1 284.319 2.856 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc3nonc32)no1 ZINC000097823264 375585619 /nfs/dbraw/zinc/58/56/19/375585619.db2.gz YTSAHRFSORADGH-AWEZNQCLSA-N 1 1 284.319 2.856 50 0 CFAAMO c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)nc2c1 ZINC000097301412 375548358 /nfs/dbraw/zinc/54/83/58/375548358.db2.gz OIAPIOAUWRSFME-CYBMUJFWSA-N 1 1 293.374 2.733 50 0 CFAAMO c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4ccncn4)C3)nc2c1 ZINC000097301412 375548361 /nfs/dbraw/zinc/54/83/61/375548361.db2.gz OIAPIOAUWRSFME-CYBMUJFWSA-N 1 1 293.374 2.733 50 0 CFAAMO CCn1cc(C[N@@H+](CC)CCc2nc3ccccc3[nH]2)cn1 ZINC000097436870 375560488 /nfs/dbraw/zinc/56/04/88/375560488.db2.gz JHZNZIJFBLRDTC-UHFFFAOYSA-N 1 1 297.406 2.844 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102530805 375678442 /nfs/dbraw/zinc/67/84/42/375678442.db2.gz ZTFTWPABVCSKJG-HZSPNIEDSA-N 1 1 260.381 2.992 50 0 CFAAMO Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000136832002 378210809 /nfs/dbraw/zinc/21/08/09/378210809.db2.gz RXNWDGOQBSECFP-OLZOCXBDSA-N 1 1 251.345 2.727 50 0 CFAAMO O[C@@H](CN1CCC[N@H+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715595 378250512 /nfs/dbraw/zinc/25/05/12/378250512.db2.gz OUQCGNWQPNRZLX-INIZCTEOSA-N 1 1 294.826 2.544 50 0 CFAAMO O[C@@H](C[N@@H+]1CCCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715595 378250516 /nfs/dbraw/zinc/25/05/16/378250516.db2.gz OUQCGNWQPNRZLX-INIZCTEOSA-N 1 1 294.826 2.544 50 0 CFAAMO FC1(F)CCN(c2cc[nH+]cc2Br)C1 ZINC000169725517 379108954 /nfs/dbraw/zinc/10/89/54/379108954.db2.gz GKFHFZPRXCUHPX-UHFFFAOYSA-N 1 1 263.085 2.690 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1cnn(C(C)(C)C)c1 ZINC000170594888 379121647 /nfs/dbraw/zinc/12/16/47/379121647.db2.gz ZNPQBFDLLNMJDI-UHFFFAOYSA-N 1 1 272.396 2.708 50 0 CFAAMO CC(C)N(C)c1ccc(C[N@H+](C)Cc2cccnc2)cn1 ZINC000170611887 379128715 /nfs/dbraw/zinc/12/87/15/379128715.db2.gz BEJGKIQFJFOGJG-UHFFFAOYSA-N 1 1 284.407 2.953 50 0 CFAAMO CC(C)N(C)c1ccc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC000170611887 379128720 /nfs/dbraw/zinc/12/87/20/379128720.db2.gz BEJGKIQFJFOGJG-UHFFFAOYSA-N 1 1 284.407 2.953 50 0 CFAAMO COC(=O)CCC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175142224 380005130 /nfs/dbraw/zinc/00/51/30/380005130.db2.gz IYCPLUHDUOSDNQ-AWEZNQCLSA-N 1 1 264.369 2.505 50 0 CFAAMO CC(C)(C)C(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000049706889 412951205 /nfs/dbraw/zinc/95/12/05/412951205.db2.gz BGWJJKHWHINYSK-UHFFFAOYSA-N 1 1 299.418 2.858 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000293006657 381947483 /nfs/dbraw/zinc/94/74/83/381947483.db2.gz DHWQJJRSWYDYQB-LBPRGKRZSA-N 1 1 257.736 2.826 50 0 CFAAMO CCN(CC(F)(F)F)C(=O)C[C@@H](C)n1cc[nH+]c1C ZINC000299757420 382041187 /nfs/dbraw/zinc/04/11/87/382041187.db2.gz HDRLHJRJNICHSN-SECBINFHSA-N 1 1 277.290 2.553 50 0 CFAAMO Cc1ccccc1CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000299757656 382042379 /nfs/dbraw/zinc/04/23/79/382042379.db2.gz LXRQTIANLBYIMC-INIZCTEOSA-N 1 1 286.419 2.671 50 0 CFAAMO c1cnn(CC[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000299763362 382043616 /nfs/dbraw/zinc/04/36/16/382043616.db2.gz ZTHLVHADICFCPS-INIZCTEOSA-N 1 1 255.365 2.763 50 0 CFAAMO C[N@@H+](CC(=O)NCc1ccc2ccccc2n1)C1CCCC1 ZINC000299793304 382048572 /nfs/dbraw/zinc/04/85/72/382048572.db2.gz IMFZIGNDFREAEX-UHFFFAOYSA-N 1 1 297.402 2.725 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)o1 ZINC000188411301 382409698 /nfs/dbraw/zinc/40/96/98/382409698.db2.gz LXWRFQGWSZLAHJ-ZDUSSCGKSA-N 1 1 259.353 2.703 50 0 CFAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](O)CC1 ZINC000294086948 382409841 /nfs/dbraw/zinc/40/98/41/382409841.db2.gz RGZFMWSJDRSKSC-SZTZYQKNSA-N 1 1 261.365 2.555 50 0 CFAAMO Cc1cccc(C)c1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294221355 382465780 /nfs/dbraw/zinc/46/57/80/382465780.db2.gz NAYLKFVTTMLZGR-OKILXGFUSA-N 1 1 275.396 2.860 50 0 CFAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000022027974 184536510 /nfs/dbraw/zinc/53/65/10/184536510.db2.gz KAOMSNUYJABMCG-UHFFFAOYSA-N 1 1 294.398 2.665 50 0 CFAAMO CN(C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[N@H+]1C ZINC000421412209 382526744 /nfs/dbraw/zinc/52/67/44/382526744.db2.gz RWIVYTYPEMDYAR-WMHVBEDNSA-N 1 1 262.372 2.865 50 0 CFAAMO CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000192839120 382712859 /nfs/dbraw/zinc/71/28/59/382712859.db2.gz VABYZGQFEBVOEU-GOOCMWNKSA-N 1 1 292.398 2.939 50 0 CFAAMO CSCCC[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000215160022 382778042 /nfs/dbraw/zinc/77/80/42/382778042.db2.gz KZACVDGWOSAPOE-OAHLLOKOSA-N 1 1 264.438 2.728 50 0 CFAAMO CSCCCN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000215160022 382778044 /nfs/dbraw/zinc/77/80/44/382778044.db2.gz KZACVDGWOSAPOE-OAHLLOKOSA-N 1 1 264.438 2.728 50 0 CFAAMO CSCCCN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000215160022 382778047 /nfs/dbraw/zinc/77/80/47/382778047.db2.gz KZACVDGWOSAPOE-OAHLLOKOSA-N 1 1 264.438 2.728 50 0 CFAAMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1COCCO1 ZINC000215208709 382778191 /nfs/dbraw/zinc/77/81/91/382778191.db2.gz HFNKBDJWKAZZHR-ZDUSSCGKSA-N 1 1 289.297 2.553 50 0 CFAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)C1CCOCC1 ZINC000215170017 382778202 /nfs/dbraw/zinc/77/82/02/382778202.db2.gz IGMVWZAUHAJIDE-ZDUSSCGKSA-N 1 1 291.391 2.705 50 0 CFAAMO Cc1cc(C)nc(CN(C)C(=O)C[C@H]2CCCC[N@H+]2C)c1 ZINC000215417850 382778459 /nfs/dbraw/zinc/77/84/59/382778459.db2.gz CZEFSFKOCBMXRN-MRXNPFEDSA-N 1 1 289.423 2.531 50 0 CFAAMO CC[N@@H+](Cc1cscn1)[C@@H]1CCOC(C)(C)C1 ZINC000215474265 382779045 /nfs/dbraw/zinc/77/90/45/382779045.db2.gz YHDYUMAKGZQFFI-GFCCVEGCSA-N 1 1 254.399 2.923 50 0 CFAAMO Cn1cncc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000215465933 382779100 /nfs/dbraw/zinc/77/91/00/382779100.db2.gz JXEUCXMMUYIJED-HNNXBMFYSA-N 1 1 255.365 2.800 50 0 CFAAMO Cc1n[nH]c(C[N@@H+](C)C2CCSCC2)c1Cl ZINC000215754043 382780067 /nfs/dbraw/zinc/78/00/67/382780067.db2.gz JMOYTSUZXZJVAR-UHFFFAOYSA-N 1 1 259.806 2.699 50 0 CFAAMO Cc1n[nH]c(C[N@H+](C)C2CCSCC2)c1Cl ZINC000215754043 382780070 /nfs/dbraw/zinc/78/00/70/382780070.db2.gz JMOYTSUZXZJVAR-UHFFFAOYSA-N 1 1 259.806 2.699 50 0 CFAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(F)c1C ZINC000215684730 382780084 /nfs/dbraw/zinc/78/00/84/382780084.db2.gz HGRNTLSDULIZKI-UHFFFAOYSA-N 1 1 261.344 2.890 50 0 CFAAMO Cc1ccc2ncccc2c1C[N@@H+](C)Cc1cnccn1 ZINC000215797658 382780553 /nfs/dbraw/zinc/78/05/53/382780553.db2.gz CZSXZZIIVVOLTH-UHFFFAOYSA-N 1 1 278.359 2.965 50 0 CFAAMO Cc1nc([C@H]2CCCN2CC(C)(C)[NH+]2CCCCC2)n[nH]1 ZINC000215847700 382780585 /nfs/dbraw/zinc/78/05/85/382780585.db2.gz SQUHOTTZFXOQBY-CQSZACIVSA-N 1 1 291.443 2.515 50 0 CFAAMO CN1CC[N@H+](Cc2cccc3c4ccccc4oc32)CC1=O ZINC000215983350 382781373 /nfs/dbraw/zinc/78/13/73/382781373.db2.gz SPAJPSBCJHUEDZ-UHFFFAOYSA-N 1 1 294.354 2.860 50 0 CFAAMO CN1CC[N@@H+](Cc2cccc3c4ccccc4oc32)CC1=O ZINC000215983350 382781374 /nfs/dbraw/zinc/78/13/74/382781374.db2.gz SPAJPSBCJHUEDZ-UHFFFAOYSA-N 1 1 294.354 2.860 50 0 CFAAMO CSc1ncc(C[N@@H+](C)CC[C@H]2CCCCO2)cn1 ZINC000216149361 382781987 /nfs/dbraw/zinc/78/19/87/382781987.db2.gz FBWQSGKRXROVLS-CYBMUJFWSA-N 1 1 281.425 2.590 50 0 CFAAMO COCC1([N@@H+](C)Cc2cc(C)cc(C)c2OC)CC1 ZINC000216092147 382782286 /nfs/dbraw/zinc/78/22/86/382782286.db2.gz CFDNALWIAUWHFZ-UHFFFAOYSA-N 1 1 263.381 2.923 50 0 CFAAMO CCCn1c(C)c[nH+]c1CCNC(=O)c1ccsc1 ZINC000575317507 382758111 /nfs/dbraw/zinc/75/81/11/382758111.db2.gz LVMMZLKCAIMQNB-UHFFFAOYSA-N 1 1 277.393 2.636 50 0 CFAAMO COc1cc(CNC[C@@H]2CCC[N@@H+]2C)ccc1OC(C)C ZINC000221157667 382797420 /nfs/dbraw/zinc/79/74/20/382797420.db2.gz DXCZFJCADJLELH-HNNXBMFYSA-N 1 1 292.423 2.666 50 0 CFAAMO COc1cc(CNC[C@@H]2CCC[N@H+]2C)ccc1OC(C)C ZINC000221157667 382797423 /nfs/dbraw/zinc/79/74/23/382797423.db2.gz DXCZFJCADJLELH-HNNXBMFYSA-N 1 1 292.423 2.666 50 0 CFAAMO c1ccc2oc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000225241177 382813391 /nfs/dbraw/zinc/81/33/91/382813391.db2.gz IHURGJULAVSZMF-YPMHNXCESA-N 1 1 257.337 2.867 50 0 CFAAMO COC(=O)[C@H]1CC[N@@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000225412809 382815960 /nfs/dbraw/zinc/81/59/60/382815960.db2.gz KZZJTMLMGYGYIT-JKSUJKDBSA-N 1 1 275.392 2.921 50 0 CFAAMO COc1ccc(C[C@H]2CCC[N@@H+](CCn3ccnc3)C2)cc1 ZINC000225530272 382817560 /nfs/dbraw/zinc/81/75/60/382817560.db2.gz NNCBVKZLMGAEES-QGZVFWFLSA-N 1 1 299.418 2.846 50 0 CFAAMO CC(C)[C@H]([NH2+]Cc1nnnn1C(C)C)c1ccccc1 ZINC000225526014 382817860 /nfs/dbraw/zinc/81/78/60/382817860.db2.gz IDUOEPJPDYLBOG-HNNXBMFYSA-N 1 1 273.384 2.741 50 0 CFAAMO O=C(NCCn1cc[nH+]c1C1CC1)c1ccc(Cl)s1 ZINC000225567123 382818643 /nfs/dbraw/zinc/81/86/43/382818643.db2.gz HDQIEMVBNPWROU-UHFFFAOYSA-N 1 1 295.795 2.905 50 0 CFAAMO CC(C)[C@@H](C(=O)OCC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000225857093 382822900 /nfs/dbraw/zinc/82/29/00/382822900.db2.gz LOLZQKMCQYBGNA-HNNXBMFYSA-N 1 1 296.455 2.524 50 0 CFAAMO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000229838804 382853535 /nfs/dbraw/zinc/85/35/35/382853535.db2.gz MCELIRJKBGHNNR-IRXDYDNUSA-N 1 1 288.435 2.710 50 0 CFAAMO Fc1cccc(OCC[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000230065937 382855299 /nfs/dbraw/zinc/85/52/99/382855299.db2.gz BLOYDQPNXRMDOQ-CVEARBPZSA-N 1 1 279.355 2.848 50 0 CFAAMO C[N@H+]1C[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1 ZINC000230104143 382855722 /nfs/dbraw/zinc/85/57/22/382855722.db2.gz ZUTKUMRHLZENHR-IRXDYDNUSA-N 1 1 280.371 2.971 50 0 CFAAMO CCc1ccc(CC[NH+]2CC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000230228719 382857739 /nfs/dbraw/zinc/85/77/39/382857739.db2.gz BOBPORJLRLGBGL-ZWKOTPCHSA-N 1 1 272.436 2.818 50 0 CFAAMO CCc1ccc(CC[NH+]2CC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000230228719 382857742 /nfs/dbraw/zinc/85/77/42/382857742.db2.gz BOBPORJLRLGBGL-ZWKOTPCHSA-N 1 1 272.436 2.818 50 0 CFAAMO CC[NH+](CC)C[C@H](N[C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000242178832 382985685 /nfs/dbraw/zinc/98/56/85/382985685.db2.gz XBGBABYWGPVGGP-UAGQMJEPSA-N 1 1 276.424 2.837 50 0 CFAAMO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCSCC1 ZINC000244633521 382989921 /nfs/dbraw/zinc/98/99/21/382989921.db2.gz GEJMCLOYMLMLAN-AWEZNQCLSA-N 1 1 263.406 2.818 50 0 CFAAMO c1c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)onc1-c1ccncc1 ZINC000244787616 382993154 /nfs/dbraw/zinc/99/31/54/382993154.db2.gz QAJJDRGUZCGLQS-IAGOWNOFSA-N 1 1 299.374 2.880 50 0 CFAAMO c1c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)onc1-c1ccncc1 ZINC000244787616 382993158 /nfs/dbraw/zinc/99/31/58/382993158.db2.gz QAJJDRGUZCGLQS-IAGOWNOFSA-N 1 1 299.374 2.880 50 0 CFAAMO COC[C@@H]1CC[N@@H+](CCOc2cccc(OC(C)C)c2)C1 ZINC000244831545 382993528 /nfs/dbraw/zinc/99/35/28/382993528.db2.gz UFTAPUCYNHNPGE-OAHLLOKOSA-N 1 1 293.407 2.821 50 0 CFAAMO COc1ccc2[nH]c3c(c2c1)CN(C[C@H]1CCC[N@H+]1C)CC3 ZINC000244873325 382994202 /nfs/dbraw/zinc/99/42/02/382994202.db2.gz WOEXMIXTJWGTNH-CYBMUJFWSA-N 1 1 299.418 2.629 50 0 CFAAMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245735405 383029661 /nfs/dbraw/zinc/02/96/61/383029661.db2.gz WPCIPBUKEPRQOK-IIAWOOMASA-N 1 1 270.380 2.922 50 0 CFAAMO COCCN1CC[N@H+]([C@H](C)CCc2ccccc2)C[C@@H]1C ZINC000106776803 532971601 /nfs/dbraw/zinc/97/16/01/532971601.db2.gz WVOWAMIWMAHPIN-SJORKVTESA-N 1 1 290.451 2.660 50 0 CFAAMO Cc1[nH+]ccn1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000585118903 383115380 /nfs/dbraw/zinc/11/53/80/383115380.db2.gz HOLUQELEPMVBIN-UHFFFAOYSA-N 1 1 256.227 2.964 50 0 CFAAMO c1csc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000567107798 383242179 /nfs/dbraw/zinc/24/21/79/383242179.db2.gz RRAQFNWLDOWETL-ZDUSSCGKSA-N 1 1 260.362 2.796 50 0 CFAAMO c1csc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000567107798 383242183 /nfs/dbraw/zinc/24/21/83/383242183.db2.gz RRAQFNWLDOWETL-ZDUSSCGKSA-N 1 1 260.362 2.796 50 0 CFAAMO Brc1cncc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252711593 532979308 /nfs/dbraw/zinc/97/93/08/532979308.db2.gz JZYRIWOZBWKTRC-YPMHNXCESA-N 1 1 296.212 2.883 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248757430 383288380 /nfs/dbraw/zinc/28/83/80/383288380.db2.gz VMAMOKVKDSNLMQ-AAEUAGOBSA-N 1 1 253.773 2.851 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000249062787 383323337 /nfs/dbraw/zinc/32/33/37/383323337.db2.gz IEDCSKIRYDVMMG-OIISXLGYSA-N 1 1 278.440 2.779 50 0 CFAAMO Cc1[nH+]ccn1[C@H](C)C(=O)NCCCOC1CCCCC1 ZINC000426635496 383408338 /nfs/dbraw/zinc/40/83/38/383408338.db2.gz PSXQWSGIEVEQEK-CYBMUJFWSA-N 1 1 293.411 2.608 50 0 CFAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000252481392 383410977 /nfs/dbraw/zinc/41/09/77/383410977.db2.gz CKJNBFHVKVYIDL-MJGOQNOKSA-N 1 1 297.398 2.903 50 0 CFAAMO CCn1nccc1CC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000253419817 383456893 /nfs/dbraw/zinc/45/68/93/383456893.db2.gz CXAOHTOHMZDYMS-HUUCEWRRSA-N 1 1 279.453 2.806 50 0 CFAAMO O=C(c1ccccc1)N1CC([N@@H+]2CCc3ccccc3C2)C1 ZINC000253471478 383460661 /nfs/dbraw/zinc/46/06/61/383460661.db2.gz CTJRTOYXNVBRJT-UHFFFAOYSA-N 1 1 292.382 2.569 50 0 CFAAMO O=C(c1ccccc1)N1CC([N@H+]2CCc3ccccc3C2)C1 ZINC000253471478 383460664 /nfs/dbraw/zinc/46/06/64/383460664.db2.gz CTJRTOYXNVBRJT-UHFFFAOYSA-N 1 1 292.382 2.569 50 0 CFAAMO Cc1c[nH]c(C[NH+]2CCC(c3ccn[nH]3)CC2)c(C)c1=O ZINC000253536682 383461726 /nfs/dbraw/zinc/46/17/26/383461726.db2.gz KNKSISSGKWXIOE-UHFFFAOYSA-N 1 1 286.379 2.507 50 0 CFAAMO Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000255728827 383486464 /nfs/dbraw/zinc/48/64/64/383486464.db2.gz DJMLQVGAYZIVRL-SSCKWRJFSA-N 1 1 286.354 2.768 50 0 CFAAMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(CO)cc1 ZINC000286134847 385563611 /nfs/dbraw/zinc/56/36/11/385563611.db2.gz MVTGPIYJRYSFIE-GFCCVEGCSA-N 1 1 251.395 2.506 50 0 CFAAMO OC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccco1 ZINC000225409192 285270911 /nfs/dbraw/zinc/27/09/11/285270911.db2.gz PTENHXUVFIIBLG-UONOGXRCSA-N 1 1 273.332 2.686 50 0 CFAAMO C[N@@H+](CCc1ccncc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000095999377 256882425 /nfs/dbraw/zinc/88/24/25/256882425.db2.gz DVUIINPRDRHQSD-MRXNPFEDSA-N 1 1 290.794 2.943 50 0 CFAAMO CC[N@H+]1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095362815 184952971 /nfs/dbraw/zinc/95/29/71/184952971.db2.gz JQNZPTWJJKMRIJ-RCCFBDPRSA-N 1 1 286.419 2.577 50 0 CFAAMO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC(C)(C)C ZINC000016420672 393481544 /nfs/dbraw/zinc/48/15/44/393481544.db2.gz BJNQXADNZCUHJO-JTQLQIEISA-N 1 1 266.410 2.582 50 0 CFAAMO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000016420672 393481550 /nfs/dbraw/zinc/48/15/50/393481550.db2.gz BJNQXADNZCUHJO-JTQLQIEISA-N 1 1 266.410 2.582 50 0 CFAAMO Brc1ccc([C@@H]2CN3CCSC3=[NH+]2)cc1 ZINC000000056496 393446522 /nfs/dbraw/zinc/44/65/22/393446522.db2.gz HTHGAIADRJRJOY-JTQLQIEISA-N 1 1 283.194 2.909 50 0 CFAAMO C[N@H+](CC(=O)NC1CC1)C(c1ccccc1)c1ccccc1 ZINC000015292707 393478836 /nfs/dbraw/zinc/47/88/36/393478836.db2.gz LVSMHYLGVJTMGS-UHFFFAOYSA-N 1 1 294.398 2.986 50 0 CFAAMO C[N@@H+](CC(=O)NC1CC1)C(c1ccccc1)c1ccccc1 ZINC000015292707 393478842 /nfs/dbraw/zinc/47/88/42/393478842.db2.gz LVSMHYLGVJTMGS-UHFFFAOYSA-N 1 1 294.398 2.986 50 0 CFAAMO Fc1cc(Br)ccc1[C@H]1[NH2+]CCS1 ZINC000020247115 393486015 /nfs/dbraw/zinc/48/60/15/393486015.db2.gz FDAOCLFUOJJQOV-VIFPVBQESA-N 1 1 262.147 2.923 50 0 CFAAMO CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000030142310 393505402 /nfs/dbraw/zinc/50/54/02/393505402.db2.gz BZEVFWYCNLSODX-GFCCVEGCSA-N 1 1 271.364 2.545 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000030142310 393505406 /nfs/dbraw/zinc/50/54/06/393505406.db2.gz BZEVFWYCNLSODX-GFCCVEGCSA-N 1 1 271.364 2.545 50 0 CFAAMO C[N@@H+]1CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029002 393505455 /nfs/dbraw/zinc/50/54/55/393505455.db2.gz HTAYPYIYOLQCPR-QGZVFWFLSA-N 1 1 280.371 2.816 50 0 CFAAMO C[N@H+]1CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029002 393505459 /nfs/dbraw/zinc/50/54/59/393505459.db2.gz HTAYPYIYOLQCPR-QGZVFWFLSA-N 1 1 280.371 2.816 50 0 CFAAMO CC[C@@H]1CN(C/C=C\c2ccccc2)CC[N@H+]1CCOC ZINC000096295238 393818722 /nfs/dbraw/zinc/81/87/22/393818722.db2.gz FZFZXVGZUCIDDD-IEODJVTJSA-N 1 1 288.435 2.742 50 0 CFAAMO CC[N@H+](Cc1cccnc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000096409693 393822896 /nfs/dbraw/zinc/82/28/96/393822896.db2.gz AEOFSPQMKLFJHT-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO CC[N@@H+](Cc1cccnc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000096409693 393822902 /nfs/dbraw/zinc/82/29/02/393822902.db2.gz AEOFSPQMKLFJHT-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000096419362 393826954 /nfs/dbraw/zinc/82/69/54/393826954.db2.gz FGQICOMNOGYZKD-UHFFFAOYSA-N 1 1 294.370 2.893 50 0 CFAAMO O[C@H](C[N@@H+](Cc1ccno1)C1CC1)c1ccc(F)cc1 ZINC000096424432 393829934 /nfs/dbraw/zinc/82/99/34/393829934.db2.gz GDGQLNKNWBGYBY-OAHLLOKOSA-N 1 1 276.311 2.512 50 0 CFAAMO CC(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106135344 393866594 /nfs/dbraw/zinc/86/65/94/393866594.db2.gz KJUMQUAIEXQQOC-UKRRQHHQSA-N 1 1 260.381 2.594 50 0 CFAAMO CC(C)(C)[C@@H](O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000343848979 393890555 /nfs/dbraw/zinc/89/05/55/393890555.db2.gz UICWMGKSLFWULG-HNNXBMFYSA-N 1 1 259.393 2.941 50 0 CFAAMO Cc1csc([C@H]2CN(c3cccc(C)[nH+]3)CCO2)n1 ZINC000097096596 393840998 /nfs/dbraw/zinc/84/09/98/393840998.db2.gz XJPYJKURQWHDOO-GFCCVEGCSA-N 1 1 275.377 2.733 50 0 CFAAMO COc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000252486792 393935585 /nfs/dbraw/zinc/93/55/85/393935585.db2.gz NGHYVUFFYNSIIJ-HOCLYGCPSA-N 1 1 261.365 2.696 50 0 CFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)C1CCCC1 ZINC000047174601 543087249 /nfs/dbraw/zinc/08/72/49/543087249.db2.gz CZZPVUIYNUSQSQ-UHFFFAOYSA-N 1 1 270.336 2.704 50 0 CFAAMO C[N@H+](C1CCN(C2CCOCC2)CC1)[C@@H]1C=CCCC1 ZINC000066497761 543107206 /nfs/dbraw/zinc/10/72/06/543107206.db2.gz WLNODZHKLGETPP-OAHLLOKOSA-N 1 1 278.440 2.670 50 0 CFAAMO C[N@@H+](C1CCN(C2CCOCC2)CC1)[C@@H]1C=CCCC1 ZINC000066497761 543107210 /nfs/dbraw/zinc/10/72/10/543107210.db2.gz WLNODZHKLGETPP-OAHLLOKOSA-N 1 1 278.440 2.670 50 0 CFAAMO CC(C)CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000058431912 397590077 /nfs/dbraw/zinc/59/00/77/397590077.db2.gz DOZLBTRHNAILLX-HNNXBMFYSA-N 1 1 260.381 2.596 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C[C@@H]2C)C12CCC2 ZINC000108324364 397598103 /nfs/dbraw/zinc/59/81/03/397598103.db2.gz DXSRRUVTCJPAEB-XUWVNRHRSA-N 1 1 280.456 2.654 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@H]1CCC[C@H]1SC ZINC000108490098 397598280 /nfs/dbraw/zinc/59/82/80/397598280.db2.gz DLQIWNAQSVXMJU-UONOGXRCSA-N 1 1 267.442 2.698 50 0 CFAAMO CCCCSc1ncc(C[N@@H+](C)C2CCOCC2)cn1 ZINC000215257759 397619353 /nfs/dbraw/zinc/61/93/53/397619353.db2.gz MUCLTDMIEUHJJM-UHFFFAOYSA-N 1 1 295.452 2.980 50 0 CFAAMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000252485992 397628350 /nfs/dbraw/zinc/62/83/50/397628350.db2.gz CENVOLOKDBVQLR-TZMCWYRMSA-N 1 1 294.468 2.937 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000243885697 292167574 /nfs/dbraw/zinc/16/75/74/292167574.db2.gz ABONSXHZHXQBBR-CABCVRRESA-N 1 1 263.381 2.609 50 0 CFAAMO Cc1nnc(NC[C@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000825296796 782008046 /nfs/dbraw/zinc/00/80/46/782008046.db2.gz TULTZRVGXRVOIL-GFCCVEGCSA-N 1 1 280.441 2.913 50 0 CFAAMO Cc1ccc2c(c1)OCCC[C@H]2NC1CC[NH+](C)CC1 ZINC000089657421 292337508 /nfs/dbraw/zinc/33/75/08/292337508.db2.gz CBUNHMTYCXFTJE-MRXNPFEDSA-N 1 1 274.408 2.893 50 0 CFAAMO COc1ccc(OCC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367053355 156274292 /nfs/dbraw/zinc/27/42/92/156274292.db2.gz FGCHNOXCMRBALA-KRWDZBQOSA-N 1 1 291.391 2.577 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000003564653 169897822 /nfs/dbraw/zinc/89/78/22/169897822.db2.gz GYFVKUMAGMSRMA-CYBMUJFWSA-N 1 1 260.381 2.974 50 0 CFAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000004745145 170010681 /nfs/dbraw/zinc/01/06/81/170010681.db2.gz MMRYDGYIJPUMII-QGZVFWFLSA-N 1 1 286.419 2.829 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCCOc2ccc(C=O)cc2)C1 ZINC000004840931 170027921 /nfs/dbraw/zinc/02/79/21/170027921.db2.gz HMFBUSMMRGDVNG-AWEZNQCLSA-N 1 1 261.365 3.000 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2C=O)C1 ZINC000004842557 170028956 /nfs/dbraw/zinc/02/89/56/170028956.db2.gz MQNFBPLVEPWWGY-OAHLLOKOSA-N 1 1 291.391 2.626 50 0 CFAAMO C[C@@H]1CC[C@@H](COC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000004898716 170037921 /nfs/dbraw/zinc/03/79/21/170037921.db2.gz TUWFNZHZUSMXEP-MCIONIFRSA-N 1 1 253.386 2.698 50 0 CFAAMO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000006226804 170184008 /nfs/dbraw/zinc/18/40/08/170184008.db2.gz DZIVXOIOFMFHLM-UHFFFAOYSA-N 1 1 277.393 2.521 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000007384083 170281928 /nfs/dbraw/zinc/28/19/28/170281928.db2.gz KYLSLCBHYHRWSX-OLZOCXBDSA-N 1 1 288.391 2.948 50 0 CFAAMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000007384083 170281930 /nfs/dbraw/zinc/28/19/30/170281930.db2.gz KYLSLCBHYHRWSX-OLZOCXBDSA-N 1 1 288.391 2.948 50 0 CFAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000007486605 170287122 /nfs/dbraw/zinc/28/71/22/170287122.db2.gz QVXUWTYGUGJYIC-LBPRGKRZSA-N 1 1 292.379 2.517 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000007525337 170288727 /nfs/dbraw/zinc/28/87/27/170288727.db2.gz DTAZZEUVFFBNAW-AWEZNQCLSA-N 1 1 299.418 2.701 50 0 CFAAMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCCCC1 ZINC000008727405 170349887 /nfs/dbraw/zinc/34/98/87/170349887.db2.gz DVZOUHBYAITMRU-LBPRGKRZSA-N 1 1 298.394 2.744 50 0 CFAAMO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+](C)C)o1 ZINC000015860090 170680584 /nfs/dbraw/zinc/68/05/84/170680584.db2.gz ZRTZZEKARMKKLA-OAHLLOKOSA-N 1 1 286.375 2.929 50 0 CFAAMO CC(C)[N@@H+](CCO)CCc1ccc(F)cc1Cl ZINC000020166311 171041025 /nfs/dbraw/zinc/04/10/25/171041025.db2.gz HLLLTUQGYALTGH-UHFFFAOYSA-N 1 1 259.752 2.724 50 0 CFAAMO CC[C@@H](C1N=NC(=S)N1c1ccc(OC)cc1)[NH+](C)C ZINC000020267830 171123969 /nfs/dbraw/zinc/12/39/69/171123969.db2.gz UTPHCUBHEWXMLE-LBPRGKRZSA-N 1 1 292.408 2.577 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000020284435 171133437 /nfs/dbraw/zinc/13/34/37/171133437.db2.gz RJDOUSYOOIZENO-NSHDSACASA-N 1 1 273.302 2.997 50 0 CFAAMO Fc1cccc(C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000020306371 171142514 /nfs/dbraw/zinc/14/25/14/171142514.db2.gz XNINGORQPDSNKI-UHFFFAOYSA-N 1 1 255.296 2.763 50 0 CFAAMO COC[C@H]1CCC[N@@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020515107 171232155 /nfs/dbraw/zinc/23/21/55/171232155.db2.gz QTJRTZZZOZKBGA-CABCVRRESA-N 1 1 287.407 2.956 50 0 CFAAMO CCCOc1cccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020639518 171268709 /nfs/dbraw/zinc/26/87/09/171268709.db2.gz FXFXRIWWKCDPEW-HUUCEWRRSA-N 1 1 293.407 2.963 50 0 CFAAMO CCn1cc(C[NH2+]CCCN(C)C)c2ccccc21 ZINC000020968466 171282667 /nfs/dbraw/zinc/28/26/67/171282667.db2.gz FVGWCEDOUPSJIN-UHFFFAOYSA-N 1 1 259.397 2.703 50 0 CFAAMO CCn1cc(CNCCC[NH+](C)C)c2ccccc21 ZINC000020968466 171282668 /nfs/dbraw/zinc/28/26/68/171282668.db2.gz FVGWCEDOUPSJIN-UHFFFAOYSA-N 1 1 259.397 2.703 50 0 CFAAMO c1ccc2c(c1)cccc2OCCCC[NH+]1CCNCC1 ZINC000022385632 171386072 /nfs/dbraw/zinc/38/60/72/171386072.db2.gz WXKBMFXOQRGPNL-UHFFFAOYSA-N 1 1 284.403 2.904 50 0 CFAAMO COc1ccc(CN2CC[NH+](C)CC2)c2ccccc12 ZINC000022586724 171393421 /nfs/dbraw/zinc/39/34/21/171393421.db2.gz HSGRMOIVCZDVPU-UHFFFAOYSA-N 1 1 270.376 2.596 50 0 CFAAMO OCC1CCN([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000023374318 171420121 /nfs/dbraw/zinc/42/01/21/171420121.db2.gz IEHJVCCTRSSOHP-GOSISDBHSA-N 1 1 294.483 2.735 50 0 CFAAMO O=C1CC[N@H+](Cc2ccc3c[nH]nc3c2)C2(CCC2)C1 ZINC000660819481 413591250 /nfs/dbraw/zinc/59/12/50/413591250.db2.gz OWUIAMOKGDDGFH-UHFFFAOYSA-N 1 1 269.348 2.651 50 0 CFAAMO O=C1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C2(CCC2)C1 ZINC000660819481 413591261 /nfs/dbraw/zinc/59/12/61/413591261.db2.gz OWUIAMOKGDDGFH-UHFFFAOYSA-N 1 1 269.348 2.651 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(F)cc1 ZINC000037487702 173230067 /nfs/dbraw/zinc/23/00/67/173230067.db2.gz FAABNEUFMRZEEQ-CYBMUJFWSA-N 1 1 278.371 2.820 50 0 CFAAMO Cc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc1 ZINC000039478327 174168795 /nfs/dbraw/zinc/16/87/95/174168795.db2.gz QZUZILAQYPEBEU-GOSISDBHSA-N 1 1 290.451 2.520 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000040007878 174182561 /nfs/dbraw/zinc/18/25/61/174182561.db2.gz SFGVXXIRTPCRIM-MCIONIFRSA-N 1 1 252.402 2.508 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000040624781 174356464 /nfs/dbraw/zinc/35/64/64/174356464.db2.gz KGHVFZLXTHPKDT-ZDUSSCGKSA-N 1 1 285.391 2.628 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)no1 ZINC000044590995 175212456 /nfs/dbraw/zinc/21/24/56/175212456.db2.gz OUMPSPIBDLDRRK-CVEARBPZSA-N 1 1 272.348 2.854 50 0 CFAAMO Cn1nc(C[NH2+]Cc2cccs2)c(-c2ccccc2)n1 ZINC000045944743 175387176 /nfs/dbraw/zinc/38/71/76/175387176.db2.gz XTBGWUYPXQZUAG-UHFFFAOYSA-N 1 1 284.388 2.833 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc(F)c1 ZINC000046858522 175399796 /nfs/dbraw/zinc/39/97/96/175399796.db2.gz GJVNXXFSNUQZHM-NSHDSACASA-N 1 1 282.334 2.569 50 0 CFAAMO CCOc1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000058195937 175610794 /nfs/dbraw/zinc/61/07/94/175610794.db2.gz HTUPOGGGXAJBDN-CQSZACIVSA-N 1 1 290.407 2.545 50 0 CFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000071870564 176283816 /nfs/dbraw/zinc/28/38/16/176283816.db2.gz ZUFMWKNGFFQTFF-CABCVRRESA-N 1 1 273.380 2.711 50 0 CFAAMO CCCc1nc(C[N@@H+]2CCC[C@H]2Cn2cccn2)cs1 ZINC000071878611 176286931 /nfs/dbraw/zinc/28/69/31/176286931.db2.gz QNNRULXJZGETFA-AWEZNQCLSA-N 1 1 290.436 2.957 50 0 CFAAMO CCCc1nc(C[N@H+]2CCC[C@H]2Cn2cccn2)cs1 ZINC000071878611 176286933 /nfs/dbraw/zinc/28/69/33/176286933.db2.gz QNNRULXJZGETFA-AWEZNQCLSA-N 1 1 290.436 2.957 50 0 CFAAMO Cn1ccnc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000071897139 176292400 /nfs/dbraw/zinc/29/24/00/176292400.db2.gz RMIUBFGUTRTXSZ-UHFFFAOYSA-N 1 1 295.390 2.676 50 0 CFAAMO CC(C)(C)C[N@@H+](CCCO)Cc1cn2ccsc2n1 ZINC000071897106 176292489 /nfs/dbraw/zinc/29/24/89/176292489.db2.gz GKZOBFSHFQIZEP-UHFFFAOYSA-N 1 1 281.425 2.626 50 0 CFAAMO CN1CC[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)C1=O ZINC000071915207 176298486 /nfs/dbraw/zinc/29/84/86/176298486.db2.gz ILGCZZOFBAGIHY-ZDUSSCGKSA-N 1 1 275.739 2.531 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000071921549 176300975 /nfs/dbraw/zinc/30/09/75/176300975.db2.gz RTAJWLIATTVDJQ-OLZOCXBDSA-N 1 1 282.428 2.974 50 0 CFAAMO Cc1cc(CN2CC([N@@H+]3CCCC[C@H]3C)C2)oc1C ZINC000072139027 176322770 /nfs/dbraw/zinc/32/27/70/176322770.db2.gz CYSAJXJRDLCGFT-CYBMUJFWSA-N 1 1 262.397 2.955 50 0 CFAAMO Cc1[nH+]cc(CN(C)Cc2cnn(-c3ccccc3)c2)n1C ZINC000072146337 176324662 /nfs/dbraw/zinc/32/46/62/176324662.db2.gz NFEUJQKQASAUEX-UHFFFAOYSA-N 1 1 295.390 2.546 50 0 CFAAMO OCCC[N@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072145032 176324717 /nfs/dbraw/zinc/32/47/17/176324717.db2.gz VYNBPOKKDRISCR-HNNXBMFYSA-N 1 1 265.372 2.853 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)nc1 ZINC000072146190 176325189 /nfs/dbraw/zinc/32/51/89/176325189.db2.gz YEAPWTMMUYDOGG-QGZVFWFLSA-N 1 1 283.375 2.658 50 0 CFAAMO CN1C[C@@]2(CCC[N@@H+](Cc3ccsc3)CC2)OC1=O ZINC000072174138 176333805 /nfs/dbraw/zinc/33/38/05/176333805.db2.gz SUWJWJRKNDSDFD-AWEZNQCLSA-N 1 1 280.393 2.555 50 0 CFAAMO CC[C@H](c1ccccc1)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000072304954 176366070 /nfs/dbraw/zinc/36/60/70/176366070.db2.gz UMWPNUHHAFMJTM-DLBZAZTESA-N 1 1 276.424 2.526 50 0 CFAAMO C[N@H+]1CCN(C(=O)C[C@H]2C=CCC2)C2(CCCCC2)C1 ZINC000072306714 176366392 /nfs/dbraw/zinc/36/63/92/176366392.db2.gz FMGFIMVYJIIKQO-HNNXBMFYSA-N 1 1 276.424 2.820 50 0 CFAAMO O=C(C[N@H+]1CC[C@@H]1Cc1ccccc1)N1CCCCCC1 ZINC000072311983 176367454 /nfs/dbraw/zinc/36/74/54/176367454.db2.gz HRGSICGNQYNWJT-QGZVFWFLSA-N 1 1 286.419 2.706 50 0 CFAAMO CC[C@@H](CNc1cc(C)nc2c(C)c(C)nn21)[N@@H+](C)CC ZINC000072432553 176402779 /nfs/dbraw/zinc/40/27/79/176402779.db2.gz RANPUAVRXYXUEM-AWEZNQCLSA-N 1 1 289.427 2.797 50 0 CFAAMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077300133 177249863 /nfs/dbraw/zinc/24/98/63/177249863.db2.gz CAHHYBPNDWAJMT-KKUMJFAQSA-N 1 1 275.396 2.667 50 0 CFAAMO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000077319246 177251758 /nfs/dbraw/zinc/25/17/58/177251758.db2.gz DIEQHCMZDRIAPJ-ZDUSSCGKSA-N 1 1 289.404 2.577 50 0 CFAAMO Cc1[nH+]ccn1CCCNc1ccc(Cl)cn1 ZINC000078667886 177368203 /nfs/dbraw/zinc/36/82/03/177368203.db2.gz JYRLGLMINJCYRV-UHFFFAOYSA-N 1 1 250.733 2.742 50 0 CFAAMO CC(C)(C)N1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000037786284 260118121 /nfs/dbraw/zinc/11/81/21/260118121.db2.gz AAZDFOUQIVGLSC-UHFFFAOYSA-N 1 1 296.455 2.525 50 0 CFAAMO CCCCC1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000016391739 262025008 /nfs/dbraw/zinc/02/50/08/262025008.db2.gz PUUQNIHYXXAHMX-UHFFFAOYSA-N 1 1 266.429 2.757 50 0 CFAAMO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1c1nnc(-c2c[nH]c3ccccc23)[nH]1 ZINC000827544937 782037640 /nfs/dbraw/zinc/03/76/40/782037640.db2.gz DSWRBSHVUHNGQL-MMDVMMEASA-N 1 1 291.358 2.570 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC2(C)C)cc1 ZINC000827693849 782040204 /nfs/dbraw/zinc/04/02/04/782040204.db2.gz XPZAJAXGMXNOHZ-OAHLLOKOSA-N 1 1 283.375 2.843 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cnccn2)C1 ZINC000241588210 274286539 /nfs/dbraw/zinc/28/65/39/274286539.db2.gz PAVPJDFTOOKOFZ-HUUCEWRRSA-N 1 1 274.412 2.567 50 0 CFAAMO OCCC[N@@H+](Cc1ccncc1)[C@H]1CCc2ccccc21 ZINC000084581876 275045828 /nfs/dbraw/zinc/04/58/28/275045828.db2.gz GCICWRXGUUEBSW-SFHVURJKSA-N 1 1 282.387 2.954 50 0 CFAAMO c1ccc2c(c1)oc1c2ncnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000024659728 275071733 /nfs/dbraw/zinc/07/17/33/275071733.db2.gz GPIJLLCANAXYFB-LBPRGKRZSA-N 1 1 294.358 2.660 50 0 CFAAMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCCCO2)C1 ZINC000248089405 276236595 /nfs/dbraw/zinc/23/65/95/276236595.db2.gz LFJKGOXLRFGBGR-ARFHVFGLSA-N 1 1 296.455 2.572 50 0 CFAAMO CCOc1cc2c(cc1[C@@H]1[NH2+]CCc3nc[nH]c31)CCC2 ZINC000065374795 276371462 /nfs/dbraw/zinc/37/14/62/276371462.db2.gz DGACUIZBQNYEDR-INIZCTEOSA-N 1 1 283.375 2.532 50 0 CFAAMO C[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000244601736 277073150 /nfs/dbraw/zinc/07/31/50/277073150.db2.gz DRDTZVQFUXXXKQ-HOCLYGCPSA-N 1 1 272.392 2.522 50 0 CFAAMO C[C@@H](NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000089894203 278321901 /nfs/dbraw/zinc/32/19/01/278321901.db2.gz WSDXJFVZWBADPD-CYBMUJFWSA-N 1 1 286.419 2.695 50 0 CFAAMO C[C@@H](NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000089894203 278321902 /nfs/dbraw/zinc/32/19/02/278321902.db2.gz WSDXJFVZWBADPD-CYBMUJFWSA-N 1 1 286.419 2.695 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000016989267 278341751 /nfs/dbraw/zinc/34/17/51/278341751.db2.gz ONEAULCOXYZRDK-ZDUSSCGKSA-N 1 1 252.402 2.557 50 0 CFAAMO CC[C@@H](C)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000242292591 280094637 /nfs/dbraw/zinc/09/46/37/280094637.db2.gz YNODHIQYWCWQLK-OLZOCXBDSA-N 1 1 254.418 2.802 50 0 CFAAMO CCCc1csc([C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000252714463 281077169 /nfs/dbraw/zinc/07/71/69/281077169.db2.gz SAWBXOOBAGSBFA-NWDGAFQWSA-N 1 1 252.383 2.631 50 0 CFAAMO Cc1ccc2c(c1)ncn(CC[C@@H]1CCCC[N@@H+]1C)c2=O ZINC000032587121 281132291 /nfs/dbraw/zinc/13/22/91/281132291.db2.gz YJGRTMGEZDVGDY-AWEZNQCLSA-N 1 1 285.391 2.579 50 0 CFAAMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000071792450 281367296 /nfs/dbraw/zinc/36/72/96/281367296.db2.gz WMIYRBTWSDFWHO-CQSZACIVSA-N 1 1 255.365 2.718 50 0 CFAAMO C[C@H]1CCCC[C@@H]1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000195560417 290399337 /nfs/dbraw/zinc/39/93/37/290399337.db2.gz VQPBCXLSNVDNAQ-LSDHHAIUSA-N 1 1 267.413 2.694 50 0 CFAAMO O=C(NCc1cccs1)N1CCC[N@H+](C2CCC2)CC1 ZINC000827939365 782059177 /nfs/dbraw/zinc/05/91/77/782059177.db2.gz XVTDHCLQRXYHFN-UHFFFAOYSA-N 1 1 293.436 2.518 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCCCOC1CCCCC1 ZINC000534648495 328343679 /nfs/dbraw/zinc/34/36/79/328343679.db2.gz OIKSYDBZVWECRF-OAHLLOKOSA-N 1 1 296.455 2.716 50 0 CFAAMO CCCc1nc(CNC(=O)[C@@H]2CCCCC[N@H+]2C)cs1 ZINC000534673815 328348983 /nfs/dbraw/zinc/34/89/83/328348983.db2.gz CIKSPSMLDALQBP-ZDUSSCGKSA-N 1 1 295.452 2.586 50 0 CFAAMO CCc1noc([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)n1 ZINC000097100397 323617874 /nfs/dbraw/zinc/61/78/74/323617874.db2.gz VZCRGDLYQLSMKE-ZJUUUORDSA-N 1 1 267.373 2.629 50 0 CFAAMO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000189517317 324029223 /nfs/dbraw/zinc/02/92/23/324029223.db2.gz GZAWCMODQVIWTL-GHMZBOCLSA-N 1 1 255.387 2.532 50 0 CFAAMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H](C)C1 ZINC000071908771 327105902 /nfs/dbraw/zinc/10/59/02/327105902.db2.gz KHKHBMOJXSMUPN-HUUCEWRRSA-N 1 1 298.471 2.676 50 0 CFAAMO CC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)C(C)C ZINC000036102227 327335641 /nfs/dbraw/zinc/33/56/41/327335641.db2.gz HUSATWGYVWHKHW-CQSZACIVSA-N 1 1 251.370 2.677 50 0 CFAAMO C[NH+](C)CC(=O)Nc1ccccc1Nc1ccccc1 ZINC000131768387 329527941 /nfs/dbraw/zinc/52/79/41/329527941.db2.gz FPFFRVZTILYOTR-UHFFFAOYSA-N 1 1 269.348 2.930 50 0 CFAAMO CSC[C@@](C)(O)CNc1cc[nH+]c2ccsc21 ZINC000096453715 533762202 /nfs/dbraw/zinc/76/22/02/533762202.db2.gz NNQDSOOLDIVLJE-LBPRGKRZSA-N 1 1 268.407 2.822 50 0 CFAAMO COC(=O)c1oc([C@@H](C)[N@H+]2CCCSCC2)cc1C ZINC000096490465 534379283 /nfs/dbraw/zinc/37/92/83/534379283.db2.gz DUPCFXYEGYEMJX-LLVKDONJSA-N 1 1 283.393 2.875 50 0 CFAAMO C[N@@H+](CCCOCc1ccccc1)C[C@H]1CCOC1 ZINC000182443984 522779732 /nfs/dbraw/zinc/77/97/32/522779732.db2.gz KGRROJASMWHASZ-MRXNPFEDSA-N 1 1 263.381 2.562 50 0 CFAAMO COc1ccccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000055543998 524556840 /nfs/dbraw/zinc/55/68/40/524556840.db2.gz VKGIWNFDOJDGJA-UHFFFAOYSA-N 1 1 298.386 2.723 50 0 CFAAMO Cc1ccc(-c2noc(C[NH+]3CCCC3)n2)cc1F ZINC000055371471 525877575 /nfs/dbraw/zinc/87/75/75/525877575.db2.gz RVQVXBUXTDIRKE-UHFFFAOYSA-N 1 1 261.300 2.780 50 0 CFAAMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000096486812 527358764 /nfs/dbraw/zinc/35/87/64/527358764.db2.gz VOGNNIWQYVLHLW-ZDUSSCGKSA-N 1 1 255.308 2.700 50 0 CFAAMO CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccn1 ZINC000225807796 528843667 /nfs/dbraw/zinc/84/36/67/528843667.db2.gz IXHZDLVPTWYMTB-HUUCEWRRSA-N 1 1 289.423 2.566 50 0 CFAAMO CCOc1cc(C[N@H+](C)Cc2[nH]cnc2C)ccc1OC ZINC000252493153 545529719 /nfs/dbraw/zinc/52/97/19/545529719.db2.gz NALRFTDNJGJRMR-UHFFFAOYSA-N 1 1 289.379 2.757 50 0 CFAAMO CCOc1cc(C[N@@H+](C)Cc2[nH]cnc2C)ccc1OC ZINC000252493153 545529725 /nfs/dbraw/zinc/52/97/25/545529725.db2.gz NALRFTDNJGJRMR-UHFFFAOYSA-N 1 1 289.379 2.757 50 0 CFAAMO CCC[N@@H+]1CCC[C@@H](NCc2ccc(CC)cn2)C1 ZINC000952978794 614658646 /nfs/dbraw/zinc/65/86/46/614658646.db2.gz FKUMBQZLWPYPQQ-MRXNPFEDSA-N 1 1 261.413 2.608 50 0 CFAAMO CCC[N@H+]1CCC[C@@H](NCc2ccc(CC)cn2)C1 ZINC000952978794 614658650 /nfs/dbraw/zinc/65/86/50/614658650.db2.gz FKUMBQZLWPYPQQ-MRXNPFEDSA-N 1 1 261.413 2.608 50 0 CFAAMO CCC(=O)NC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000952990698 614849290 /nfs/dbraw/zinc/84/92/90/614849290.db2.gz OWZADDMUMIEAPF-UHFFFAOYSA-N 1 1 298.789 2.970 50 0 CFAAMO CCOc1ccc(C[N@H+]2CC=C[C@@H]2CC)cc1CO ZINC000952986482 615510024 /nfs/dbraw/zinc/51/00/24/615510024.db2.gz YKYOKBOGQGRQLB-HNNXBMFYSA-N 1 1 261.365 2.728 50 0 CFAAMO CC[C@H](C(=O)NCc1nc(C(C)(C)C)cs1)[N@@H+](C)CC ZINC000952962326 615607674 /nfs/dbraw/zinc/60/76/74/615607674.db2.gz DOLGILWBTWJTHQ-LLVKDONJSA-N 1 1 297.468 2.787 50 0 CFAAMO CCO[P@@](C)(=O)C[N@H+](C)C[P@@](C)(=O)OCC ZINC000022016586 617939367 /nfs/dbraw/zinc/93/93/67/617939367.db2.gz ZBEBMYYKVDEPRF-IYBDPMFKSA-N 1 1 271.234 2.722 50 0 CFAAMO CCO[P@@](C)(=O)C[N@@H+](C)C[P@@](C)(=O)OCC ZINC000022016586 617939365 /nfs/dbraw/zinc/93/93/65/617939365.db2.gz ZBEBMYYKVDEPRF-IYBDPMFKSA-N 1 1 271.234 2.722 50 0 CFAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@H]2CO)o1 ZINC000022077693 617961985 /nfs/dbraw/zinc/96/19/85/617961985.db2.gz QFFWDZSLUXPINE-GXTWGEPZSA-N 1 1 251.370 2.928 50 0 CFAAMO CN(Cc1ccccc1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000023375344 618454845 /nfs/dbraw/zinc/45/48/45/618454845.db2.gz JOBDNUMQKUHHRO-SFHVURJKSA-N 1 1 288.435 2.762 50 0 CFAAMO CC(=O)c1cc(C(=O)N(C)C[C@H]2CCCC[N@H+]2C)cs1 ZINC000019789586 618793116 /nfs/dbraw/zinc/79/31/16/618793116.db2.gz ADVHVSBIUUCWIU-CYBMUJFWSA-N 1 1 294.420 2.507 50 0 CFAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000004021868 618886645 /nfs/dbraw/zinc/88/66/45/618886645.db2.gz HRYONARCMQWNRK-HNRFISLBSA-N 1 1 264.413 2.876 50 0 CFAAMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@@H]([C@H](O)c2ccccc2)C1 ZINC000263593456 620160433 /nfs/dbraw/zinc/16/04/33/620160433.db2.gz BGKCTMYJKSVGSD-QRVBRYPASA-N 1 1 297.398 2.560 50 0 CFAAMO C[C@@H]1CN(c2ncncc2Cl)CC[N@H+]1C1CCCC1 ZINC000952992950 650792887 /nfs/dbraw/zinc/79/28/87/650792887.db2.gz DOIDBPMFNQGHAW-LLVKDONJSA-N 1 1 280.803 2.583 50 0 CFAAMO CCC[N@H+](Cc1cc(C(C)=O)cn1C)C[C@@H]1CCCO1 ZINC000216088725 646524037 /nfs/dbraw/zinc/52/40/37/646524037.db2.gz AYCTWDOPAVIYKA-INIZCTEOSA-N 1 1 278.396 2.619 50 0 CFAAMO CCC[N@@H+](CC1CC1)C1CCN(C(=O)OCC)CC1 ZINC000000757836 651113627 /nfs/dbraw/zinc/11/36/27/651113627.db2.gz KXUHIVPNGOEMDW-UHFFFAOYSA-N 1 1 268.401 2.729 50 0 CFAAMO COCCN1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000015067946 651184859 /nfs/dbraw/zinc/18/48/59/651184859.db2.gz ZWGOEISOIYLHRQ-KRWDZBQOSA-N 1 1 280.456 2.611 50 0 CFAAMO COCCN1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000015067946 651184861 /nfs/dbraw/zinc/18/48/61/651184861.db2.gz ZWGOEISOIYLHRQ-KRWDZBQOSA-N 1 1 280.456 2.611 50 0 CFAAMO c1cc(-c2noc([C@H]3CCC[N@@H+]4CCCC[C@H]34)n2)ccn1 ZINC000019336588 651289276 /nfs/dbraw/zinc/28/92/76/651289276.db2.gz MPCGGSJDQARUNW-UONOGXRCSA-N 1 1 284.363 2.864 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)NC(C)(C)C)n1C1CCC1 ZINC000581815819 775473907 /nfs/dbraw/zinc/47/39/07/775473907.db2.gz SFYXURJEZAHREE-UHFFFAOYSA-N 1 1 278.400 2.557 50 0 CFAAMO CC(C)Cc1nnc([C@@H](C)[NH+]2CCCCCC2)[nH]1 ZINC000822182711 781893925 /nfs/dbraw/zinc/89/39/25/781893925.db2.gz KUNJODZBLXWWGF-GFCCVEGCSA-N 1 1 250.390 2.940 50 0 CFAAMO CC(C)c1cnc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)nc1 ZINC000822273329 781896051 /nfs/dbraw/zinc/89/60/51/781896051.db2.gz PTGPIFHNKOPJMZ-CYBMUJFWSA-N 1 1 262.401 2.885 50 0 CFAAMO Cc1cccc([C@@H](C)[NH2+]Cc2nnnn2C(C)C)c1C ZINC000096491888 230382726 /nfs/dbraw/zinc/38/27/26/230382726.db2.gz SCZFFJDQWDSTPK-CYBMUJFWSA-N 1 1 273.384 2.722 50 0 CFAAMO Cn1ccc2cc(CN3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000097742956 230386828 /nfs/dbraw/zinc/38/68/28/230386828.db2.gz USVKVFWZUYYMRC-SFHVURJKSA-N 1 1 283.419 2.754 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1ccc2ncccc2c1 ZINC000095511795 185001710 /nfs/dbraw/zinc/00/17/10/185001710.db2.gz GKEMPDRXVNCKRX-HNNXBMFYSA-N 1 1 298.390 2.841 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000095951791 185040322 /nfs/dbraw/zinc/04/03/22/185040322.db2.gz REQNEFAEKMHHTN-INIZCTEOSA-N 1 1 290.407 2.574 50 0 CFAAMO Cc1cc(C)n(C[C@H](C)C[NH2+]C2CCN(C(C)C)CC2)n1 ZINC000095967323 185046999 /nfs/dbraw/zinc/04/69/99/185046999.db2.gz SLWYTSDRRCVAAS-CQSZACIVSA-N 1 1 292.471 2.598 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)C12CCC2 ZINC000095968520 185048074 /nfs/dbraw/zinc/04/80/74/185048074.db2.gz DOMCDIBRVQOPJM-DLBZAZTESA-N 1 1 292.467 2.798 50 0 CFAAMO CN(C)c1ncccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000095975131 185051303 /nfs/dbraw/zinc/05/13/03/185051303.db2.gz VQNGBSRBCDIWQM-UHFFFAOYSA-N 1 1 277.318 2.716 50 0 CFAAMO OC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000095982216 185053700 /nfs/dbraw/zinc/05/37/00/185053700.db2.gz QSEMUAZRKVBYIY-SNVBAGLBSA-N 1 1 257.736 2.683 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000095982216 185053702 /nfs/dbraw/zinc/05/37/02/185053702.db2.gz QSEMUAZRKVBYIY-SNVBAGLBSA-N 1 1 257.736 2.683 50 0 CFAAMO Cc1cc(Br)ccc1C[NH+]1CCC(O)CC1 ZINC000095982303 185053828 /nfs/dbraw/zinc/05/38/28/185053828.db2.gz OIESDOWYKIZZMI-UHFFFAOYSA-N 1 1 284.197 2.714 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000095986723 185056187 /nfs/dbraw/zinc/05/61/87/185056187.db2.gz HIMHGVPDXZUKFT-CYBMUJFWSA-N 1 1 279.428 2.576 50 0 CFAAMO COc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1OC ZINC000095995868 185060052 /nfs/dbraw/zinc/06/00/52/185060052.db2.gz XKXAMJQQLGEQRL-INIZCTEOSA-N 1 1 279.380 2.561 50 0 CFAAMO COc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1OC ZINC000095995868 185060053 /nfs/dbraw/zinc/06/00/53/185060053.db2.gz XKXAMJQQLGEQRL-INIZCTEOSA-N 1 1 279.380 2.561 50 0 CFAAMO CCOC(=O)[C@@H]1[C@H](C[N@@H+](CCOC)[C@@H](C)C2CC2)C1(C)C ZINC000096009207 185063522 /nfs/dbraw/zinc/06/35/22/185063522.db2.gz IOTAGSUDDFIWCC-QEJZJMRPSA-N 1 1 297.439 2.569 50 0 CFAAMO CSC[C@@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000096008394 185063639 /nfs/dbraw/zinc/06/36/39/185063639.db2.gz CBJSVGBKAAYUGD-NSHDSACASA-N 1 1 288.420 2.539 50 0 CFAAMO CCc1nc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)co1 ZINC000096013677 185065281 /nfs/dbraw/zinc/06/52/81/185065281.db2.gz HMLMMPDZUTVDMI-ZDUSSCGKSA-N 1 1 293.411 2.621 50 0 CFAAMO CC[N@@H+](C)[C@@H](C)C(=O)NCC1(CC(C)C)CCC1 ZINC000823061389 781919547 /nfs/dbraw/zinc/91/95/47/781919547.db2.gz ZYMBBQFYHLHJIB-ZDUSSCGKSA-N 1 1 254.418 2.659 50 0 CFAAMO CC[C@H](C(=O)NCc1c(F)cccc1Cl)[N@@H+](C)CC ZINC000823061310 781919946 /nfs/dbraw/zinc/91/99/46/781919946.db2.gz DDFQQMULRIDURG-CYBMUJFWSA-N 1 1 286.778 2.826 50 0 CFAAMO COCCCN1CCC([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000097020451 185152741 /nfs/dbraw/zinc/15/27/41/185152741.db2.gz HLGONIWBYQGTHY-HUUCEWRRSA-N 1 1 282.472 2.902 50 0 CFAAMO CCc1nn(C)cc1C[N@H+](C)Cc1cccc(OC)c1 ZINC000097033805 185156702 /nfs/dbraw/zinc/15/67/02/185156702.db2.gz NXYACIWVTANHRE-UHFFFAOYSA-N 1 1 273.380 2.623 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)Cc1cccc(OC)c1 ZINC000097033805 185156703 /nfs/dbraw/zinc/15/67/03/185156703.db2.gz NXYACIWVTANHRE-UHFFFAOYSA-N 1 1 273.380 2.623 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069328469 539373431 /nfs/dbraw/zinc/37/34/31/539373431.db2.gz GJKZOCFGUZQGQU-DLBZAZTESA-N 1 1 272.392 2.662 50 0 CFAAMO Cc1nnc(C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)n1C ZINC000134261985 282315675 /nfs/dbraw/zinc/31/56/75/282315675.db2.gz RGLKFTWCBJZROP-HNNXBMFYSA-N 1 1 284.407 2.749 50 0 CFAAMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000075093165 347054550 /nfs/dbraw/zinc/05/45/50/347054550.db2.gz YTXKYKPTAMTDPF-SWLSCSKDSA-N 1 1 271.364 2.734 50 0 CFAAMO Cc1cccc(C)c1-n1nnnc1[C@H](C(C)C)[NH+](C)C ZINC000075283744 347064397 /nfs/dbraw/zinc/06/43/97/347064397.db2.gz UPOXKAYNLJGUEA-ZDUSSCGKSA-N 1 1 273.384 2.538 50 0 CFAAMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072368038 539464851 /nfs/dbraw/zinc/46/48/51/539464851.db2.gz FEMZTJPIAWCAEL-ZDUSSCGKSA-N 1 1 295.390 2.676 50 0 CFAAMO Cn1ccnc1C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072368038 539464853 /nfs/dbraw/zinc/46/48/53/539464853.db2.gz FEMZTJPIAWCAEL-ZDUSSCGKSA-N 1 1 295.390 2.676 50 0 CFAAMO CS(=O)(=O)C[C@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000097379068 185593785 /nfs/dbraw/zinc/59/37/85/185593785.db2.gz SXDHAGOKOHAFBT-AWEZNQCLSA-N 1 1 295.429 2.624 50 0 CFAAMO CCc1nc(Cc2nc([C@@H]3CCCCC[NH2+]3)no2)cs1 ZINC000096001534 347699810 /nfs/dbraw/zinc/69/98/10/347699810.db2.gz CGPVADDYBPYHEV-NSHDSACASA-N 1 1 292.408 2.884 50 0 CFAAMO CSC[C@H]1CCC[N@@H+]1Cc1nc(-c2cccs2)n[nH]1 ZINC000097370597 347708728 /nfs/dbraw/zinc/70/87/28/347708728.db2.gz NCQSNKDFCOFBIL-SNVBAGLBSA-N 1 1 294.449 2.861 50 0 CFAAMO CSC[C@H]1CCC[N@H+]1Cc1nc(-c2cccs2)n[nH]1 ZINC000097370597 347708730 /nfs/dbraw/zinc/70/87/30/347708730.db2.gz NCQSNKDFCOFBIL-SNVBAGLBSA-N 1 1 294.449 2.861 50 0 CFAAMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccncc1 ZINC000097370667 347708743 /nfs/dbraw/zinc/70/87/43/347708743.db2.gz UITQSMITQQWXCI-ZDUSSCGKSA-N 1 1 293.374 2.728 50 0 CFAAMO CC[N@@H+]1CC[C@H](CNCc2ccc(OC)c(Cl)c2)C1 ZINC000086585491 179309877 /nfs/dbraw/zinc/30/98/77/179309877.db2.gz BDOJVAGKAPCIRE-CYBMUJFWSA-N 1 1 282.815 2.780 50 0 CFAAMO CC[N@H+]1CC[C@H](CNCc2ccc(OC)c(Cl)c2)C1 ZINC000086585491 179309878 /nfs/dbraw/zinc/30/98/78/179309878.db2.gz BDOJVAGKAPCIRE-CYBMUJFWSA-N 1 1 282.815 2.780 50 0 CFAAMO CC(C)CC[N@@H+](C1CCOCC1)C1CCN(C)CC1 ZINC000169752275 348052538 /nfs/dbraw/zinc/05/25/38/348052538.db2.gz XYRKROTVGHQIQX-UHFFFAOYSA-N 1 1 268.445 2.608 50 0 CFAAMO CC(C)n1cnnc1C1CC[NH+](Cc2nccs2)CC1 ZINC000170073962 348053462 /nfs/dbraw/zinc/05/34/62/348053462.db2.gz XMDCHXPDNRONHC-UHFFFAOYSA-N 1 1 291.424 2.695 50 0 CFAAMO COc1ccc(OC)c(CN(C)c2[nH+]cnc3[nH]ccc32)c1 ZINC000170620455 348057495 /nfs/dbraw/zinc/05/74/95/348057495.db2.gz JSXYOQHNNLQBFF-UHFFFAOYSA-N 1 1 298.346 2.612 50 0 CFAAMO C[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CCCO1 ZINC000193237260 348142353 /nfs/dbraw/zinc/14/23/53/348142353.db2.gz GACGVXJJNMGGLV-INIZCTEOSA-N 1 1 275.392 2.665 50 0 CFAAMO COc1ccc([C@@H]2C[C@H](C)C[N@H+]2CCC2OCCO2)cc1 ZINC000195565960 348146827 /nfs/dbraw/zinc/14/68/27/348146827.db2.gz GMNKJOBJMRGVCS-BBRMVZONSA-N 1 1 291.391 2.841 50 0 CFAAMO O=C(NCC1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc[nH]1 ZINC000225567560 348178122 /nfs/dbraw/zinc/17/81/22/348178122.db2.gz WEQVVJHNHPRLFH-INIZCTEOSA-N 1 1 289.423 2.676 50 0 CFAAMO O=C(NCC1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc[nH]1 ZINC000225567560 348178124 /nfs/dbraw/zinc/17/81/24/348178124.db2.gz WEQVVJHNHPRLFH-INIZCTEOSA-N 1 1 289.423 2.676 50 0 CFAAMO C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229647500 348203187 /nfs/dbraw/zinc/20/31/87/348203187.db2.gz QHJVVSCIOFLWDT-GXTWGEPZSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229647500 348203189 /nfs/dbraw/zinc/20/31/89/348203189.db2.gz QHJVVSCIOFLWDT-GXTWGEPZSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229647500 348203192 /nfs/dbraw/zinc/20/31/92/348203192.db2.gz QHJVVSCIOFLWDT-GXTWGEPZSA-N 1 1 256.353 2.745 50 0 CFAAMO CCc1ccc(C[N@@H+](C)C[C@H]2CC[C@H](O)CC2)nc1 ZINC000244691880 348250546 /nfs/dbraw/zinc/25/05/46/348250546.db2.gz JKRXRFWFROZWBE-KOMQPUFPSA-N 1 1 262.397 2.627 50 0 CFAAMO Cc1ccc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)nc1 ZINC000400917518 348575536 /nfs/dbraw/zinc/57/55/36/348575536.db2.gz UCJOEGMEOWYBNF-UHFFFAOYSA-N 1 1 272.396 2.711 50 0 CFAAMO Cc1cccc2nc(CC[NH2+][C@H]3CCCSC3)[nH]c21 ZINC000584893109 348728901 /nfs/dbraw/zinc/72/89/01/348728901.db2.gz SHWBDFJUUZIESB-LBPRGKRZSA-N 1 1 275.421 2.899 50 0 CFAAMO Cc1cc(C)c(CN(C)C[C@H]2CCC[N@H+]2C)c(C)c1CO ZINC000584894418 348730192 /nfs/dbraw/zinc/73/01/92/348730192.db2.gz QQSBTSQDGSKPEM-MRXNPFEDSA-N 1 1 290.451 2.630 50 0 CFAAMO Cc1cc(C)c(C[N@@H+](C)C[C@H]2CCCN2C)c(C)c1CO ZINC000584894418 348730195 /nfs/dbraw/zinc/73/01/95/348730195.db2.gz QQSBTSQDGSKPEM-MRXNPFEDSA-N 1 1 290.451 2.630 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)C[C@H]2CCCN2C)c(C)c1CO ZINC000584894418 348730199 /nfs/dbraw/zinc/73/01/99/348730199.db2.gz QQSBTSQDGSKPEM-MRXNPFEDSA-N 1 1 290.451 2.630 50 0 CFAAMO CCc1[nH+]ccn1C[C@@H](C)N1CC(Oc2ccccc2)C1 ZINC000584901287 348733111 /nfs/dbraw/zinc/73/31/11/348733111.db2.gz MJNWGVWGELQMFD-CQSZACIVSA-N 1 1 285.391 2.597 50 0 CFAAMO CCSC[C@H](C)[N@@H+](C)CCn1nc(C)cc1C ZINC000823421468 781928307 /nfs/dbraw/zinc/92/83/07/781928307.db2.gz LIHCKURLVCLPRH-ZDUSSCGKSA-N 1 1 255.431 2.573 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1cnccn1 ZINC000090912087 180063060 /nfs/dbraw/zinc/06/30/60/180063060.db2.gz SIXMXGCMTDBTET-GFCCVEGCSA-N 1 1 284.363 2.654 50 0 CFAAMO Cc1cccc(C[N@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)n1 ZINC000091320279 180133389 /nfs/dbraw/zinc/13/33/89/180133389.db2.gz GBHNPGQUSVQIKL-GOSISDBHSA-N 1 1 296.414 2.947 50 0 CFAAMO COc1ccc2c(c1)OC[C@@H](Cc1ccc(N(C)C)[nH+]c1)C2 ZINC000091288651 180121902 /nfs/dbraw/zinc/12/19/02/180121902.db2.gz AAVRYBRUQSYFIR-AWEZNQCLSA-N 1 1 298.386 2.950 50 0 CFAAMO CCC[N@H+]1CC[C@H](CNc2nnc(C3CC3)s2)C1 ZINC000091457274 180161031 /nfs/dbraw/zinc/16/10/31/180161031.db2.gz WSFMTMQBULSOIG-SNVBAGLBSA-N 1 1 266.414 2.559 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCNc1ncnc2cccc(F)c21 ZINC000091616808 180208663 /nfs/dbraw/zinc/20/86/63/180208663.db2.gz LTVCPQFLCRTUAV-NSHDSACASA-N 1 1 274.343 2.665 50 0 CFAAMO CNc1cc(C)[nH+]c(C[C@H]2COc3cc(OC)ccc3C2)n1 ZINC000091586010 180199407 /nfs/dbraw/zinc/19/94/07/180199407.db2.gz GLPXHAYUMJYHML-LBPRGKRZSA-N 1 1 299.374 2.629 50 0 CFAAMO CCOCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091585570 180199493 /nfs/dbraw/zinc/19/94/93/180199493.db2.gz IODCYKKKGPODMI-ZWKOTPCHSA-N 1 1 288.435 2.619 50 0 CFAAMO CCOCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091585570 180199495 /nfs/dbraw/zinc/19/94/95/180199495.db2.gz IODCYKKKGPODMI-ZWKOTPCHSA-N 1 1 288.435 2.619 50 0 CFAAMO CCOCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091585570 180199497 /nfs/dbraw/zinc/19/94/97/180199497.db2.gz IODCYKKKGPODMI-ZWKOTPCHSA-N 1 1 288.435 2.619 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)s1)C2 ZINC000091586862 180200679 /nfs/dbraw/zinc/20/06/79/180200679.db2.gz WMDBKUNHYZMLRV-WDEREUQCSA-N 1 1 270.829 2.928 50 0 CFAAMO CCc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)nc1 ZINC000091593011 180201361 /nfs/dbraw/zinc/20/13/61/180201361.db2.gz MQMDIJVMDHUNKV-PKOBYXMFSA-N 1 1 299.462 2.950 50 0 CFAAMO CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)nc1 ZINC000091593011 180201364 /nfs/dbraw/zinc/20/13/64/180201364.db2.gz MQMDIJVMDHUNKV-PKOBYXMFSA-N 1 1 299.462 2.950 50 0 CFAAMO CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)nc1 ZINC000091593011 180201366 /nfs/dbraw/zinc/20/13/66/180201366.db2.gz MQMDIJVMDHUNKV-PKOBYXMFSA-N 1 1 299.462 2.950 50 0 CFAAMO Cc1nonc1C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000091535647 180182284 /nfs/dbraw/zinc/18/22/84/180182284.db2.gz MAWLRMIBWHQHOC-MRXNPFEDSA-N 1 1 271.364 2.932 50 0 CFAAMO CCc1nc(C)sc1C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000091649850 180216325 /nfs/dbraw/zinc/21/63/25/180216325.db2.gz AXWQENVCTHYKRO-YGRLFVJLSA-N 1 1 268.426 2.607 50 0 CFAAMO CC[N@@H+](CCCCO)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091807960 180260907 /nfs/dbraw/zinc/26/09/07/180260907.db2.gz COBFJIKMWCTPNV-UHFFFAOYSA-N 1 1 292.354 2.674 50 0 CFAAMO COCC[C@]1(O)CC[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC000091846702 180270610 /nfs/dbraw/zinc/27/06/10/180270610.db2.gz LLDJTKWOJKMVLS-SJLPKXTDSA-N 1 1 291.435 2.729 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091943580 180290268 /nfs/dbraw/zinc/29/02/68/180290268.db2.gz AMJCHNYVBVTHDK-INIZCTEOSA-N 1 1 278.396 2.666 50 0 CFAAMO COCCC[C@]1(CO)CCC[N@H+](C2CCCCC2)C1 ZINC000091908034 180284180 /nfs/dbraw/zinc/28/41/80/180284180.db2.gz USDFXODTIRKSRD-MRXNPFEDSA-N 1 1 269.429 2.820 50 0 CFAAMO c1ccc([C@@H]2CCC[N@H+](CCNc3ccncn3)C2)cc1 ZINC000092098449 180324799 /nfs/dbraw/zinc/32/47/99/180324799.db2.gz SWKPZZLRKVECGD-MRXNPFEDSA-N 1 1 282.391 2.768 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)C/C(C)=C/c2ccccc2)C1 ZINC000092101140 180325550 /nfs/dbraw/zinc/32/55/50/180325550.db2.gz QEHOGCUKJFBNBI-OTMARIDSSA-N 1 1 286.419 2.890 50 0 CFAAMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)CC(C)(C)C ZINC000092217716 180345636 /nfs/dbraw/zinc/34/56/36/180345636.db2.gz ICOWFYMUAWOKIW-KRWDZBQOSA-N 1 1 253.411 2.902 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccco2)C1 ZINC000106516573 186123484 /nfs/dbraw/zinc/12/34/84/186123484.db2.gz SKBVMUNSWDQPKD-DANTVBBOSA-N 1 1 276.380 2.529 50 0 CFAAMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1nnc(C)s1 ZINC000271413276 191124505 /nfs/dbraw/zinc/12/45/05/191124505.db2.gz KMYUAOKYVBNYIX-LLVKDONJSA-N 1 1 291.420 2.918 50 0 CFAAMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nnc(C)s1 ZINC000271413276 191124506 /nfs/dbraw/zinc/12/45/06/191124506.db2.gz KMYUAOKYVBNYIX-LLVKDONJSA-N 1 1 291.420 2.918 50 0 CFAAMO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)o1 ZINC000111216011 186370416 /nfs/dbraw/zinc/37/04/16/186370416.db2.gz UQENOGYBDKTRKV-JSGCOSHPSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1nnc([C@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)o1 ZINC000111216011 186370417 /nfs/dbraw/zinc/37/04/17/186370417.db2.gz UQENOGYBDKTRKV-JSGCOSHPSA-N 1 1 286.379 2.879 50 0 CFAAMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cnn(C)c1 ZINC000119703270 186845472 /nfs/dbraw/zinc/84/54/72/186845472.db2.gz IPQJNMWYLZLLFA-NTEUORMPSA-N 1 1 255.365 2.955 50 0 CFAAMO Cc1ccccc1-n1cc(CN(C)C[C@@H]2CCC[N@H+]2C)cn1 ZINC000215081848 539965661 /nfs/dbraw/zinc/96/56/61/539965661.db2.gz YRLCAOABOCOUMW-KRWDZBQOSA-N 1 1 298.434 2.707 50 0 CFAAMO c1ccc(OCC[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158006534 188352124 /nfs/dbraw/zinc/35/21/24/188352124.db2.gz WVDPLMOLQFZKQE-UHFFFAOYSA-N 1 1 261.365 2.710 50 0 CFAAMO CCc1nnc(C[N@@H+]2CCCC3(CCCCC3)C2)[nH]1 ZINC000158526251 188380931 /nfs/dbraw/zinc/38/09/31/188380931.db2.gz SVBZBUQUNHVBQT-UHFFFAOYSA-N 1 1 262.401 2.913 50 0 CFAAMO CCc1nnc(C[N@H+]2CCCC3(CCCCC3)C2)[nH]1 ZINC000158526251 188380932 /nfs/dbraw/zinc/38/09/32/188380932.db2.gz SVBZBUQUNHVBQT-UHFFFAOYSA-N 1 1 262.401 2.913 50 0 CFAAMO O=C(Nc1cccc(O)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000158668140 188388457 /nfs/dbraw/zinc/38/84/57/188388457.db2.gz MQSOYOXBDHYCRD-CYBMUJFWSA-N 1 1 288.391 2.985 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CN1C ZINC000685939803 540020989 /nfs/dbraw/zinc/02/09/89/540020989.db2.gz NULNFUOUPJZLHE-OAGGEKHMSA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@H](N2CCC[C@@H](n3cnc4ccccc43)C2)C[N@@H+]1C ZINC000685939803 540020993 /nfs/dbraw/zinc/02/09/93/540020993.db2.gz NULNFUOUPJZLHE-OAGGEKHMSA-N 1 1 298.434 2.766 50 0 CFAAMO C[C@@H]1C[C@H](N2CCC[C@@H](n3cnc4ccccc43)C2)C[N@H+]1C ZINC000685939803 540020995 /nfs/dbraw/zinc/02/09/95/540020995.db2.gz NULNFUOUPJZLHE-OAGGEKHMSA-N 1 1 298.434 2.766 50 0 CFAAMO Cc1nc(C)c(CN[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000628339060 354552644 /nfs/dbraw/zinc/55/26/44/354552644.db2.gz DIXMXTIYHSVHKT-AWEZNQCLSA-N 1 1 277.412 2.788 50 0 CFAAMO C[C@H]([NH2+]Cc1cccs1)c1nnc2n1CCCC2 ZINC000084668009 540204854 /nfs/dbraw/zinc/20/48/54/540204854.db2.gz STFIDZPZMYGACW-JTQLQIEISA-N 1 1 262.382 2.527 50 0 CFAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000016156171 283326063 /nfs/dbraw/zinc/32/60/63/283326063.db2.gz OVXHCXQXXLLNRL-QZTJIDSGSA-N 1 1 294.398 2.778 50 0 CFAAMO Cc1ccc2cc(C[N@@H+](C)C[C@H]3CCOC3)c(=O)[nH]c2c1 ZINC000823708594 781936662 /nfs/dbraw/zinc/93/66/62/781936662.db2.gz XODWCSMBEYGPMW-CYBMUJFWSA-N 1 1 286.375 2.717 50 0 CFAAMO O=C([C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC000095966905 540725732 /nfs/dbraw/zinc/72/57/32/540725732.db2.gz KQMZGONPICMGPF-OAHLLOKOSA-N 1 1 264.413 2.511 50 0 CFAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCc3sccc3C2)C1 ZINC000089840157 540719766 /nfs/dbraw/zinc/71/97/66/540719766.db2.gz AMXQNGVRUCIKAZ-CQSZACIVSA-N 1 1 292.448 2.611 50 0 CFAAMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1c(F)cccc1F ZINC000093739050 540723402 /nfs/dbraw/zinc/72/34/02/540723402.db2.gz MNSSCZZZQKMDIF-QWRGUYRKSA-N 1 1 255.308 2.558 50 0 CFAAMO CC(C)(C)SCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000252507284 540750523 /nfs/dbraw/zinc/75/05/23/540750523.db2.gz WFYOYBGKKVSUOY-QWHCGFSZSA-N 1 1 284.469 2.509 50 0 CFAAMO COC(=O)c1oc(C[N@H+](C)[C@H](C)c2cccnc2)cc1C ZINC000179141685 189172813 /nfs/dbraw/zinc/17/28/13/189172813.db2.gz VMEVKEOMKKKUHN-GFCCVEGCSA-N 1 1 288.347 2.963 50 0 CFAAMO COC(=O)c1oc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1C ZINC000179141685 189172814 /nfs/dbraw/zinc/17/28/14/189172814.db2.gz VMEVKEOMKKKUHN-GFCCVEGCSA-N 1 1 288.347 2.963 50 0 CFAAMO Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179468504 189195882 /nfs/dbraw/zinc/19/58/82/189195882.db2.gz DJMLQVGAYZIVRL-BCMPFUBYSA-N 1 1 286.354 2.768 50 0 CFAAMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cnc2ccccc2n1 ZINC000585093519 540937986 /nfs/dbraw/zinc/93/79/86/540937986.db2.gz GKWJFEMAXQZRHL-LLVKDONJSA-N 1 1 268.320 2.501 50 0 CFAAMO Cc1nc2ccc(Cl)cn2c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000670444300 540996761 /nfs/dbraw/zinc/99/67/61/540996761.db2.gz NNGPUPYTCGWBSO-ZDUSSCGKSA-N 1 1 293.798 2.907 50 0 CFAAMO C[N@@H+](C[C@H]1CCCO1)C1CCN(c2ccccc2F)CC1 ZINC000670450059 540998763 /nfs/dbraw/zinc/99/87/63/540998763.db2.gz VUORPWZGTCPGSU-OAHLLOKOSA-N 1 1 292.398 2.905 50 0 CFAAMO C[N@H+](Cc1cnc(-c2cccs2)nc1)C[C@@H]1CCOC1 ZINC000670454159 541000295 /nfs/dbraw/zinc/00/02/95/541000295.db2.gz XFMMWGLSOAZRMB-LBPRGKRZSA-N 1 1 289.404 2.673 50 0 CFAAMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000670460972 541003196 /nfs/dbraw/zinc/00/31/96/541003196.db2.gz YEPDCSXGMBNLGJ-CQSZACIVSA-N 1 1 258.365 2.761 50 0 CFAAMO CC/C(C)=C/CC[N@H+](C)C[C@@H]1CC(=O)N(CC)C1 ZINC000670469958 541009012 /nfs/dbraw/zinc/00/90/12/541009012.db2.gz LMXGTPJBUWNXIN-CZAWJFPGSA-N 1 1 252.402 2.533 50 0 CFAAMO Cn1ccnc1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000670470886 541009709 /nfs/dbraw/zinc/00/97/09/541009709.db2.gz LCHTYHDDLCTSQZ-MRXNPFEDSA-N 1 1 269.392 2.842 50 0 CFAAMO CC(C)c1[nH+]ccn1CC(=O)N1c2ccccc2C[C@H]1C ZINC000182841368 189336916 /nfs/dbraw/zinc/33/69/16/189336916.db2.gz IIHQCTFBLPXJRR-CYBMUJFWSA-N 1 1 283.375 2.984 50 0 CFAAMO COCC[C@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000268021984 541667334 /nfs/dbraw/zinc/66/73/34/541667334.db2.gz VZMDESVWMYINJL-HNNXBMFYSA-N 1 1 262.397 2.624 50 0 CFAAMO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000226458326 189775527 /nfs/dbraw/zinc/77/55/27/189775527.db2.gz VDGUYYDRKTUPQS-CJNGLKHVSA-N 1 1 277.408 2.775 50 0 CFAAMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000331812958 204191747 /nfs/dbraw/zinc/19/17/47/204191747.db2.gz LPFMMVDEJLTEOQ-CHWSQXEVSA-N 1 1 289.383 2.535 50 0 CFAAMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000331812958 204191751 /nfs/dbraw/zinc/19/17/51/204191751.db2.gz LPFMMVDEJLTEOQ-CHWSQXEVSA-N 1 1 289.383 2.535 50 0 CFAAMO OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000000218213 371560304 /nfs/dbraw/zinc/56/03/04/371560304.db2.gz YWHOQYBECZVTOL-SNVBAGLBSA-N 1 1 257.736 2.826 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000000218213 371560310 /nfs/dbraw/zinc/56/03/10/371560310.db2.gz YWHOQYBECZVTOL-SNVBAGLBSA-N 1 1 257.736 2.826 50 0 CFAAMO CCC[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000000217981 371561466 /nfs/dbraw/zinc/56/14/66/371561466.db2.gz UCXIMXZLKKUVOQ-UHFFFAOYSA-N 1 1 278.215 2.715 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000000237916 371563822 /nfs/dbraw/zinc/56/38/22/371563822.db2.gz ACXKBSSRVBDYHM-HNNXBMFYSA-N 1 1 261.365 2.770 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000000238043 371564244 /nfs/dbraw/zinc/56/42/44/371564244.db2.gz HAJJREGFCZYOOJ-CYBMUJFWSA-N 1 1 265.328 2.601 50 0 CFAAMO NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000279115 371575970 /nfs/dbraw/zinc/57/59/70/371575970.db2.gz PXJIGQKRWYJVRW-VIFPVBQESA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000279115 371575976 /nfs/dbraw/zinc/57/59/76/371575976.db2.gz PXJIGQKRWYJVRW-VIFPVBQESA-N 1 1 287.190 2.691 50 0 CFAAMO CCOc1c(C[NH2+]Cc2ccccn2)cccc1OC ZINC000000360480 371594528 /nfs/dbraw/zinc/59/45/28/371594528.db2.gz YITJWIVUMOWEBI-UHFFFAOYSA-N 1 1 272.348 2.779 50 0 CFAAMO O[C@H](CC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000001394505 371670099 /nfs/dbraw/zinc/67/00/99/371670099.db2.gz VLTAHNHVCYKZHV-QGZVFWFLSA-N 1 1 268.360 2.563 50 0 CFAAMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccco1 ZINC000000810249 371651166 /nfs/dbraw/zinc/65/11/66/371651166.db2.gz SGAIRJNRNSGQRC-UHFFFAOYSA-N 1 1 277.320 2.595 50 0 CFAAMO O[C@@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000002639152 371743629 /nfs/dbraw/zinc/74/36/29/371743629.db2.gz ZOLSBNMKZYHYDL-KRWDZBQOSA-N 1 1 253.345 2.778 50 0 CFAAMO C[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1 ZINC000003278414 371786603 /nfs/dbraw/zinc/78/66/03/371786603.db2.gz QANPNNXMGUPQSE-UHFFFAOYSA-N 1 1 280.371 2.708 50 0 CFAAMO C[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1 ZINC000003278414 371786610 /nfs/dbraw/zinc/78/66/10/371786610.db2.gz QANPNNXMGUPQSE-UHFFFAOYSA-N 1 1 280.371 2.708 50 0 CFAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000003564639 371810345 /nfs/dbraw/zinc/81/03/45/371810345.db2.gz OADYZQLRFVTJNE-CYBMUJFWSA-N 1 1 260.381 2.974 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)Cc2ccc(Cl)cc2)C1 ZINC000004552873 371864158 /nfs/dbraw/zinc/86/41/58/371864158.db2.gz SLPZHFWOQAOAOR-CYBMUJFWSA-N 1 1 267.756 2.520 50 0 CFAAMO COc1ccc(/[NH+]=c2/cc(C)nc3sccn32)cc1 ZINC000010386623 371907106 /nfs/dbraw/zinc/90/71/06/371907106.db2.gz TUGDYECWNPFHGG-SSZFMOIBSA-N 1 1 271.345 2.945 50 0 CFAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccoc2)C1)NC1CC1 ZINC000011843700 371931671 /nfs/dbraw/zinc/93/16/71/371931671.db2.gz HSJIEFVNPYZTFV-CYBMUJFWSA-N 1 1 276.380 2.550 50 0 CFAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](C/C=C/C(C)C)C1 ZINC000012467102 371965419 /nfs/dbraw/zinc/96/54/19/371965419.db2.gz FVJKUTXXNMJBAM-JKNJVXJCSA-N 1 1 297.439 2.880 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1nnc2ccccn21 ZINC000012857115 371990383 /nfs/dbraw/zinc/99/03/83/371990383.db2.gz ZRHHRBTUVIDUDX-LLVKDONJSA-N 1 1 270.311 2.719 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)NCc1ccco1 ZINC000012905567 371996020 /nfs/dbraw/zinc/99/60/20/371996020.db2.gz DMLUTXFSUFMHAK-INIZCTEOSA-N 1 1 298.386 2.603 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000012317793 371950656 /nfs/dbraw/zinc/95/06/56/371950656.db2.gz TXGNNQBTIYSKDR-CQSZACIVSA-N 1 1 274.343 2.625 50 0 CFAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000012317793 371950663 /nfs/dbraw/zinc/95/06/63/371950663.db2.gz TXGNNQBTIYSKDR-CQSZACIVSA-N 1 1 274.343 2.625 50 0 CFAAMO C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000012229979 371950773 /nfs/dbraw/zinc/95/07/73/371950773.db2.gz FJHFPZYBTJWYOD-UHFFFAOYSA-N 1 1 267.785 2.702 50 0 CFAAMO O=C1SCCN1C[NH+]1CCC(c2ccccc2)CC1 ZINC000012977182 372005630 /nfs/dbraw/zinc/00/56/30/372005630.db2.gz NBUBUGGICAAWDW-UHFFFAOYSA-N 1 1 276.405 2.992 50 0 CFAAMO Cc1ccc(COC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016578587 372110484 /nfs/dbraw/zinc/11/04/84/372110484.db2.gz CTVNKDWSXDCUMW-SOLBZPMBSA-N 1 1 291.435 2.850 50 0 CFAAMO CCCCc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000016602620 372111631 /nfs/dbraw/zinc/11/16/31/372111631.db2.gz FSIWCTVCTLUCKI-UHFFFAOYSA-N 1 1 274.408 2.807 50 0 CFAAMO CCC(CC)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016604143 372113055 /nfs/dbraw/zinc/11/30/55/372113055.db2.gz QCLSWBRIGBMZBU-UHFFFAOYSA-N 1 1 288.435 2.810 50 0 CFAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000016662608 372116758 /nfs/dbraw/zinc/11/67/58/372116758.db2.gz NJFPPZNECNORBX-QGZVFWFLSA-N 1 1 271.360 2.861 50 0 CFAAMO O[C@H]1/C(=C/c2cc3ccccc3o2)[NH+]2CCC1CC2 ZINC000015017089 372078879 /nfs/dbraw/zinc/07/88/79/372078879.db2.gz OEZRTOHMPGWJNS-SCOADAFUSA-N 1 1 255.317 2.860 50 0 CFAAMO [NH3+][C@H]1c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000016082913 372098542 /nfs/dbraw/zinc/09/85/42/372098542.db2.gz KZEMDGMUGFAPOZ-AWEZNQCLSA-N 1 1 272.735 2.887 50 0 CFAAMO CCCC12CN3CC(C)(C[N@H+](C1)C31CCCCC1)C2=O ZINC000019322277 372154969 /nfs/dbraw/zinc/15/49/69/372154969.db2.gz CMOACXVWIHSUTG-UHFFFAOYSA-N 1 1 276.424 2.654 50 0 CFAAMO CCCC12CN3CC(C)(C[N@@H+](C1)C31CCCCC1)C2=O ZINC000019322277 372154972 /nfs/dbraw/zinc/15/49/72/372154972.db2.gz CMOACXVWIHSUTG-UHFFFAOYSA-N 1 1 276.424 2.654 50 0 CFAAMO C[N@H+]1CCCN(Cc2ccc(Br)cc2)CC1 ZINC000019536278 372173084 /nfs/dbraw/zinc/17/30/84/372173084.db2.gz WQUWRVLHCKJAMG-UHFFFAOYSA-N 1 1 283.213 2.587 50 0 CFAAMO CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000019536478 372173199 /nfs/dbraw/zinc/17/31/99/372173199.db2.gz PXQOOTRIRRMNAK-UHFFFAOYSA-N 1 1 289.242 2.648 50 0 CFAAMO ClC1=CC[C@@H]2C[N@@H+](CCN3CCCCC3)C[C@@H]2C1 ZINC000020262778 372237147 /nfs/dbraw/zinc/23/71/47/372237147.db2.gz VBAVWASTSFNHBO-KGLIPLIRSA-N 1 1 268.832 2.937 50 0 CFAAMO ClC1=CC[C@@H]2CN(CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC000020262778 372237153 /nfs/dbraw/zinc/23/71/53/372237153.db2.gz VBAVWASTSFNHBO-KGLIPLIRSA-N 1 1 268.832 2.937 50 0 CFAAMO Cc1ccc(C)c(OCCC[NH+]2CCOCC2)c1C ZINC000019770632 372183748 /nfs/dbraw/zinc/18/37/48/372183748.db2.gz MMXYWLADFJCVMK-UHFFFAOYSA-N 1 1 263.381 2.713 50 0 CFAAMO C[C@H]([NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000019785481 372186436 /nfs/dbraw/zinc/18/64/36/372186436.db2.gz OITYJBPQIAURJW-LURJTMIESA-N 1 1 268.114 2.519 50 0 CFAAMO C[NH+]1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000019800251 372190183 /nfs/dbraw/zinc/19/01/83/372190183.db2.gz VBYQBEHBKXVKKI-UHFFFAOYSA-N 1 1 298.839 2.596 50 0 CFAAMO C[NH+]1CCN(Cc2ccccc2C(=O)C2CCCC2)CC1 ZINC000022028272 372244326 /nfs/dbraw/zinc/24/43/26/372244326.db2.gz QIRNMILPIGPLEX-UHFFFAOYSA-N 1 1 286.419 2.807 50 0 CFAAMO COc1ccc(C[NH+]2CCOCC2)c2ccccc12 ZINC000023281968 372256321 /nfs/dbraw/zinc/25/63/21/372256321.db2.gz NCTKQVMHRUJOBE-UHFFFAOYSA-N 1 1 257.333 2.681 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000023280919 372256544 /nfs/dbraw/zinc/25/65/44/372256544.db2.gz TUHUDOYDVMWEED-LBPRGKRZSA-N 1 1 289.297 2.790 50 0 CFAAMO CCCC[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000023991701 372269412 /nfs/dbraw/zinc/26/94/12/372269412.db2.gz LPDSBSYGYYJIGF-UHFFFAOYSA-N 1 1 261.321 2.731 50 0 CFAAMO C[C@H](CNC(=O)[C@@H]1CC=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025632479 372304976 /nfs/dbraw/zinc/30/49/76/372304976.db2.gz QLKATBRDSZLUFA-NVXWUHKLSA-N 1 1 298.430 2.906 50 0 CFAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccccn1 ZINC000025949799 372310469 /nfs/dbraw/zinc/31/04/69/372310469.db2.gz XGIPVSCGMKIUIU-KRWDZBQOSA-N 1 1 295.386 2.727 50 0 CFAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000026161641 372314048 /nfs/dbraw/zinc/31/40/48/372314048.db2.gz UFVHRDPNNDCPFW-IMJJTQAJSA-N 1 1 272.392 2.725 50 0 CFAAMO COc1ccc(-c2[nH+]c3c(C)cccn3c2N)cc1 ZINC000026420593 372320069 /nfs/dbraw/zinc/32/00/69/372320069.db2.gz DQGFNYHIWVQJKA-UHFFFAOYSA-N 1 1 253.305 2.901 50 0 CFAAMO Cc1ccc2nc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc(=O)n2c1 ZINC000027133535 372334305 /nfs/dbraw/zinc/33/43/05/372334305.db2.gz OUROPEJPFKZDNN-ZDUSSCGKSA-N 1 1 287.407 2.869 50 0 CFAAMO O=C1NCCCC[C@@H]1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000030007517 372389183 /nfs/dbraw/zinc/38/91/83/372389183.db2.gz HXIDKVWGDWDWKB-INIZCTEOSA-N 1 1 287.407 2.758 50 0 CFAAMO CC[N@H+](Cc1ccco1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000030275083 372392729 /nfs/dbraw/zinc/39/27/29/372392729.db2.gz SEVZEJJQBAJDAJ-UHFFFAOYSA-N 1 1 297.358 2.618 50 0 CFAAMO CC[N@@H+](Cc1ccco1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000030275083 372392732 /nfs/dbraw/zinc/39/27/32/372392732.db2.gz SEVZEJJQBAJDAJ-UHFFFAOYSA-N 1 1 297.358 2.618 50 0 CFAAMO COCC[N@H+](C)Cc1ccccc1Br ZINC000032917441 372476330 /nfs/dbraw/zinc/47/63/30/372476330.db2.gz JBQACUJJCAEOPQ-UHFFFAOYSA-N 1 1 258.159 2.527 50 0 CFAAMO COCC[N@@H+](C)Cc1ccccc1Br ZINC000032917441 372476331 /nfs/dbraw/zinc/47/63/31/372476331.db2.gz JBQACUJJCAEOPQ-UHFFFAOYSA-N 1 1 258.159 2.527 50 0 CFAAMO CC(C)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000032668204 372454133 /nfs/dbraw/zinc/45/41/33/372454133.db2.gz LHGSTNZIGCEWMU-CQSZACIVSA-N 1 1 260.381 2.548 50 0 CFAAMO C[N@@H+](Cc1cc(=O)n2ccccc2n1)C1CCCCCC1 ZINC000032858125 372470185 /nfs/dbraw/zinc/47/01/85/372470185.db2.gz LGPBKFRGOLQKFJ-UHFFFAOYSA-N 1 1 285.391 2.849 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COC1CCCC1 ZINC000035074990 372535662 /nfs/dbraw/zinc/53/56/62/372535662.db2.gz NEIQOMXRXOKOES-MJBXVCDLSA-N 1 1 255.402 2.569 50 0 CFAAMO Cn1cccc1C(=O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035018926 372530363 /nfs/dbraw/zinc/53/03/63/372530363.db2.gz NFNNGSVLJPULFU-ZIAGYGMSSA-N 1 1 260.381 2.720 50 0 CFAAMO O=C(c1ccccc1)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000036125726 372560724 /nfs/dbraw/zinc/56/07/24/372560724.db2.gz ZLMWQIDIMVCJCV-GOSISDBHSA-N 1 1 292.382 2.742 50 0 CFAAMO O=C(c1ccccc1)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000036125726 372560729 /nfs/dbraw/zinc/56/07/29/372560729.db2.gz ZLMWQIDIMVCJCV-GOSISDBHSA-N 1 1 292.382 2.742 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)/C=C/c2ccco2)cn1 ZINC000036394927 372578416 /nfs/dbraw/zinc/57/84/16/372578416.db2.gz NQWCOHMRSRNZCT-FNORWQNLSA-N 1 1 294.314 2.821 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccccc1F ZINC000042302840 372904695 /nfs/dbraw/zinc/90/46/95/372904695.db2.gz FSFZGMQSBSHPIZ-MNOVXSKESA-N 1 1 266.360 2.780 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)CC(C)C)cn1 ZINC000047385375 373089828 /nfs/dbraw/zinc/08/98/28/373089828.db2.gz VJMYGYUOZCKYOB-UHFFFAOYSA-N 1 1 258.325 2.560 50 0 CFAAMO NC(=O)c1cccc(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC000047461769 373096827 /nfs/dbraw/zinc/09/68/27/373096827.db2.gz NWMFZIOXGBEBFW-UHFFFAOYSA-N 1 1 270.332 2.543 50 0 CFAAMO NC(=O)c1cccc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC000047461769 373096839 /nfs/dbraw/zinc/09/68/39/373096839.db2.gz NWMFZIOXGBEBFW-UHFFFAOYSA-N 1 1 270.332 2.543 50 0 CFAAMO C[C@H]1c2cccn2CC[N@H+]1CCOc1ccccc1 ZINC000048355911 373169858 /nfs/dbraw/zinc/16/98/58/373169858.db2.gz YXKBRARBOZTCTK-AWEZNQCLSA-N 1 1 256.349 2.944 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1CCOc1ccccc1 ZINC000048355911 373169866 /nfs/dbraw/zinc/16/98/66/373169866.db2.gz YXKBRARBOZTCTK-AWEZNQCLSA-N 1 1 256.349 2.944 50 0 CFAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(N)=O)C1CC1 ZINC000049237347 373277865 /nfs/dbraw/zinc/27/78/65/373277865.db2.gz JQCPEWQJKSDGDO-VIFPVBQESA-N 1 1 286.297 2.716 50 0 CFAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(N)=O)C1CC1 ZINC000049237347 373277872 /nfs/dbraw/zinc/27/78/72/373277872.db2.gz JQCPEWQJKSDGDO-VIFPVBQESA-N 1 1 286.297 2.716 50 0 CFAAMO c1csc(-c2noc(C3C[NH+](Cc4ccccn4)C3)n2)c1 ZINC000049484701 373303378 /nfs/dbraw/zinc/30/33/78/373303378.db2.gz HOPCYTSKZHAZSQ-UHFFFAOYSA-N 1 1 298.371 2.793 50 0 CFAAMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000049516779 373306913 /nfs/dbraw/zinc/30/69/13/373306913.db2.gz DMZUHXNUIXORJL-CQSZACIVSA-N 1 1 275.396 2.848 50 0 CFAAMO Cc1cccc(C2(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000053055455 373462741 /nfs/dbraw/zinc/46/27/41/373462741.db2.gz YBMDOAUFRURFGB-DLBZAZTESA-N 1 1 298.430 2.770 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000054226649 373505947 /nfs/dbraw/zinc/50/59/47/373505947.db2.gz MICYARTYKFLPHK-YOEHRIQHSA-N 1 1 295.386 2.647 50 0 CFAAMO CC[C@@H](C)[N@@H+](Cc1ccncc1)Cc1cnc(OC)nc1 ZINC000055414198 373551876 /nfs/dbraw/zinc/55/18/76/373551876.db2.gz WYNSBBWBBAEZPH-CYBMUJFWSA-N 1 1 286.379 2.681 50 0 CFAAMO COCC[N@H+](C/C=C/c1ccccc1)Cc1[nH]cnc1C ZINC000055403104 373552102 /nfs/dbraw/zinc/55/21/02/373552102.db2.gz DICAHTULPYNNHS-RMKNXTFCSA-N 1 1 285.391 2.880 50 0 CFAAMO COCC[N@@H+](C/C=C/c1ccccc1)Cc1[nH]cnc1C ZINC000055403104 373552106 /nfs/dbraw/zinc/55/21/06/373552106.db2.gz DICAHTULPYNNHS-RMKNXTFCSA-N 1 1 285.391 2.880 50 0 CFAAMO CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000058424133 373657131 /nfs/dbraw/zinc/65/71/31/373657131.db2.gz LFDIQXNWYYONHD-HOTGVXAUSA-N 1 1 277.408 2.652 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1 ZINC000058309190 373644786 /nfs/dbraw/zinc/64/47/86/373644786.db2.gz OHUWUSGMFUDOFW-UHFFFAOYSA-N 1 1 272.392 2.559 50 0 CFAAMO COc1c(C[NH2+][C@H](C)c2cc(C)oc2C)c(C)nn1C ZINC000058308585 373644978 /nfs/dbraw/zinc/64/49/78/373644978.db2.gz GHLNFRGZAGWXIZ-SNVBAGLBSA-N 1 1 277.368 2.798 50 0 CFAAMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000058524022 373660748 /nfs/dbraw/zinc/66/07/48/373660748.db2.gz HBNDWULGNINPDI-SJORKVTESA-N 1 1 286.419 2.923 50 0 CFAAMO COCCC[N@@H+](C)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000059487491 373680398 /nfs/dbraw/zinc/68/03/98/373680398.db2.gz CXBIKNOJKYZTCZ-ZDUSSCGKSA-N 1 1 291.313 2.707 50 0 CFAAMO C[N@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCCCO1 ZINC000065496211 373880226 /nfs/dbraw/zinc/88/02/26/373880226.db2.gz KRNYZATUBJQHKX-AWEZNQCLSA-N 1 1 291.420 2.935 50 0 CFAAMO COCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065513985 373881403 /nfs/dbraw/zinc/88/14/03/373881403.db2.gz MRYWHGKILUUQSC-UHFFFAOYSA-N 1 1 291.370 2.727 50 0 CFAAMO O=C([C@@H]1CCCc2ccccc21)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065595910 373891121 /nfs/dbraw/zinc/89/11/21/373891121.db2.gz WOKFBZXQLBMJOX-SJLPKXTDSA-N 1 1 298.430 2.803 50 0 CFAAMO Fc1ccc(OCCCN2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000065622511 373896170 /nfs/dbraw/zinc/89/61/70/373896170.db2.gz GFLQFFCNZFWXBM-MRXNPFEDSA-N 1 1 292.398 2.765 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)s1 ZINC000065286709 373852932 /nfs/dbraw/zinc/85/29/32/373852932.db2.gz COJFNBIVIKXDRG-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)s1 ZINC000065286709 373852936 /nfs/dbraw/zinc/85/29/36/373852936.db2.gz COJFNBIVIKXDRG-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)s1 ZINC000065286709 373852940 /nfs/dbraw/zinc/85/29/40/373852940.db2.gz COJFNBIVIKXDRG-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000065286709 373852944 /nfs/dbraw/zinc/85/29/44/373852944.db2.gz COJFNBIVIKXDRG-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000065286709 373852954 /nfs/dbraw/zinc/85/29/54/373852954.db2.gz COJFNBIVIKXDRG-GFCCVEGCSA-N 1 1 276.409 2.863 50 0 CFAAMO Cc1csc(C[N@H+](C)CCOc2ccccc2)n1 ZINC000065384396 373860833 /nfs/dbraw/zinc/86/08/33/373860833.db2.gz CAMJXJIQLUUNJS-UHFFFAOYSA-N 1 1 262.378 2.962 50 0 CFAAMO Cc1csc(C[N@@H+](C)CCOc2ccccc2)n1 ZINC000065384396 373860840 /nfs/dbraw/zinc/86/08/40/373860840.db2.gz CAMJXJIQLUUNJS-UHFFFAOYSA-N 1 1 262.378 2.962 50 0 CFAAMO CC[N@H+](Cc1c(C)nn(C)c1Cl)CC1CCOCC1 ZINC000065387745 373864121 /nfs/dbraw/zinc/86/41/21/373864121.db2.gz KBUANDPNLSRYAB-UHFFFAOYSA-N 1 1 285.819 2.630 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC000065394656 373864465 /nfs/dbraw/zinc/86/44/65/373864465.db2.gz OIJVOKCOYPVZHI-CYBMUJFWSA-N 1 1 266.385 2.928 50 0 CFAAMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc2nonc21 ZINC000065405251 373866551 /nfs/dbraw/zinc/86/65/51/373866551.db2.gz IJIWEBKXHXHXLQ-LLVKDONJSA-N 1 1 268.320 2.811 50 0 CFAAMO CCc1nc(N[C@@H](CC)c2ccnn2C)cc(C)[nH+]1 ZINC000065435882 373873220 /nfs/dbraw/zinc/87/32/20/373873220.db2.gz RPRNNCBZIIJJCM-NSHDSACASA-N 1 1 259.357 2.644 50 0 CFAAMO Cc1ccsc1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000065466915 373875290 /nfs/dbraw/zinc/87/52/90/373875290.db2.gz XMRZOCJAIOBCOM-CQSZACIVSA-N 1 1 294.464 2.980 50 0 CFAAMO Cc1cccc2[nH]c(C3CC[NH+](Cc4ncc[nH]4)CC3)nc21 ZINC000065457837 373875658 /nfs/dbraw/zinc/87/56/58/373875658.db2.gz QNWSGWZJFGXHDV-UHFFFAOYSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000065459187 373875976 /nfs/dbraw/zinc/87/59/76/373875976.db2.gz HPNGTHPBRARDOO-UHFFFAOYSA-N 1 1 288.370 2.616 50 0 CFAAMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C1CC1 ZINC000065473364 373876050 /nfs/dbraw/zinc/87/60/50/373876050.db2.gz WUKZGNWMPGUTLC-ZDUSSCGKSA-N 1 1 278.421 2.678 50 0 CFAAMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C)C(C)C)cc2c1 ZINC000067692092 373994718 /nfs/dbraw/zinc/99/47/18/373994718.db2.gz ANUOXMDSMRLRSO-UHFFFAOYSA-N 1 1 274.364 2.767 50 0 CFAAMO CCn1c[nH+]cc1Cn1ccnc1-c1ccc(O)c(OC)c1 ZINC000067724126 373996265 /nfs/dbraw/zinc/99/62/65/373996265.db2.gz BFITYEAHVDUIOV-UHFFFAOYSA-N 1 1 298.346 2.529 50 0 CFAAMO Cc1ccc(-c2nccn2CC[C@H]2CCC[N@@H+]2C)o1 ZINC000067785953 374001637 /nfs/dbraw/zinc/00/16/37/374001637.db2.gz DSYONZZXIQDFQU-CYBMUJFWSA-N 1 1 259.353 2.936 50 0 CFAAMO C[N@@H+]1CCC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC000067885232 374012309 /nfs/dbraw/zinc/01/23/09/374012309.db2.gz QCFLJPRMIBSAJN-UHFFFAOYSA-N 1 1 279.815 2.653 50 0 CFAAMO C[N@H+]1CCC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC000067885232 374012316 /nfs/dbraw/zinc/01/23/16/374012316.db2.gz QCFLJPRMIBSAJN-UHFFFAOYSA-N 1 1 279.815 2.653 50 0 CFAAMO Cc1nc[nH]c1C[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000067966653 374018544 /nfs/dbraw/zinc/01/85/44/374018544.db2.gz IOVDNQIQBFQLHV-UHFFFAOYSA-N 1 1 281.363 2.740 50 0 CFAAMO Cc1nc[nH]c1C[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000067966653 374018554 /nfs/dbraw/zinc/01/85/54/374018554.db2.gz IOVDNQIQBFQLHV-UHFFFAOYSA-N 1 1 281.363 2.740 50 0 CFAAMO CCCCN(CCCC)C(=O)C1=CCC[N@@H+](C)C1 ZINC000067340261 373976878 /nfs/dbraw/zinc/97/68/78/373976878.db2.gz ZDVCTWMAIPFLFG-UHFFFAOYSA-N 1 1 252.402 2.677 50 0 CFAAMO CN(Cc1ccsc1)C(=O)CC[N@H+]1C[C@@H]2CC[C@H]1C2 ZINC000067459040 373978557 /nfs/dbraw/zinc/97/85/57/373978557.db2.gz IPMGOYWIOZLXME-OCCSQVGLSA-N 1 1 278.421 2.581 50 0 CFAAMO CC(C)c1nc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000067490391 373981773 /nfs/dbraw/zinc/98/17/73/373981773.db2.gz SPVWAJFIBDAIPM-GFCCVEGCSA-N 1 1 295.452 2.728 50 0 CFAAMO CCCc1nc(N2CCC[C@@H](c3cc[nH]n3)C2)cc(C)[nH+]1 ZINC000067688532 373992604 /nfs/dbraw/zinc/99/26/04/373992604.db2.gz OETCZACPJJRAST-CYBMUJFWSA-N 1 1 285.395 2.845 50 0 CFAAMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000069597294 374078795 /nfs/dbraw/zinc/07/87/95/374078795.db2.gz LEBYHMRFHRPOSR-OAHLLOKOSA-N 1 1 297.402 2.699 50 0 CFAAMO CCCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069598481 374079355 /nfs/dbraw/zinc/07/93/55/374079355.db2.gz JXCQZWLPAWVAEA-MRXNPFEDSA-N 1 1 289.423 2.743 50 0 CFAAMO CCCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069598481 374079363 /nfs/dbraw/zinc/07/93/63/374079363.db2.gz JXCQZWLPAWVAEA-MRXNPFEDSA-N 1 1 289.423 2.743 50 0 CFAAMO Fc1ccccc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000069290042 374054413 /nfs/dbraw/zinc/05/44/13/374054413.db2.gz WSHYGMJLVMZYON-AWEZNQCLSA-N 1 1 265.328 2.553 50 0 CFAAMO Fc1ccccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000069290042 374054425 /nfs/dbraw/zinc/05/44/25/374054425.db2.gz WSHYGMJLVMZYON-AWEZNQCLSA-N 1 1 265.328 2.553 50 0 CFAAMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H]1CCCO1 ZINC000069350399 374055755 /nfs/dbraw/zinc/05/57/55/374055755.db2.gz IPIPVJCNMGUOPS-NSHDSACASA-N 1 1 262.378 2.907 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H]1CCCO1 ZINC000069350399 374055763 /nfs/dbraw/zinc/05/57/63/374055763.db2.gz IPIPVJCNMGUOPS-NSHDSACASA-N 1 1 262.378 2.907 50 0 CFAAMO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069416221 374060024 /nfs/dbraw/zinc/06/00/24/374060024.db2.gz OFZKNLACSBIPCF-HOCLYGCPSA-N 1 1 274.408 2.637 50 0 CFAAMO Cc1oc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1C ZINC000069659060 374082872 /nfs/dbraw/zinc/08/28/72/374082872.db2.gz VUPLHOKAFFESSJ-GJZGRUSLSA-N 1 1 290.407 2.904 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccco1 ZINC000069901901 374109165 /nfs/dbraw/zinc/10/91/65/374109165.db2.gz PKSJFPMRHJWCKP-CVEARBPZSA-N 1 1 290.407 2.688 50 0 CFAAMO COCCN1CC[N@H+]([C@@H](C)CCc2ccccc2)C[C@H]1C ZINC000069976741 374114711 /nfs/dbraw/zinc/11/47/11/374114711.db2.gz WVOWAMIWMAHPIN-DLBZAZTESA-N 1 1 290.451 2.660 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069709482 374089544 /nfs/dbraw/zinc/08/95/44/374089544.db2.gz WSMPWDFCLKOMTB-MNOVXSKESA-N 1 1 282.771 2.632 50 0 CFAAMO CC(C)[N@H+](Cc1cc(F)cc2cccnc21)C[C@@H](C)O ZINC000069808387 374098553 /nfs/dbraw/zinc/09/85/53/374098553.db2.gz HAUAXCXMDRBBLE-GFCCVEGCSA-N 1 1 276.355 2.965 50 0 CFAAMO CCCn1nnnc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000069812295 374099934 /nfs/dbraw/zinc/09/99/34/374099934.db2.gz RWAWRQCBBCMIIB-INIZCTEOSA-N 1 1 285.395 2.714 50 0 CFAAMO CCc1ccc(C[N@H+](C)CN2C(=O)C[C@@H](C)[C@H]2C)cc1 ZINC000072312369 374244370 /nfs/dbraw/zinc/24/43/70/374244370.db2.gz OXJLGRMMURWXKF-ZIAGYGMSSA-N 1 1 274.408 2.895 50 0 CFAAMO CCc1ccc(C[N@@H+](C)CN2C(=O)C[C@@H](C)[C@H]2C)cc1 ZINC000072312369 374244376 /nfs/dbraw/zinc/24/43/76/374244376.db2.gz OXJLGRMMURWXKF-ZIAGYGMSSA-N 1 1 274.408 2.895 50 0 CFAAMO CC(C)[N@@H+](C)CC(=O)Nc1cc(-c2ccccc2)on1 ZINC000075093001 374455849 /nfs/dbraw/zinc/45/58/49/374455849.db2.gz UCRMIJCKFRMJLK-UHFFFAOYSA-N 1 1 273.336 2.620 50 0 CFAAMO Cc1cc(C[N@H+]2CCCC[C@H]2Cn2nc(C)cc2C)on1 ZINC000075131848 374460207 /nfs/dbraw/zinc/46/02/07/374460207.db2.gz HEXCVGDFXHTBAO-HNNXBMFYSA-N 1 1 288.395 2.851 50 0 CFAAMO CC1(C)CC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000076012499 374520305 /nfs/dbraw/zinc/52/03/05/374520305.db2.gz CSJQPNRKFMRGSW-AWEZNQCLSA-N 1 1 274.364 2.744 50 0 CFAAMO C[C@@H](c1ccccc1)[N@@H+](CCS(C)(=O)=O)CC1CCC1 ZINC000076019817 374521260 /nfs/dbraw/zinc/52/12/60/374521260.db2.gz YLDYVDKLESUXEV-AWEZNQCLSA-N 1 1 295.448 2.894 50 0 CFAAMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947870 374576394 /nfs/dbraw/zinc/57/63/94/374576394.db2.gz HKULEZPUFWSDOV-KBPBESRZSA-N 1 1 265.426 2.891 50 0 CFAAMO CC(C)NC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000078947812 374576960 /nfs/dbraw/zinc/57/69/60/374576960.db2.gz DBIHKCFONIKANW-CQSZACIVSA-N 1 1 292.448 2.625 50 0 CFAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947874 374577433 /nfs/dbraw/zinc/57/74/33/374577433.db2.gz HKULEZPUFWSDOV-ZIAGYGMSSA-N 1 1 265.426 2.891 50 0 CFAAMO CN(CC[N@@H+](C)Cc1ccccn1)c1ccccc1 ZINC000083860885 374758515 /nfs/dbraw/zinc/75/85/15/374758515.db2.gz SCIZVFYNFBMQKT-UHFFFAOYSA-N 1 1 255.365 2.650 50 0 CFAAMO COCCC[N@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082108840 374726013 /nfs/dbraw/zinc/72/60/13/374726013.db2.gz QRXLQZWQGOFOMY-OAHLLOKOSA-N 1 1 277.412 2.509 50 0 CFAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCC(F)(F)C(F)F)C1 ZINC000082126035 374728271 /nfs/dbraw/zinc/72/82/71/374728271.db2.gz HOKGVTQSOWWBDJ-SNVBAGLBSA-N 1 1 293.308 2.890 50 0 CFAAMO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1nnc2n1CCCC2 ZINC000084668006 374787126 /nfs/dbraw/zinc/78/71/26/374787126.db2.gz XYXCALWSNJGFKH-GFCCVEGCSA-N 1 1 295.390 2.947 50 0 CFAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1)NC1CC1 ZINC000088536833 374850621 /nfs/dbraw/zinc/85/06/21/374850621.db2.gz NMGDZQGPKDIHHF-SFHVURJKSA-N 1 1 298.361 2.783 50 0 CFAAMO CSCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000089920968 374968851 /nfs/dbraw/zinc/96/88/51/374968851.db2.gz NOWDCKPOABRYIJ-UHFFFAOYSA-N 1 1 261.394 2.872 50 0 CFAAMO CSCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000089920968 374968853 /nfs/dbraw/zinc/96/88/53/374968853.db2.gz NOWDCKPOABRYIJ-UHFFFAOYSA-N 1 1 261.394 2.872 50 0 CFAAMO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccn[nH]1 ZINC000089904212 374966862 /nfs/dbraw/zinc/96/68/62/374966862.db2.gz WHSVCBHPKADUCG-JTQLQIEISA-N 1 1 294.196 2.893 50 0 CFAAMO C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000089938676 374971878 /nfs/dbraw/zinc/97/18/78/374971878.db2.gz HULHJXZUEGRJGY-CHWSQXEVSA-N 1 1 271.813 2.811 50 0 CFAAMO Fc1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)ccc1Cl ZINC000093646450 375284013 /nfs/dbraw/zinc/28/40/13/375284013.db2.gz GMWARVCDRFZNAB-UHFFFAOYSA-N 1 1 294.761 2.977 50 0 CFAAMO COc1c(C[N@@H+](C)[C@@H](C)Cc2cccs2)c(C)nn1C ZINC000093706062 375303094 /nfs/dbraw/zinc/30/30/94/375303094.db2.gz FLGRXKOKDMFDSH-NSHDSACASA-N 1 1 293.436 2.862 50 0 CFAAMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093899040 375329679 /nfs/dbraw/zinc/32/96/79/375329679.db2.gz MHOSDNLVGJAAJO-CQSZACIVSA-N 1 1 297.402 2.563 50 0 CFAAMO C[C@]1(c2ccccc2)CCCN(c2cc(N)[nH+]cn2)C1 ZINC000095529394 375461182 /nfs/dbraw/zinc/46/11/82/375461182.db2.gz CNFSEILQKGKEBD-INIZCTEOSA-N 1 1 268.364 2.617 50 0 CFAAMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCc2c1cccc2Cl ZINC000095978588 375464668 /nfs/dbraw/zinc/46/46/68/375464668.db2.gz IENZIGAQRKXAJD-CQSZACIVSA-N 1 1 278.783 2.538 50 0 CFAAMO CC(C)CO[C@H]1C[C@@H]([N@@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009225 375466664 /nfs/dbraw/zinc/46/66/64/375466664.db2.gz QEYALEIOZVTYGS-CABCVRRESA-N 1 1 296.455 2.556 50 0 CFAAMO Cc1ccc(C(=O)c2c(N)sc3c2CC[N@@H+](C)C3)cc1 ZINC000095348284 375417529 /nfs/dbraw/zinc/41/75/29/375417529.db2.gz FRYXXTKUOJDUSQ-UHFFFAOYSA-N 1 1 286.400 2.858 50 0 CFAAMO Cc1ccc(C(=O)c2c(N)sc3c2CC[N@H+](C)C3)cc1 ZINC000095348284 375417536 /nfs/dbraw/zinc/41/75/36/375417536.db2.gz FRYXXTKUOJDUSQ-UHFFFAOYSA-N 1 1 286.400 2.858 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCn1ccc2ccccc2c1=O ZINC000095357866 375419459 /nfs/dbraw/zinc/41/94/59/375419459.db2.gz CGRWTTHZEBXZPW-OAHLLOKOSA-N 1 1 270.376 2.876 50 0 CFAAMO COCCC[N@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095359297 375419640 /nfs/dbraw/zinc/41/96/40/375419640.db2.gz MBFUOROPAUDQLO-MRXNPFEDSA-N 1 1 291.439 2.899 50 0 CFAAMO Cc1cnc(NCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000095359756 375419968 /nfs/dbraw/zinc/41/99/68/375419968.db2.gz QHTYRYHPVYJJGE-LSDHHAIUSA-N 1 1 274.412 2.852 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCn1sc2ccccc2c1=O ZINC000095367732 375421291 /nfs/dbraw/zinc/42/12/91/375421291.db2.gz NCZJNUUEPTZSLN-GFCCVEGCSA-N 1 1 276.405 2.937 50 0 CFAAMO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCc2nc[nH]c2C1 ZINC000095388074 375429285 /nfs/dbraw/zinc/42/92/85/375429285.db2.gz CWTCDHPXXZBULR-CYBMUJFWSA-N 1 1 279.428 2.735 50 0 CFAAMO c1cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)ccn1 ZINC000095402432 375431828 /nfs/dbraw/zinc/43/18/28/375431828.db2.gz MVVHUTTXSPMCHL-CQSZACIVSA-N 1 1 284.363 2.722 50 0 CFAAMO OCCCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000095398404 375432171 /nfs/dbraw/zinc/43/21/71/375432171.db2.gz NYVXIFSNACKSHH-OAHLLOKOSA-N 1 1 265.422 2.939 50 0 CFAAMO C[NH+]1CCN(CCc2ccc(NCC(C)(C)C)cc2)CC1 ZINC000095428794 375445467 /nfs/dbraw/zinc/44/54/67/375445467.db2.gz KNSXPZALNIHHSN-UHFFFAOYSA-N 1 1 289.467 2.935 50 0 CFAAMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccn(C)n1 ZINC000095451567 375454932 /nfs/dbraw/zinc/45/49/32/375454932.db2.gz HUHXIBOZASTYBD-MRXNPFEDSA-N 1 1 285.391 2.636 50 0 CFAAMO Cc1cccc(NCCOc2ccc3c(c2)CCC(=O)N3)[nH+]1 ZINC000097163261 375535123 /nfs/dbraw/zinc/53/51/23/375535123.db2.gz TZSWDEDDQBTKAF-UHFFFAOYSA-N 1 1 297.358 2.766 50 0 CFAAMO Cc1ccc(NC[C@H]2CC[N@H+](CCOC(C)C)C2)nc1 ZINC000097200782 375538240 /nfs/dbraw/zinc/53/82/40/375538240.db2.gz UDAHHPXCXOLRPG-OAHLLOKOSA-N 1 1 277.412 2.549 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1ccccc1 ZINC000096401601 375485599 /nfs/dbraw/zinc/48/55/99/375485599.db2.gz HXCVEZBIHDIILG-WOLCWHLNSA-N 1 1 272.392 2.690 50 0 CFAAMO CCCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000096319253 375485697 /nfs/dbraw/zinc/48/56/97/375485697.db2.gz OTARPNHZLXRNCP-CQSZACIVSA-N 1 1 290.407 2.690 50 0 CFAAMO CCn1cc(C(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cn1 ZINC000097046230 375501143 /nfs/dbraw/zinc/50/11/43/375501143.db2.gz GXNVYDHCFDAONE-UHFFFAOYSA-N 1 1 298.390 2.879 50 0 CFAAMO CCn1cc(C(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cn1 ZINC000097046230 375501147 /nfs/dbraw/zinc/50/11/47/375501147.db2.gz GXNVYDHCFDAONE-UHFFFAOYSA-N 1 1 298.390 2.879 50 0 CFAAMO Cc1csc(CNc2cccnc2-n2cc[nH+]c2C)n1 ZINC000097047059 375501284 /nfs/dbraw/zinc/50/12/84/375501284.db2.gz HIACVJGEEQDBGQ-UHFFFAOYSA-N 1 1 285.376 2.953 50 0 CFAAMO CCc1nn(C)cc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000097058781 375506125 /nfs/dbraw/zinc/50/61/25/375506125.db2.gz WEVYJCYOBIYTQL-GFCCVEGCSA-N 1 1 258.369 2.571 50 0 CFAAMO CCc1nn(C)cc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000097058781 375506131 /nfs/dbraw/zinc/50/61/31/375506131.db2.gz WEVYJCYOBIYTQL-GFCCVEGCSA-N 1 1 258.369 2.571 50 0 CFAAMO COc1cccc([C@H]2CN(c3cccc(C)[nH+]3)CCO2)c1 ZINC000097096640 375516251 /nfs/dbraw/zinc/51/62/51/375516251.db2.gz JUAMGMOCUYDROE-MRXNPFEDSA-N 1 1 284.359 2.977 50 0 CFAAMO Cc1cccc(N2CCC(OC[C@H]3CCCO3)CC2)[nH+]1 ZINC000097096600 375516634 /nfs/dbraw/zinc/51/66/34/375516634.db2.gz HIIFSHTYBLQFEO-OAHLLOKOSA-N 1 1 276.380 2.554 50 0 CFAAMO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000097101727 375518125 /nfs/dbraw/zinc/51/81/25/375518125.db2.gz VPYATQONFUMORV-NXEZZACHSA-N 1 1 288.317 2.893 50 0 CFAAMO CCc1nnc(C[NH2+][C@H](C)c2cc(C)sc2C)n1C ZINC000097109687 375521361 /nfs/dbraw/zinc/52/13/61/375521361.db2.gz OEJFCTKSKSOCNP-SNVBAGLBSA-N 1 1 278.425 2.907 50 0 CFAAMO CCn1cc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cn1 ZINC000097108640 375522159 /nfs/dbraw/zinc/52/21/59/375522159.db2.gz HTKBMWOAWHRBBI-MRXNPFEDSA-N 1 1 289.354 2.695 50 0 CFAAMO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccccn2)cc1 ZINC000097113796 375524953 /nfs/dbraw/zinc/52/49/53/375524953.db2.gz NQOVOBYJCJBNNK-UHFFFAOYSA-N 1 1 269.348 2.672 50 0 CFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000097137216 375527516 /nfs/dbraw/zinc/52/75/16/375527516.db2.gz UAASVHRPSDPTAR-NSHDSACASA-N 1 1 277.318 2.818 50 0 CFAAMO COCCN(C)CCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000097287848 375548026 /nfs/dbraw/zinc/54/80/26/375548026.db2.gz TZOQHHNGODUBDG-UHFFFAOYSA-N 1 1 278.440 2.868 50 0 CFAAMO COc1cc(C[NH+]2CCC(c3ncon3)CC2)ccc1F ZINC000097334304 375549725 /nfs/dbraw/zinc/54/97/25/375549725.db2.gz SXOCBJMPGUOFCV-UHFFFAOYSA-N 1 1 291.326 2.597 50 0 CFAAMO Cc1cc(C)n2c(C[N@@H+](C)[C@@H](C)c3ccccn3)cnc2n1 ZINC000097375251 375553040 /nfs/dbraw/zinc/55/30/40/375553040.db2.gz GELKCZYPBPLGBQ-AWEZNQCLSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cc(C)n2c(C[N@H+](C)[C@@H](C)c3ccccn3)cnc2n1 ZINC000097375251 375553043 /nfs/dbraw/zinc/55/30/43/375553043.db2.gz GELKCZYPBPLGBQ-AWEZNQCLSA-N 1 1 295.390 2.934 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000097372973 375553134 /nfs/dbraw/zinc/55/31/34/375553134.db2.gz FOYAKIPCQDYRNE-MGPQQGTHSA-N 1 1 262.401 2.778 50 0 CFAAMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000097378397 375556380 /nfs/dbraw/zinc/55/63/80/375556380.db2.gz XJUSOHYGKSKFPW-GFCCVEGCSA-N 1 1 277.393 2.615 50 0 CFAAMO COc1ccc(/C=C/CN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000097604253 375573614 /nfs/dbraw/zinc/57/36/14/375573614.db2.gz MPHLFUHUEFAJJY-RTZWDOBSSA-N 1 1 286.419 2.879 50 0 CFAAMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CCCO ZINC000129166005 377393778 /nfs/dbraw/zinc/39/37/78/377393778.db2.gz YDNTWOZFBUTTTN-OAHLLOKOSA-N 1 1 251.345 2.871 50 0 CFAAMO COC(=O)CC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000130954127 377637434 /nfs/dbraw/zinc/63/74/34/377637434.db2.gz KRRPPPAONMUOLR-LBPRGKRZSA-N 1 1 251.326 2.678 50 0 CFAAMO Cc1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)oc1C ZINC000132552498 377851734 /nfs/dbraw/zinc/85/17/34/377851734.db2.gz RNOPJYSCGXWOFP-LLVKDONJSA-N 1 1 252.358 2.727 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@H+](CCO)C1CCN(C)CC1 ZINC000136133732 378182412 /nfs/dbraw/zinc/18/24/12/378182412.db2.gz DELIBNIERUJNFN-UHFFFAOYSA-N 1 1 296.842 2.537 50 0 CFAAMO Cc1cc(Cl)ccc1CN(CCO)C1CC[NH+](C)CC1 ZINC000136133732 378182418 /nfs/dbraw/zinc/18/24/18/378182418.db2.gz DELIBNIERUJNFN-UHFFFAOYSA-N 1 1 296.842 2.537 50 0 CFAAMO Cc1cccc(OCCc2noc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000169676518 379107008 /nfs/dbraw/zinc/10/70/08/379107008.db2.gz GHLWYWYXBMOBKM-AWEZNQCLSA-N 1 1 287.363 2.814 50 0 CFAAMO c1ccc(COCCc2noc([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000169676512 379107147 /nfs/dbraw/zinc/10/71/47/379107147.db2.gz JMRSAYSGYNBOCM-AWEZNQCLSA-N 1 1 287.363 2.644 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc2cc(Br)ccc2[nH]1 ZINC000170078369 379115328 /nfs/dbraw/zinc/11/53/28/379115328.db2.gz WQINNYVABZELLW-UHFFFAOYSA-N 1 1 291.152 2.879 50 0 CFAAMO c1nc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cs1 ZINC000172556326 379596098 /nfs/dbraw/zinc/59/60/98/379596098.db2.gz YTEBMJLVPWQMJG-LBPRGKRZSA-N 1 1 299.403 2.565 50 0 CFAAMO c1nc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cs1 ZINC000172556326 379596105 /nfs/dbraw/zinc/59/61/05/379596105.db2.gz YTEBMJLVPWQMJG-LBPRGKRZSA-N 1 1 299.403 2.565 50 0 CFAAMO Cc1cccc(CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000645778890 383744309 /nfs/dbraw/zinc/74/43/09/383744309.db2.gz KRVBWTQAUDLZGN-AWEZNQCLSA-N 1 1 270.380 2.535 50 0 CFAAMO Cc1cccc(CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)n1 ZINC000645778890 383744316 /nfs/dbraw/zinc/74/43/16/383744316.db2.gz KRVBWTQAUDLZGN-AWEZNQCLSA-N 1 1 270.380 2.535 50 0 CFAAMO COCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000408522748 380939589 /nfs/dbraw/zinc/93/95/89/380939589.db2.gz CXQUQNWFKRFREK-WKILWMFISA-N 1 1 293.407 2.534 50 0 CFAAMO CC(C)[N@H+]1CCOc2ccc([C@@H](O)c3ccncc3)cc2C1 ZINC000299768801 382044324 /nfs/dbraw/zinc/04/43/24/382044324.db2.gz KOFWCMTVMFXCRH-SFHVURJKSA-N 1 1 298.386 2.766 50 0 CFAAMO CC[N@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000299759366 382044845 /nfs/dbraw/zinc/04/48/45/382044845.db2.gz GQZRWWMJMIUQQD-OAHLLOKOSA-N 1 1 263.381 2.980 50 0 CFAAMO COc1ccc2[nH]c(SC[C@@H]3CC[N@@H+](C)C3)nc2c1 ZINC000187651583 382236874 /nfs/dbraw/zinc/23/68/74/382236874.db2.gz DPFJSAMGAKPTIQ-SNVBAGLBSA-N 1 1 277.393 2.615 50 0 CFAAMO COc1ccc2nc(SC[C@@H]3CC[N@H+](C)C3)[nH]c2c1 ZINC000187651583 382236883 /nfs/dbraw/zinc/23/68/83/382236883.db2.gz DPFJSAMGAKPTIQ-SNVBAGLBSA-N 1 1 277.393 2.615 50 0 CFAAMO COc1ccc2nc(SC[C@@H]3CC[N@@H+](C)C3)[nH]c2c1 ZINC000187651583 382236890 /nfs/dbraw/zinc/23/68/90/382236890.db2.gz DPFJSAMGAKPTIQ-SNVBAGLBSA-N 1 1 277.393 2.615 50 0 CFAAMO FC(F)C(F)(F)COCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000188781368 382476419 /nfs/dbraw/zinc/47/64/19/382476419.db2.gz BHLDTCQWVUTMIX-QWRGUYRKSA-N 1 1 299.308 2.547 50 0 CFAAMO FC(F)C(F)(F)COCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000188781368 382476423 /nfs/dbraw/zinc/47/64/23/382476423.db2.gz BHLDTCQWVUTMIX-QWRGUYRKSA-N 1 1 299.308 2.547 50 0 CFAAMO COC(=O)CCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000328597181 382551842 /nfs/dbraw/zinc/55/18/42/382551842.db2.gz FHBUVBMGEZCIKM-TZMCWYRMSA-N 1 1 297.420 2.853 50 0 CFAAMO COC(=O)CCCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000328597181 382551843 /nfs/dbraw/zinc/55/18/43/382551843.db2.gz FHBUVBMGEZCIKM-TZMCWYRMSA-N 1 1 297.420 2.853 50 0 CFAAMO CCc1ccccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000189435012 382608119 /nfs/dbraw/zinc/60/81/19/382608119.db2.gz RUHNTQGPRKJQTP-UHFFFAOYSA-N 1 1 289.419 2.878 50 0 CFAAMO C[C@H](O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000192709016 382711274 /nfs/dbraw/zinc/71/12/74/382711274.db2.gz JHGSRRKEWKZIDG-ZDUSSCGKSA-N 1 1 275.392 2.747 50 0 CFAAMO C[N@@H+](CCSCN1CCCCC1=O)Cc1ccccc1 ZINC000193624139 382721688 /nfs/dbraw/zinc/72/16/88/382721688.db2.gz REKLYJFVGZLRHZ-UHFFFAOYSA-N 1 1 292.448 2.822 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000215155943 382777802 /nfs/dbraw/zinc/77/78/02/382777802.db2.gz LTHMEKCVERYSAH-UHFFFAOYSA-N 1 1 289.427 2.722 50 0 CFAAMO CCc1ccc(C[N@H+]2CCCC[C@@H]2CCCO)o1 ZINC000215211521 382777871 /nfs/dbraw/zinc/77/78/71/382777871.db2.gz JXYXLWRBKDHFSV-CYBMUJFWSA-N 1 1 251.370 2.969 50 0 CFAAMO Cn1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)c(-c2ccccc2)n1 ZINC000215270946 382777958 /nfs/dbraw/zinc/77/79/58/382777958.db2.gz REZXWVPSPAKLHN-SJORKVTESA-N 1 1 299.418 2.822 50 0 CFAAMO Cc1cc2nc(C[N@@H+](C)C[C@H]3CCOC3)[nH]c2cc1C ZINC000215475765 382778872 /nfs/dbraw/zinc/77/88/72/382778872.db2.gz TVXOFQDCHTYPRP-CYBMUJFWSA-N 1 1 273.380 2.648 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](CCCSC)C2 ZINC000215440653 382779211 /nfs/dbraw/zinc/77/92/11/382779211.db2.gz VIPJWSAYNFRUIT-UHFFFAOYSA-N 1 1 251.395 2.806 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)CCCn2cccn2)cs1 ZINC000215864252 382780615 /nfs/dbraw/zinc/78/06/15/382780615.db2.gz NJASTSYOZACFFB-UHFFFAOYSA-N 1 1 277.393 2.669 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)CCCn2cccn2)cs1 ZINC000215864252 382780618 /nfs/dbraw/zinc/78/06/18/382780618.db2.gz NJASTSYOZACFFB-UHFFFAOYSA-N 1 1 277.393 2.669 50 0 CFAAMO CCn1ncnc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000215854092 382780703 /nfs/dbraw/zinc/78/07/03/382780703.db2.gz CLEFOKYJKYLFCZ-MRXNPFEDSA-N 1 1 299.422 2.680 50 0 CFAAMO CCn1ncnc1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000215854092 382780705 /nfs/dbraw/zinc/78/07/05/382780705.db2.gz CLEFOKYJKYLFCZ-MRXNPFEDSA-N 1 1 299.422 2.680 50 0 CFAAMO CCc1nccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)n1 ZINC000216008344 382781669 /nfs/dbraw/zinc/78/16/69/382781669.db2.gz NYNSNLCVIAGWHU-UHFFFAOYSA-N 1 1 293.374 2.515 50 0 CFAAMO COc1ccc(F)c(F)c1CN(C)CCn1cc[nH+]c1C ZINC000216131344 382781996 /nfs/dbraw/zinc/78/19/96/382781996.db2.gz MROKZHQUSJLOLK-UHFFFAOYSA-N 1 1 295.333 2.610 50 0 CFAAMO COC[C@@H]1CCC[N@H+]1Cc1ccc(Cn2cccn2)cc1 ZINC000216388653 382783246 /nfs/dbraw/zinc/78/32/46/382783246.db2.gz PLAPMXTWHDYSLG-KRWDZBQOSA-N 1 1 285.391 2.542 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)c2ccsc2)n1CC1CC1 ZINC000575317131 382758365 /nfs/dbraw/zinc/75/83/65/382758365.db2.gz BWKCAOKUMRPCCP-UHFFFAOYSA-N 1 1 289.404 2.636 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2)on1 ZINC000222039553 382800403 /nfs/dbraw/zinc/80/04/03/382800403.db2.gz UJPYNEKCQBOWSF-HUUCEWRRSA-N 1 1 272.348 2.854 50 0 CFAAMO C[C@H](C(=O)N1CCCC1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000225244145 382813594 /nfs/dbraw/zinc/81/35/94/382813594.db2.gz FFHLQVHGZCQFMF-UKRRQHHQSA-N 1 1 290.382 2.626 50 0 CFAAMO CSCCC[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC000225323774 382814099 /nfs/dbraw/zinc/81/40/99/382814099.db2.gz KZACVDGWOSAPOE-HNNXBMFYSA-N 1 1 264.438 2.728 50 0 CFAAMO CSCCCN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000225323774 382814101 /nfs/dbraw/zinc/81/41/01/382814101.db2.gz KZACVDGWOSAPOE-HNNXBMFYSA-N 1 1 264.438 2.728 50 0 CFAAMO CSCCCN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000225323774 382814103 /nfs/dbraw/zinc/81/41/03/382814103.db2.gz KZACVDGWOSAPOE-HNNXBMFYSA-N 1 1 264.438 2.728 50 0 CFAAMO CCc1noc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000229447789 382851446 /nfs/dbraw/zinc/85/14/46/382851446.db2.gz YOHFBHJZGXCLHC-GXTWGEPZSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1noc([C@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000229447789 382851448 /nfs/dbraw/zinc/85/14/48/382851448.db2.gz YOHFBHJZGXCLHC-GXTWGEPZSA-N 1 1 286.379 2.879 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000229405766 382851579 /nfs/dbraw/zinc/85/15/79/382851579.db2.gz MTLOBGZEUWKBSA-RHSMWYFYSA-N 1 1 295.386 2.647 50 0 CFAAMO CC1(C)CC(NCc2ccc3c[nH]nc3c2)CC(C)(C)[NH2+]1 ZINC000236739340 382912582 /nfs/dbraw/zinc/91/25/82/382912582.db2.gz RDSSLOLWLDILJV-UHFFFAOYSA-N 1 1 286.423 2.962 50 0 CFAAMO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720395 382853208 /nfs/dbraw/zinc/85/32/08/382853208.db2.gz RJOTVPACHXASPL-DOTOQJQBSA-N 1 1 286.419 2.877 50 0 CFAAMO Cn1cncc1C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000237942875 382974177 /nfs/dbraw/zinc/97/41/77/382974177.db2.gz CBISSOBUJDUBMT-CYBMUJFWSA-N 1 1 277.755 2.687 50 0 CFAAMO CC(C)[N@H+]1CCCC[C@@H]1Cn1nnc(-c2ccccc2)n1 ZINC000241588575 382983577 /nfs/dbraw/zinc/98/35/77/382983577.db2.gz PEEADVNGOZHTQN-OAHLLOKOSA-N 1 1 285.395 2.603 50 0 CFAAMO CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C)C2)C1 ZINC000241965525 382985013 /nfs/dbraw/zinc/98/50/13/382985013.db2.gz UTMUREGGWMXHBR-RBSFLKMASA-N 1 1 266.429 2.803 50 0 CFAAMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1cccs1 ZINC000242292539 382985463 /nfs/dbraw/zinc/98/54/63/382985463.db2.gz YNBWQYZNPYOSMS-MBNYWOFBSA-N 1 1 253.411 2.772 50 0 CFAAMO COc1ccnc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000242263328 382985937 /nfs/dbraw/zinc/98/59/37/382985937.db2.gz XYDZNKOYWHVPKB-SFHVURJKSA-N 1 1 297.402 2.579 50 0 CFAAMO C[N@@H+](Cc1ccoc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000243893244 382987560 /nfs/dbraw/zinc/98/75/60/382987560.db2.gz APRVNPVWJXRAQJ-OAHLLOKOSA-N 1 1 270.332 2.905 50 0 CFAAMO C[N@H+](Cc1ccoc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000243893244 382987564 /nfs/dbraw/zinc/98/75/64/382987564.db2.gz APRVNPVWJXRAQJ-OAHLLOKOSA-N 1 1 270.332 2.905 50 0 CFAAMO Cc1noc([C@H]2CCCC[N@@H+]2CCc2ccccn2)n1 ZINC000244734301 382991120 /nfs/dbraw/zinc/99/11/20/382991120.db2.gz NDANVDHSAHXIOM-CQSZACIVSA-N 1 1 272.352 2.543 50 0 CFAAMO Cc1noc([C@H]2CCCC[N@H+]2CCc2ccccn2)n1 ZINC000244734301 382991123 /nfs/dbraw/zinc/99/11/23/382991123.db2.gz NDANVDHSAHXIOM-CQSZACIVSA-N 1 1 272.352 2.543 50 0 CFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)CCCc1ccco1 ZINC000244719260 382991987 /nfs/dbraw/zinc/99/19/87/382991987.db2.gz MAALSPYOACYKEL-CYBMUJFWSA-N 1 1 259.353 2.565 50 0 CFAAMO CCc1cc(C[N@H+](C)CCn2cnc3ccccc32)on1 ZINC000244893990 382994009 /nfs/dbraw/zinc/99/40/09/382994009.db2.gz YXSCKVQHQKEIIA-UHFFFAOYSA-N 1 1 284.363 2.719 50 0 CFAAMO CCc1cc(C[N@@H+](C)CCn2cnc3ccccc32)on1 ZINC000244893990 382994017 /nfs/dbraw/zinc/99/40/17/382994017.db2.gz YXSCKVQHQKEIIA-UHFFFAOYSA-N 1 1 284.363 2.719 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccsc1 ZINC000248128604 383212573 /nfs/dbraw/zinc/21/25/73/383212573.db2.gz MNRVFJVIBVDZAI-LSDHHAIUSA-N 1 1 292.448 2.766 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000248088815 383210865 /nfs/dbraw/zinc/21/08/65/383210865.db2.gz BTNVJXOYUPKCPZ-HUUCEWRRSA-N 1 1 276.355 2.525 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000248122928 383211652 /nfs/dbraw/zinc/21/16/52/383211652.db2.gz KPZKKQMSCCAWDR-IAGOWNOFSA-N 1 1 297.402 2.867 50 0 CFAAMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCS[C@H](C)CC1 ZINC000249050959 383321664 /nfs/dbraw/zinc/32/16/64/383321664.db2.gz OHMOVNCMRHZCMP-ZIAGYGMSSA-N 1 1 292.448 2.519 50 0 CFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000426544395 383405739 /nfs/dbraw/zinc/40/57/39/383405739.db2.gz NSVUJZYKMCRRDO-ZDUSSCGKSA-N 1 1 286.423 2.835 50 0 CFAAMO CCCC[C@H](CC)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252445437 383407825 /nfs/dbraw/zinc/40/78/25/383407825.db2.gz CFBUHKAMPDNOQD-KBPBESRZSA-N 1 1 252.402 2.509 50 0 CFAAMO Cc1cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)c[nH+]c1N ZINC000252491597 383412567 /nfs/dbraw/zinc/41/25/67/383412567.db2.gz LOHXQXINGZAFFC-CQSZACIVSA-N 1 1 281.359 2.568 50 0 CFAAMO COCCC1(C[N@@H+](C)[C@@H]2CCOC2)CCCCC1 ZINC000252501726 383415063 /nfs/dbraw/zinc/41/50/63/383415063.db2.gz UIOIJGOMBKYYGW-CQSZACIVSA-N 1 1 255.402 2.694 50 0 CFAAMO OC[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccnc1 ZINC000253428613 383458772 /nfs/dbraw/zinc/45/87/72/383458772.db2.gz KAVGQLVWJMSYEY-GOSISDBHSA-N 1 1 282.387 2.651 50 0 CFAAMO C[C@H]([NH2+][C@H]1CC(C)(C)CCc2ccccc21)c1nnnn1C ZINC000253429984 383459749 /nfs/dbraw/zinc/45/97/49/383459749.db2.gz VGDUDXCXUMJDQE-WFASDCNBSA-N 1 1 299.422 2.965 50 0 CFAAMO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)cn1 ZINC000253432545 383460031 /nfs/dbraw/zinc/46/00/31/383460031.db2.gz LCSKXBGOKYRJNK-HUUCEWRRSA-N 1 1 277.412 2.983 50 0 CFAAMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000253471645 383460767 /nfs/dbraw/zinc/46/07/67/383460767.db2.gz WQEACRKNPKAUDS-OWCLPIDISA-N 1 1 272.392 2.679 50 0 CFAAMO C[C@H](C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C)c1ccc(F)cc1 ZINC000252536969 383418463 /nfs/dbraw/zinc/41/84/63/383418463.db2.gz JZVUKUSEOAQEGK-DYEKYZERSA-N 1 1 278.371 2.515 50 0 CFAAMO O=C1CC[N@@H+](Cc2ccc(F)cc2F)CCCCCCN1 ZINC000257182904 383490955 /nfs/dbraw/zinc/49/09/55/383490955.db2.gz QLFSADXQOXRSOI-UHFFFAOYSA-N 1 1 296.361 2.847 50 0 CFAAMO CCNC(=O)N1CCC[C@@H](Cc2[nH+]cc(C)n2C(C)C)C1 ZINC000257187936 383492256 /nfs/dbraw/zinc/49/22/56/383492256.db2.gz MGLQKERRNZRKAT-AWEZNQCLSA-N 1 1 292.427 2.756 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cn1 ZINC000636440576 383817725 /nfs/dbraw/zinc/81/77/25/383817725.db2.gz QTDLVSDKKXDXHK-SJORKVTESA-N 1 1 298.386 2.788 50 0 CFAAMO C[C@H]1CN(c2cc[nH+]cc2Cl)CC2(CCOCC2)O1 ZINC000279417696 384631028 /nfs/dbraw/zinc/63/10/28/384631028.db2.gz JXLMTKYDOGLMSB-NSHDSACASA-N 1 1 282.771 2.509 50 0 CFAAMO C[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280316380 384973284 /nfs/dbraw/zinc/97/32/84/384973284.db2.gz QBVIORNWMHXDDX-SWLSCSKDSA-N 1 1 281.783 2.720 50 0 CFAAMO C[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280316380 384973293 /nfs/dbraw/zinc/97/32/93/384973293.db2.gz QBVIORNWMHXDDX-SWLSCSKDSA-N 1 1 281.783 2.720 50 0 CFAAMO COC(=O)c1ccccc1C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000280325367 384974280 /nfs/dbraw/zinc/97/42/80/384974280.db2.gz QQKLJGHSTTVVNL-QGZVFWFLSA-N 1 1 291.391 2.864 50 0 CFAAMO OC1CC[NH+](Cn2c3ccccc3sc2=S)CC1 ZINC000023624351 285246005 /nfs/dbraw/zinc/24/60/05/285246005.db2.gz LHHHCRRBFBEDGT-UHFFFAOYSA-N 1 1 280.418 2.846 50 0 CFAAMO CCCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000096319252 256889314 /nfs/dbraw/zinc/88/93/14/256889314.db2.gz OTARPNHZLXRNCP-AWEZNQCLSA-N 1 1 290.407 2.690 50 0 CFAAMO CCn1cnnc1C[NH2+][C@H]1CCCc2sccc21 ZINC000095420384 184975494 /nfs/dbraw/zinc/97/54/94/184975494.db2.gz JUWDTWILKPEACE-NSHDSACASA-N 1 1 262.382 2.527 50 0 CFAAMO COc1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341975724 130162672 /nfs/dbraw/zinc/16/26/72/130162672.db2.gz JZBWUZIMXNSACN-QGZVFWFLSA-N 1 1 291.391 2.577 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000007787650 393466615 /nfs/dbraw/zinc/46/66/15/393466615.db2.gz YLLDNFBWFYNMME-WMLDXEAASA-N 1 1 286.419 2.912 50 0 CFAAMO c1ccc(CCc2nnc(CC[NH+]3CCCCC3)[nH]2)cc1 ZINC000065382230 393631685 /nfs/dbraw/zinc/63/16/85/393631685.db2.gz DBIZXHVHZMRQMQ-UHFFFAOYSA-N 1 1 284.407 2.618 50 0 CFAAMO c1ccc(CCc2nc(CC[NH+]3CCCCC3)n[nH]2)cc1 ZINC000065382230 393631691 /nfs/dbraw/zinc/63/16/91/393631691.db2.gz DBIZXHVHZMRQMQ-UHFFFAOYSA-N 1 1 284.407 2.618 50 0 CFAAMO Fc1ccc(OCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193997169 393671113 /nfs/dbraw/zinc/67/11/13/393671113.db2.gz ZDCLKVAMYGYFAS-CYBMUJFWSA-N 1 1 289.354 2.807 50 0 CFAAMO Cc1nc(C)c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)o1 ZINC000239782380 393797995 /nfs/dbraw/zinc/79/79/95/393797995.db2.gz COBXOPBCUMDIJX-CYBMUJFWSA-N 1 1 288.347 2.563 50 0 CFAAMO Cc1nc(C)c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)o1 ZINC000239782380 393797998 /nfs/dbraw/zinc/79/79/98/393797998.db2.gz COBXOPBCUMDIJX-CYBMUJFWSA-N 1 1 288.347 2.563 50 0 CFAAMO COc1ccccc1/C=C\CNC1CC[NH+](C2CC2)CC1 ZINC000096297186 393818517 /nfs/dbraw/zinc/81/85/17/393818517.db2.gz KDTBACOUBVDNLT-XQRVVYSFSA-N 1 1 286.419 2.925 50 0 CFAAMO CNC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000096424514 393829275 /nfs/dbraw/zinc/82/92/75/393829275.db2.gz GUBWTQFUSACUDL-HNNXBMFYSA-N 1 1 260.381 2.576 50 0 CFAAMO O[C@@H](C[N@@H+](Cc1ccno1)C1CC1)c1ccc(F)cc1 ZINC000096424433 393829315 /nfs/dbraw/zinc/82/93/15/393829315.db2.gz GDGQLNKNWBGYBY-HNNXBMFYSA-N 1 1 276.311 2.512 50 0 CFAAMO CC[N@H+](Cc1ccncc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000096424690 393829516 /nfs/dbraw/zinc/82/95/16/393829516.db2.gz XBOVLYFUUUFWQI-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000096424690 393829519 /nfs/dbraw/zinc/82/95/19/393829519.db2.gz XBOVLYFUUUFWQI-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2sccc2C)C[C@H]1C ZINC000252511176 393936784 /nfs/dbraw/zinc/93/67/84/393936784.db2.gz DRCNVAHSWYGGNJ-VXGBXAGGSA-N 1 1 266.410 2.611 50 0 CFAAMO CC[N@H+]1C[C@@H](C)N(C(=O)c2sccc2C)C[C@H]1C ZINC000252511176 393936787 /nfs/dbraw/zinc/93/67/87/393936787.db2.gz DRCNVAHSWYGGNJ-VXGBXAGGSA-N 1 1 266.410 2.611 50 0 CFAAMO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000252668727 393937755 /nfs/dbraw/zinc/93/77/55/393937755.db2.gz FKMNKGLAXVPNMQ-HRCADAONSA-N 1 1 295.471 2.794 50 0 CFAAMO CN1CCN(c2ccccc2C[NH2+]Cc2ccccc2)CC1 ZINC000078553890 135001768 /nfs/dbraw/zinc/00/17/68/135001768.db2.gz NZFZCVMURVRQBS-UHFFFAOYSA-N 1 1 295.430 2.728 50 0 CFAAMO Cc1noc(C2CCN(c3cc[nH+]cc3Cl)CC2)n1 ZINC000091455308 135070378 /nfs/dbraw/zinc/07/03/78/135070378.db2.gz RUOHXDRPRKWXIV-UHFFFAOYSA-N 1 1 278.743 2.810 50 0 CFAAMO Cc1cc[nH+]c(N2CCC[C@@](CO)(CC3CC3)C2)c1 ZINC000092077934 135075103 /nfs/dbraw/zinc/07/51/03/135075103.db2.gz WVJFAQKAPKAWSN-MRXNPFEDSA-N 1 1 260.381 2.769 50 0 CFAAMO Cc1nn(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(=S)n1C ZINC000036476331 543021662 /nfs/dbraw/zinc/02/16/62/543021662.db2.gz XAFSZFRWKGBVGZ-QWHCGFSZSA-N 1 1 280.441 2.872 50 0 CFAAMO Cc1nn(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(=S)n1C ZINC000036476331 543021665 /nfs/dbraw/zinc/02/16/65/543021665.db2.gz XAFSZFRWKGBVGZ-QWHCGFSZSA-N 1 1 280.441 2.872 50 0 CFAAMO CC[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000047385271 397585739 /nfs/dbraw/zinc/58/57/39/397585739.db2.gz NPZQLSOFICPMIK-JTQLQIEISA-N 1 1 258.325 2.560 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C2CCCCC2)ccn1 ZINC000047013052 397583854 /nfs/dbraw/zinc/58/38/54/397583854.db2.gz QCPXWOUMSSKBNM-UHFFFAOYSA-N 1 1 298.390 2.772 50 0 CFAAMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000000757340 397535509 /nfs/dbraw/zinc/53/55/09/397535509.db2.gz OKHWEZROQORQCH-HNNXBMFYSA-N 1 1 260.381 2.507 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000003865235 169917674 /nfs/dbraw/zinc/91/76/74/169917674.db2.gz LVNFKWOEAAOEKJ-HOTGVXAUSA-N 1 1 277.408 2.918 50 0 CFAAMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C)C2)c1 ZINC000004743830 170009668 /nfs/dbraw/zinc/00/96/68/170009668.db2.gz XTSGSHNPNOHSJD-ZDUSSCGKSA-N 1 1 276.380 2.756 50 0 CFAAMO COc1ccc(C(=O)O[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785706 170016705 /nfs/dbraw/zinc/01/67/05/170016705.db2.gz DXLIAGZRNHJCQN-LALPHHSUSA-N 1 1 277.364 2.581 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCOCCOc2ccc(C=O)cc2)C1 ZINC000004842023 170028442 /nfs/dbraw/zinc/02/84/42/170028442.db2.gz OVNWFHJOVIZZJG-OAHLLOKOSA-N 1 1 291.391 2.626 50 0 CFAAMO CC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000004870258 170034496 /nfs/dbraw/zinc/03/44/96/170034496.db2.gz BHCSJGUKEOAZQM-CYBMUJFWSA-N 1 1 261.365 3.000 50 0 CFAAMO COc1cc(C[NH+]2CCCC2)cc(Br)c1O ZINC000004987691 170049352 /nfs/dbraw/zinc/04/93/52/170049352.db2.gz IIYMXCUCDYUMDT-UHFFFAOYSA-N 1 1 286.169 2.759 50 0 CFAAMO C[N@@H+](C[C@H](O)COc1ccccc1)C1CCCCC1 ZINC000004990654 170050587 /nfs/dbraw/zinc/05/05/87/170050587.db2.gz BPTFYUCYAIDRRA-HNNXBMFYSA-N 1 1 263.381 2.691 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000005524258 170107902 /nfs/dbraw/zinc/10/79/02/170107902.db2.gz SPIIONDFFFARTK-LZWOXQAQSA-N 1 1 295.398 2.681 50 0 CFAAMO C[C@]1(O)C[N@@H+](Cc2ccccc2)[C@H](c2ccccc2)C[C@@H]1O ZINC000005530985 170109377 /nfs/dbraw/zinc/10/93/77/170109377.db2.gz VAKBKORICCUVPK-FHWLQOOXSA-N 1 1 297.398 2.746 50 0 CFAAMO C[N@@H+](C[C@H](O)COCc1ccccc1)C1CCCCC1 ZINC000005674901 170126657 /nfs/dbraw/zinc/12/66/57/170126657.db2.gz NWHQDHLGPCUEJD-KRWDZBQOSA-N 1 1 277.408 2.829 50 0 CFAAMO CCOc1ccc2nc(SCC[NH+](C)C)[nH]c2c1 ZINC000005686514 170129110 /nfs/dbraw/zinc/12/91/10/170129110.db2.gz YACRMCQSDPKEJH-UHFFFAOYSA-N 1 1 265.382 2.615 50 0 CFAAMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)[N@H+]2C ZINC000005996013 170165784 /nfs/dbraw/zinc/16/57/84/170165784.db2.gz QUSLQENMLDRCTO-YJNKXOJESA-N 1 1 277.339 2.565 50 0 in-vitro CFAAMO CC(C)c1ccccc1NC(=S)N1CC[NH+](C)CC1 ZINC000006541180 170211740 /nfs/dbraw/zinc/21/17/40/170211740.db2.gz CFEARSPMYBWDRI-UHFFFAOYSA-N 1 1 277.437 2.754 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000006702375 170229695 /nfs/dbraw/zinc/22/96/95/170229695.db2.gz KYWBWUCZGVWJDG-HNNXBMFYSA-N 1 1 291.391 2.649 50 0 CFAAMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C)o1 ZINC000006876070 170251601 /nfs/dbraw/zinc/25/16/01/170251601.db2.gz BBMSNWQLZRDIQJ-ZDUSSCGKSA-N 1 1 276.336 2.522 50 0 CFAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C)CC1 ZINC000007446824 170285223 /nfs/dbraw/zinc/28/52/23/170285223.db2.gz ZOGFBLHOVYOLOR-LBPRGKRZSA-N 1 1 271.364 2.716 50 0 CFAAMO COc1cccc(-c2csc(N3CC[NH+](C)CC3)n2)c1 ZINC000007778604 170301806 /nfs/dbraw/zinc/30/18/06/170301806.db2.gz IUQFQWNNJXWHLM-UHFFFAOYSA-N 1 1 289.404 2.571 50 0 CFAAMO CC1CC[NH+](Cn2c3ccc(Cl)cc3oc2=O)CC1 ZINC000008062079 170317089 /nfs/dbraw/zinc/31/70/89/170317089.db2.gz AAYRJNVPMMACSY-UHFFFAOYSA-N 1 1 280.755 2.937 50 0 CFAAMO Cc1csc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)n12 ZINC000009254065 170368713 /nfs/dbraw/zinc/36/87/13/170368713.db2.gz ZFPOGZFWMLFWTO-PHIMTYICSA-N 1 1 291.420 2.542 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3ccccc3F)cs2)CC1 ZINC000009498178 170379110 /nfs/dbraw/zinc/37/91/10/170379110.db2.gz QAFPCVWPNKYXCR-UHFFFAOYSA-N 1 1 277.368 2.701 50 0 CFAAMO CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@@H]12 ZINC000014987495 170651926 /nfs/dbraw/zinc/65/19/26/170651926.db2.gz XJCLMIPLNVXPDG-ILXRZTDVSA-N 1 1 259.349 2.775 50 0 biogenic,in-vitro CFAAMO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000019774125 170858166 /nfs/dbraw/zinc/85/81/66/170858166.db2.gz BNTHNHKCFISDNB-UHFFFAOYSA-N 1 1 294.398 2.953 50 0 CFAAMO CCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020457744 171208898 /nfs/dbraw/zinc/20/88/98/171208898.db2.gz MVFSSBZNXRLHGM-ZDUSSCGKSA-N 1 1 260.381 2.668 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000020537864 171241147 /nfs/dbraw/zinc/24/11/47/171241147.db2.gz YKKLNZGNEQCLRA-CQSZACIVSA-N 1 1 292.398 2.906 50 0 CFAAMO CC(C)[N@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000020568781 171255458 /nfs/dbraw/zinc/25/54/58/171255458.db2.gz MXEBPWWSMMUJEM-HNNXBMFYSA-N 1 1 298.434 2.991 50 0 CFAAMO CC(C)[N@@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C[C@@H]1C ZINC000020568781 171255460 /nfs/dbraw/zinc/25/54/60/171255460.db2.gz MXEBPWWSMMUJEM-HNNXBMFYSA-N 1 1 298.434 2.991 50 0 CFAAMO CC(C)[N@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C[C@@H]1C ZINC000020568781 171255463 /nfs/dbraw/zinc/25/54/63/171255463.db2.gz MXEBPWWSMMUJEM-HNNXBMFYSA-N 1 1 298.434 2.991 50 0 CFAAMO CC(C)Oc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000020652707 171269073 /nfs/dbraw/zinc/26/90/73/171269073.db2.gz YVDJKPNYGOBIFZ-UHFFFAOYSA-N 1 1 279.380 2.575 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OC)c(Cl)c1 ZINC000020967725 171282478 /nfs/dbraw/zinc/28/24/78/171282478.db2.gz GLXBPFWFECATSO-CYBMUJFWSA-N 1 1 282.815 2.923 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OC)c(Cl)c1 ZINC000020967725 171282479 /nfs/dbraw/zinc/28/24/79/171282479.db2.gz GLXBPFWFECATSO-CYBMUJFWSA-N 1 1 282.815 2.923 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000021782680 171322546 /nfs/dbraw/zinc/32/25/46/171322546.db2.gz RNYZUDDFIJIKGM-LBPRGKRZSA-N 1 1 257.337 2.969 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)c1ccco1)C(=O)NC1CCCCC1 ZINC000035139205 172006975 /nfs/dbraw/zinc/00/69/75/172006975.db2.gz JMDASRLLPPSZRH-NWDGAFQWSA-N 1 1 264.369 2.768 50 0 CFAAMO COc1cc(-c2[nH+]c3ccc(C)cn3c2N)ccc1O ZINC000035616476 172298708 /nfs/dbraw/zinc/29/87/08/172298708.db2.gz DFAOCEARDNQLJD-UHFFFAOYSA-N 1 1 269.304 2.606 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](C[C@H]1CCCCO1)C2 ZINC000661737954 414184761 /nfs/dbraw/zinc/18/47/61/414184761.db2.gz MVLHNOYBJUPEHB-MRXNPFEDSA-N 1 1 261.365 2.622 50 0 CFAAMO O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040159887 174195776 /nfs/dbraw/zinc/19/57/76/174195776.db2.gz HZCZWLUYNAZDNZ-KRWDZBQOSA-N 1 1 284.403 2.687 50 0 CFAAMO C[C@H]1CCSCC[N@H+]1Cc1ccc(CO)cc1 ZINC000286134850 196507905 /nfs/dbraw/zinc/50/79/05/196507905.db2.gz MVTGPIYJRYSFIE-LBPRGKRZSA-N 1 1 251.395 2.506 50 0 CFAAMO CCOc1cc(CNC[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000044534373 175197832 /nfs/dbraw/zinc/19/78/32/175197832.db2.gz QITFIDSJVMMNJP-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1cc(CNC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000044534373 175197834 /nfs/dbraw/zinc/19/78/34/175197834.db2.gz QITFIDSJVMMNJP-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1cc(C[NH2+]C[C@H]2CCCN(C)C2)ccc1OC ZINC000044534373 175197836 /nfs/dbraw/zinc/19/78/36/175197836.db2.gz QITFIDSJVMMNJP-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO COC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000044910519 175275623 /nfs/dbraw/zinc/27/56/23/175275623.db2.gz TWVMVHAUCVCUDX-SNVBAGLBSA-N 1 1 293.392 2.970 50 0 CFAAMO C[C@H](O)C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000065288533 175708151 /nfs/dbraw/zinc/70/81/51/175708151.db2.gz XOSNBLMPZURDQG-VIFPVBQESA-N 1 1 288.185 2.635 50 0 CFAAMO CC/C=C(/C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000065499563 175744280 /nfs/dbraw/zinc/74/42/80/175744280.db2.gz HBPGZMIGFSPPPU-CHHVJCJISA-N 1 1 286.419 2.907 50 0 CFAAMO CCSC[C@@H](C)[NH2+]Cc1noc(-c2ccco2)n1 ZINC000067872394 175798560 /nfs/dbraw/zinc/79/85/60/175798560.db2.gz ZNJJKUGNLQRMKQ-SECBINFHSA-N 1 1 267.354 2.561 50 0 CFAAMO CCC[N@@H+](C[C@@H](O)COCc1cccs1)CC1CC1 ZINC000068045764 175806176 /nfs/dbraw/zinc/80/61/76/175806176.db2.gz CUHPWKOJKQRNHX-CQSZACIVSA-N 1 1 283.437 2.748 50 0 CFAAMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000071376013 176141099 /nfs/dbraw/zinc/14/10/99/176141099.db2.gz ADQVPTVCHMSGJQ-LSDHHAIUSA-N 1 1 274.408 2.822 50 0 CFAAMO CCc1[nH+]c(C)cn1Cc1nc(COc2ccccc2)no1 ZINC000071748308 176258919 /nfs/dbraw/zinc/25/89/19/176258919.db2.gz UGAQVGFZPNHBGB-UHFFFAOYSA-N 1 1 298.346 2.764 50 0 CFAAMO Cc1ncc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)s1 ZINC000071797144 176264911 /nfs/dbraw/zinc/26/49/11/176264911.db2.gz QJVVNAHKVQBNAE-ZDUSSCGKSA-N 1 1 262.382 2.522 50 0 CFAAMO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)s1 ZINC000071797144 176264913 /nfs/dbraw/zinc/26/49/13/176264913.db2.gz QJVVNAHKVQBNAE-ZDUSSCGKSA-N 1 1 262.382 2.522 50 0 CFAAMO CCCc1nc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cs1 ZINC000071878609 176287332 /nfs/dbraw/zinc/28/73/32/176287332.db2.gz QNNRULXJZGETFA-CQSZACIVSA-N 1 1 290.436 2.957 50 0 CFAAMO CCCc1nc(C[N@H+]2CCC[C@@H]2Cn2cccn2)cs1 ZINC000071878609 176287333 /nfs/dbraw/zinc/28/73/33/176287333.db2.gz QNNRULXJZGETFA-CQSZACIVSA-N 1 1 290.436 2.957 50 0 CFAAMO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)N1CCCCCC1 ZINC000071897191 176292988 /nfs/dbraw/zinc/29/29/88/176292988.db2.gz QCUKFYLQMJXQON-CQSZACIVSA-N 1 1 290.407 2.788 50 0 CFAAMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000071897191 176292990 /nfs/dbraw/zinc/29/29/90/176292990.db2.gz QCUKFYLQMJXQON-CQSZACIVSA-N 1 1 290.407 2.788 50 0 CFAAMO Cc1nnc(C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)o1 ZINC000071904659 176295808 /nfs/dbraw/zinc/29/58/08/176295808.db2.gz FNDSBJJHTSFBNP-OAHLLOKOSA-N 1 1 271.364 2.894 50 0 CFAAMO O[C@H]1C[C@H](C2CCCCC2)[N@@H+](CCc2ccncc2)C1 ZINC000071907944 176296733 /nfs/dbraw/zinc/29/67/33/176296733.db2.gz XXBWFZPNZNZKLD-DLBZAZTESA-N 1 1 274.408 2.640 50 0 CFAAMO CCO[C@H](C)c1noc(C[NH+]2CCCCCCC2)n1 ZINC000071914897 176298931 /nfs/dbraw/zinc/29/89/31/176298931.db2.gz LJELSQJPHRATBM-GFCCVEGCSA-N 1 1 267.373 2.933 50 0 CFAAMO CC[C@@H]1CN(Cc2ncccc2F)CC[N@H+]1C(C)C ZINC000072146080 176325237 /nfs/dbraw/zinc/32/52/37/176325237.db2.gz CZBOIZFTJDMIAQ-CYBMUJFWSA-N 1 1 265.376 2.525 50 0 CFAAMO c1cc2c(nc[nH+]c2N2C[C@H]3[C@@H](C2)C2CCC3CC2)[nH]1 ZINC000072150518 176326931 /nfs/dbraw/zinc/32/69/31/176326931.db2.gz PSDBRORUSPSXOE-QCBYLEPLSA-N 1 1 268.364 2.830 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(CCc2ccccc2)C1 ZINC000072156513 176328582 /nfs/dbraw/zinc/32/85/82/176328582.db2.gz MUADVOQSKDXVBF-HNNXBMFYSA-N 1 1 258.409 2.788 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2nc3ccccc3n2C)C1 ZINC000072170196 176332100 /nfs/dbraw/zinc/33/21/00/176332100.db2.gz XFNKKNLKGIDAOE-AWEZNQCLSA-N 1 1 298.434 2.632 50 0 CFAAMO Cc1ncc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000072273107 176354892 /nfs/dbraw/zinc/35/48/92/176354892.db2.gz XPIIWCUOKANCGI-NSHDSACASA-N 1 1 262.382 2.554 50 0 CFAAMO c1cn(CC[C@@H]2CCCC[N@H+]2Cc2ccccn2)cn1 ZINC000077556432 177280571 /nfs/dbraw/zinc/28/05/71/177280571.db2.gz HRNYGGQDQXJFSP-INIZCTEOSA-N 1 1 270.380 2.723 50 0 CFAAMO Cc1nc(C)n(CCn2cc[nH+]c2[C@H]2CC=CCC2)n1 ZINC000077565820 177281119 /nfs/dbraw/zinc/28/11/19/177281119.db2.gz BKUZGWHCTCDJLK-AWEZNQCLSA-N 1 1 271.368 2.615 50 0 CFAAMO Cc1[nH+]ccn1Cc1nc(-c2ccc(C)cc2)no1 ZINC000029937825 260139474 /nfs/dbraw/zinc/13/94/74/260139474.db2.gz GSDMILZUIKYSAY-UHFFFAOYSA-N 1 1 254.293 2.598 50 0 CFAAMO OC[C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000252486378 275048638 /nfs/dbraw/zinc/04/86/38/275048638.db2.gz JMYJZCDPNOLWES-WBMJQRKESA-N 1 1 263.356 2.907 50 0 CFAAMO c1ccc2c(c1)[nH]c1c2C[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000077287923 275071072 /nfs/dbraw/zinc/07/10/72/275071072.db2.gz SDDCQBREURKQEK-LBPRGKRZSA-N 1 1 256.349 2.563 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000095353867 277042972 /nfs/dbraw/zinc/04/29/72/277042972.db2.gz HJPSKPVHCPCDTR-LBPRGKRZSA-N 1 1 258.325 2.679 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251109601 277152157 /nfs/dbraw/zinc/15/21/57/277152157.db2.gz BVTLXIGKCFSFJA-RBSFLKMASA-N 1 1 280.456 2.652 50 0 CFAAMO CS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000229836881 278147519 /nfs/dbraw/zinc/14/75/19/278147519.db2.gz OSWISLHGYOIZBU-RRFJBIMHSA-N 1 1 265.422 2.936 50 0 CFAAMO C[C@H](CC[N@H+]1CCOC[C@@]12CCOC2)c1ccccc1 ZINC000195010433 278172674 /nfs/dbraw/zinc/17/26/74/278172674.db2.gz BWWAZDMPKBZJHE-WBVHZDCISA-N 1 1 275.392 2.672 50 0 CFAAMO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942261 278351251 /nfs/dbraw/zinc/35/12/51/278351251.db2.gz GNLNYDMSBAMWIL-CABCVRRESA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942261 278351252 /nfs/dbraw/zinc/35/12/52/278351252.db2.gz GNLNYDMSBAMWIL-CABCVRRESA-N 1 1 287.451 2.888 50 0 CFAAMO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1N(C)C ZINC000093942261 278351253 /nfs/dbraw/zinc/35/12/53/278351253.db2.gz GNLNYDMSBAMWIL-CABCVRRESA-N 1 1 287.451 2.888 50 0 CFAAMO ClC1=CC[C@H]2C[N@@H+](CCN3CCCCC3)C[C@H]2C1 ZINC000022045118 279290030 /nfs/dbraw/zinc/29/00/30/279290030.db2.gz VBAVWASTSFNHBO-UONOGXRCSA-N 1 1 268.832 2.937 50 0 CFAAMO ClC1=CC[C@H]2CN(CC[NH+]3CCCCC3)C[C@H]2C1 ZINC000022045118 279290034 /nfs/dbraw/zinc/29/00/34/279290034.db2.gz VBAVWASTSFNHBO-UONOGXRCSA-N 1 1 268.832 2.937 50 0 CFAAMO Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c(C)c1 ZINC000091440778 280382640 /nfs/dbraw/zinc/38/26/40/280382640.db2.gz OVCYAVCNDDJGGB-JKSUJKDBSA-N 1 1 286.419 2.778 50 0 CFAAMO CCCN1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000000279789 327636550 /nfs/dbraw/zinc/63/65/50/327636550.db2.gz DSCHNSVTAFVSKT-UHFFFAOYSA-N 1 1 264.388 2.832 50 0 CFAAMO Cc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)n1C(F)F ZINC000534578259 328310950 /nfs/dbraw/zinc/31/09/50/328310950.db2.gz OVZKWKIIOCTHNY-LBPRGKRZSA-N 1 1 299.365 2.653 50 0 CFAAMO COc1ccnc(NC[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000534648389 328343431 /nfs/dbraw/zinc/34/34/31/328343431.db2.gz LGFHAKOXSRBOCI-CYBMUJFWSA-N 1 1 290.411 2.552 50 0 CFAAMO CCCc1nc(CNC(=O)[C@H]2CCCCC[N@H+]2C)cs1 ZINC000534673814 328349038 /nfs/dbraw/zinc/34/90/38/328349038.db2.gz CIKSPSMLDALQBP-CYBMUJFWSA-N 1 1 295.452 2.586 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(CNCc2cocn2)cc1F ZINC000192296183 324058857 /nfs/dbraw/zinc/05/88/57/324058857.db2.gz WOJLIVJFNROMOP-UHFFFAOYSA-N 1 1 286.310 2.598 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573096 324109494 /nfs/dbraw/zinc/10/94/94/324109494.db2.gz PJWBEXXTLAOJEG-HIFRSBDPSA-N 1 1 292.398 2.729 50 0 CFAAMO CCOCCC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)C1 ZINC000071908770 327105964 /nfs/dbraw/zinc/10/59/64/327105964.db2.gz KHKHBMOJXSMUPN-CABCVRRESA-N 1 1 298.471 2.676 50 0 CFAAMO Cc1[nH+]ccn1CCCNC(=O)N[C@H](C)C1CCCCC1 ZINC000076086250 327128749 /nfs/dbraw/zinc/12/87/49/327128749.db2.gz IFKUOKOXEKOREH-CYBMUJFWSA-N 1 1 292.427 2.850 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1CCCNc1ccc2ccccc2n1 ZINC000828710785 782103584 /nfs/dbraw/zinc/10/35/84/782103584.db2.gz FAZQTKMOIPBNPR-INIZCTEOSA-N 1 1 299.418 2.884 50 0 CFAAMO c1nc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c[nH]1 ZINC000097743590 534526299 /nfs/dbraw/zinc/52/62/99/534526299.db2.gz PIVYOGJEKNRBBC-UHFFFAOYSA-N 1 1 282.347 2.931 50 0 CFAAMO COc1cc(C)c(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)cc1C ZINC000244734351 522193668 /nfs/dbraw/zinc/19/36/68/522193668.db2.gz NDYMOTGQDAHZLB-WBVHZDCISA-N 1 1 288.435 2.981 50 0 CFAAMO C[N@@H+](CCOc1ccccc1)CCc1ccncc1 ZINC000041326887 522914939 /nfs/dbraw/zinc/91/49/39/522914939.db2.gz KJHXDYWKZJJNTM-UHFFFAOYSA-N 1 1 256.349 2.635 50 0 CFAAMO c1cc(CCC[N@H+]2CCC[C@H]3COCC[C@@H]32)ccn1 ZINC000360454381 526418649 /nfs/dbraw/zinc/41/86/49/526418649.db2.gz IXIBEJNPDWFQJU-HOTGVXAUSA-N 1 1 260.381 2.515 50 0 CFAAMO Clc1ccsc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000336379896 526994732 /nfs/dbraw/zinc/99/47/32/526994732.db2.gz TUUUEEPTZLBKHM-VIFPVBQESA-N 1 1 282.800 2.899 50 0 CFAAMO CC(C)c1[nH+]ccn1Cc1ccc(-n2ccnc2)nc1 ZINC000096500032 528373585 /nfs/dbraw/zinc/37/35/85/528373585.db2.gz XMFUNNRNEZSYLJ-UHFFFAOYSA-N 1 1 267.336 2.636 50 0 CFAAMO CC[C@@H](C(=O)NC1(c2cc(F)ccc2F)CC1)[N@@H+](C)CC ZINC000952970748 615379891 /nfs/dbraw/zinc/37/98/91/615379891.db2.gz FIYTZJLZJYWCOM-AWEZNQCLSA-N 1 1 296.361 2.800 50 0 CFAAMO CC[C@H]1C=CC[N@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000952968209 615877345 /nfs/dbraw/zinc/87/73/45/615877345.db2.gz KHVNYWDKSNHWNH-ZDUSSCGKSA-N 1 1 255.321 2.887 50 0 CFAAMO Cc1nc[nH]c1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023326 617940000 /nfs/dbraw/zinc/94/00/00/617940000.db2.gz FQXVIHXBLKDMOZ-HNNXBMFYSA-N 1 1 256.353 2.840 50 0 CFAAMO Cc1nc[nH]c1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023326 617940001 /nfs/dbraw/zinc/94/00/01/617940001.db2.gz FQXVIHXBLKDMOZ-HNNXBMFYSA-N 1 1 256.353 2.840 50 0 CFAAMO CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC000176775615 618151611 /nfs/dbraw/zinc/15/16/11/618151611.db2.gz VJMJWRAQXJMSCJ-NSHDSACASA-N 1 1 295.452 2.655 50 0 CFAAMO c1cc([C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)n[nH]1 ZINC000020541146 618806469 /nfs/dbraw/zinc/80/64/69/618806469.db2.gz OBADPGZLYUYHJL-LBPRGKRZSA-N 1 1 299.403 2.794 50 0 CFAAMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000888093306 619128675 /nfs/dbraw/zinc/12/86/75/619128675.db2.gz WDJVMZDOOZKGGN-JTQLQIEISA-N 1 1 286.828 2.876 50 0 CFAAMO C[N@@H+]1CC=C(COC(=O)CCSc2ccccc2)CC1 ZINC000888099693 619133016 /nfs/dbraw/zinc/13/30/16/619133016.db2.gz VABSZVDVRZBRRL-UHFFFAOYSA-N 1 1 291.416 2.974 50 0 CFAAMO CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCC[N@@H+](C)C1 ZINC000153497470 623990720 /nfs/dbraw/zinc/99/07/20/623990720.db2.gz ASFBNENIWKGGNF-NSHDSACASA-N 1 1 295.452 2.607 50 0 CFAAMO CCc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000154290555 624317721 /nfs/dbraw/zinc/31/77/21/624317721.db2.gz KXDCCURDLSDLEC-INIZCTEOSA-N 1 1 274.408 2.740 50 0 CFAAMO O=C(CCc1ccccc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000179563845 624968392 /nfs/dbraw/zinc/96/83/92/624968392.db2.gz CSUBOFTVUXFXHS-UHFFFAOYSA-N 1 1 286.419 2.706 50 0 CFAAMO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000012075376 626236633 /nfs/dbraw/zinc/23/66/33/626236633.db2.gz LVKZJKWFZBPNJD-CQSZACIVSA-N 1 1 287.388 2.843 50 0 CFAAMO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000012300023 626279169 /nfs/dbraw/zinc/27/91/69/626279169.db2.gz FXPUXOKQFBNBQX-GOSISDBHSA-N 1 1 299.418 2.617 50 0 CFAAMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000012300023 626279171 /nfs/dbraw/zinc/27/91/71/626279171.db2.gz FXPUXOKQFBNBQX-GOSISDBHSA-N 1 1 299.418 2.617 50 0 CFAAMO Fc1ccc(/C=C\C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000770304160 627512363 /nfs/dbraw/zinc/51/23/63/627512363.db2.gz KBESVMDDYUPCFL-TYWJTISVSA-N 1 1 291.366 2.719 50 0 CFAAMO Fc1ccc(/C=C\C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000770304160 627512365 /nfs/dbraw/zinc/51/23/65/627512365.db2.gz KBESVMDDYUPCFL-TYWJTISVSA-N 1 1 291.366 2.719 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@H](C)C1 ZINC000000201445 651100450 /nfs/dbraw/zinc/10/04/50/651100450.db2.gz DJQARZCZCLCJFV-CJNGLKHVSA-N 1 1 261.365 2.949 50 0 CFAAMO CCOC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000000757734 651113676 /nfs/dbraw/zinc/11/36/76/651113676.db2.gz YVJANLDBNAZYHP-UHFFFAOYSA-N 1 1 288.391 2.666 50 0 CFAAMO CCN1CC[C@H]([N@@H+](CC)Cc2ccccc2)CCC1=O ZINC000014988440 651184649 /nfs/dbraw/zinc/18/46/49/651184649.db2.gz ACJWSPTXFJWKSZ-MRXNPFEDSA-N 1 1 274.408 2.910 50 0 CFAAMO Cc1[nH+]ccn1C[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000585118948 776865825 /nfs/dbraw/zinc/86/58/25/776865825.db2.gz JUZWZQJZOAVHHS-CYBMUJFWSA-N 1 1 291.738 2.870 50 0 CFAAMO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000081009933 778560126 /nfs/dbraw/zinc/56/01/26/778560126.db2.gz HIJGKCOOJRGDNU-NSHDSACASA-N 1 1 295.814 2.686 50 0 CFAAMO Cc1nccn1C[C@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000821751141 781886122 /nfs/dbraw/zinc/88/61/22/781886122.db2.gz JZMHBJPAAZHVBS-INIZCTEOSA-N 1 1 298.434 2.792 50 0 CFAAMO CC(C)Cc1nnc([C@H](C)[NH+]2CCCCCC2)[nH]1 ZINC000822182713 781894014 /nfs/dbraw/zinc/89/40/14/781894014.db2.gz KUNJODZBLXWWGF-LBPRGKRZSA-N 1 1 250.390 2.940 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000096455393 230377016 /nfs/dbraw/zinc/37/70/16/230377016.db2.gz XIDONBDAAGSXFC-AWEZNQCLSA-N 1 1 291.395 2.523 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484324 230381217 /nfs/dbraw/zinc/38/12/17/230381217.db2.gz VUWRZGJYAXLRIP-GVDBMIGSSA-N 1 1 288.435 2.979 50 0 CFAAMO Cc1ccccc1OC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484324 230381218 /nfs/dbraw/zinc/38/12/18/230381218.db2.gz VUWRZGJYAXLRIP-GVDBMIGSSA-N 1 1 288.435 2.979 50 0 CFAAMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cnc2ncccn12 ZINC000096489705 230382402 /nfs/dbraw/zinc/38/24/02/230382402.db2.gz BSDZUGRTINMTHG-CYBMUJFWSA-N 1 1 296.374 2.931 50 0 CFAAMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cnc2ncccn12 ZINC000096489705 230382403 /nfs/dbraw/zinc/38/24/03/230382403.db2.gz BSDZUGRTINMTHG-CYBMUJFWSA-N 1 1 296.374 2.931 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CC(c2cccnc2)C1 ZINC000095528296 185005268 /nfs/dbraw/zinc/00/52/68/185005268.db2.gz VMXGJJRUSSWMQH-CYBMUJFWSA-N 1 1 298.390 2.589 50 0 CFAAMO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000095951792 185040148 /nfs/dbraw/zinc/04/01/48/185040148.db2.gz REQNEFAEKMHHTN-MRXNPFEDSA-N 1 1 290.407 2.574 50 0 CFAAMO Cc1[nH]c2ccc(C)cc2c1CC(=O)NCC[N@H+](C)C1CC1 ZINC000095956034 185042429 /nfs/dbraw/zinc/04/24/29/185042429.db2.gz WJOPZEMFNUKWQC-UHFFFAOYSA-N 1 1 299.418 2.538 50 0 CFAAMO Brc1cncc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000095961956 185044694 /nfs/dbraw/zinc/04/46/94/185044694.db2.gz JZYRIWOZBWKTRC-WCQYABFASA-N 1 1 296.212 2.883 50 0 CFAAMO COCC[C@@H]([NH2+]C1CCN(C(C)C)CC1)C(C)C ZINC000095969328 185047710 /nfs/dbraw/zinc/04/77/10/185047710.db2.gz UPMMTFKTLXJFJF-OAHLLOKOSA-N 1 1 256.434 2.510 50 0 CFAAMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cnc2cnccn12 ZINC000095982493 185054541 /nfs/dbraw/zinc/05/45/41/185054541.db2.gz HQZVNDVHHCYOLV-CYBMUJFWSA-N 1 1 296.374 2.931 50 0 CFAAMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cnc2cnccn12 ZINC000095982493 185054542 /nfs/dbraw/zinc/05/45/42/185054542.db2.gz HQZVNDVHHCYOLV-CYBMUJFWSA-N 1 1 296.374 2.931 50 0 CFAAMO CCc1nc([C@H](C)[NH2+]CCN2CCCCC2)cs1 ZINC000096014102 185066469 /nfs/dbraw/zinc/06/64/69/185066469.db2.gz CNHBHXIPYJFYKI-LBPRGKRZSA-N 1 1 267.442 2.842 50 0 CFAAMO Cc1nc(C[N@H+](C)CCc2nccs2)cs1 ZINC000097021024 185153466 /nfs/dbraw/zinc/15/34/66/185153466.db2.gz OGZWNBVHARCZDO-UHFFFAOYSA-N 1 1 253.396 2.583 50 0 CFAAMO Cc1nc(C[N@@H+](C)CCc2nccs2)cs1 ZINC000097021024 185153467 /nfs/dbraw/zinc/15/34/67/185153467.db2.gz OGZWNBVHARCZDO-UHFFFAOYSA-N 1 1 253.396 2.583 50 0 CFAAMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000097033599 185155664 /nfs/dbraw/zinc/15/56/64/185155664.db2.gz YXIOOYJILTYTIT-NSHDSACASA-N 1 1 299.403 2.883 50 0 CFAAMO CC[C@@](C)([NH2+]CC(=O)Nc1ccccc1)c1nccs1 ZINC000096443442 529505756 /nfs/dbraw/zinc/50/57/56/529505756.db2.gz JFGGVWUCHGBESE-OAHLLOKOSA-N 1 1 289.404 2.997 50 0 CFAAMO CC1CCC(N(C)C(=O)C[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000126114107 187218061 /nfs/dbraw/zinc/21/80/61/187218061.db2.gz BEPYFMLROYRIDN-UYSNPLJNSA-N 1 1 296.455 2.524 50 0 CFAAMO CC1CCC(N(C)C(=O)C[N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000126114107 187218062 /nfs/dbraw/zinc/21/80/62/187218062.db2.gz BEPYFMLROYRIDN-UYSNPLJNSA-N 1 1 296.455 2.524 50 0 CFAAMO CC[N@H+]1CCC[C@H](CN(C)c2ccc(C(C)C)nn2)C1 ZINC000823109898 781921445 /nfs/dbraw/zinc/92/14/45/781921445.db2.gz VLRFIUPYNFBDBK-CQSZACIVSA-N 1 1 276.428 2.768 50 0 CFAAMO COc1cccc(N2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000071930825 346923300 /nfs/dbraw/zinc/92/33/00/346923300.db2.gz WUTTTYZISMLCFB-UHFFFAOYSA-N 1 1 272.348 2.610 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000072267530 346924754 /nfs/dbraw/zinc/92/47/54/346924754.db2.gz WLKDGKOURPATAO-QGZVFWFLSA-N 1 1 284.407 2.950 50 0 CFAAMO C[N@H+](CC(=O)Nc1ccccc1)[C@H](CCO)c1ccccc1 ZINC000096441582 529838951 /nfs/dbraw/zinc/83/89/51/529838951.db2.gz BSSFEMIYURFUSW-QGZVFWFLSA-N 1 1 298.386 2.681 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccccc1)[C@H](CCO)c1ccccc1 ZINC000096441582 529838952 /nfs/dbraw/zinc/83/89/52/529838952.db2.gz BSSFEMIYURFUSW-QGZVFWFLSA-N 1 1 298.386 2.681 50 0 CFAAMO C[N@@H+](Cc1cccc(Cl)c1)C1CCS(=O)CC1 ZINC000078969820 539376063 /nfs/dbraw/zinc/37/60/63/539376063.db2.gz CCRYJVBAHOADMZ-UHFFFAOYSA-N 1 1 271.813 2.683 50 0 CFAAMO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000075128176 347057637 /nfs/dbraw/zinc/05/76/37/347057637.db2.gz FKMNKGLAXVPNMQ-OWCLPIDISA-N 1 1 295.471 2.794 50 0 CFAAMO C[C@H]1c2cccn2CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000025313357 539433160 /nfs/dbraw/zinc/43/31/60/539433160.db2.gz BWBNAHOSDQEWRC-BLLLJJGKSA-N 1 1 274.339 2.737 50 0 CFAAMO Cc1ccccc1O[C@H](C)CC[C@@H](C)[N@@H+](C)CCO ZINC000022064888 346247500 /nfs/dbraw/zinc/24/75/00/346247500.db2.gz CCWAVEMRPJAESV-HUUCEWRRSA-N 1 1 265.397 2.855 50 0 CFAAMO O=C(C[N@@H+]1CC[C@H]2C=CC=C[C@@H]2C1)c1ccccc1O ZINC000048582456 346475675 /nfs/dbraw/zinc/47/56/75/346475675.db2.gz YAGRCKDQFZYECD-ZIAGYGMSSA-N 1 1 269.344 2.639 50 0 CFAAMO O=C(C[N@H+]1CC[C@H]2C=CC=C[C@@H]2C1)c1ccccc1O ZINC000048582456 346475676 /nfs/dbraw/zinc/47/56/76/346475676.db2.gz YAGRCKDQFZYECD-ZIAGYGMSSA-N 1 1 269.344 2.639 50 0 CFAAMO Fc1ccc([C@H]2CCC[N@H+]2CCn2cccn2)cc1 ZINC000066420316 346760460 /nfs/dbraw/zinc/76/04/60/346760460.db2.gz SLHQVUHPIJMPSN-OAHLLOKOSA-N 1 1 259.328 2.859 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@H]1CC ZINC000095882806 347699089 /nfs/dbraw/zinc/69/90/89/347699089.db2.gz UOTCUJGGSUJBJM-GOEBONIOSA-N 1 1 261.365 2.949 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]1CC ZINC000095882808 347699166 /nfs/dbraw/zinc/69/91/66/347699166.db2.gz UOTCUJGGSUJBJM-HOCLYGCPSA-N 1 1 261.365 2.949 50 0 CFAAMO Cc1nc([C@H]2CCC[N@H+]([C@H](C)c3ccncc3)C2)no1 ZINC000106910883 347733652 /nfs/dbraw/zinc/73/36/52/347733652.db2.gz BTCSETGEUFDXNL-RISCZKNCSA-N 1 1 272.352 2.714 50 0 CFAAMO CSc1ccc(-n2ncnc2Cn2cc[nH+]c2C)cc1 ZINC000095352424 539574188 /nfs/dbraw/zinc/57/41/88/539574188.db2.gz MKKPWUMCXQPBAS-UHFFFAOYSA-N 1 1 285.376 2.542 50 0 CFAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000169783914 348052574 /nfs/dbraw/zinc/05/25/74/348052574.db2.gz YAIOOLPJBOULCJ-HNNXBMFYSA-N 1 1 292.448 2.829 50 0 CFAAMO Fc1cccc(Cl)c1CCC[N@@H+]1CCC2(C1)OCCO2 ZINC000170607049 348056578 /nfs/dbraw/zinc/05/65/78/348056578.db2.gz SHGPPAHNUIEYCE-UHFFFAOYSA-N 1 1 299.773 2.861 50 0 CFAAMO Fc1cccc(Cl)c1CCC[N@H+]1CCC2(C1)OCCO2 ZINC000170607049 348056582 /nfs/dbraw/zinc/05/65/82/348056582.db2.gz SHGPPAHNUIEYCE-UHFFFAOYSA-N 1 1 299.773 2.861 50 0 CFAAMO CCc1[nH+]ccn1CCn1c(C)nc2ccccc21 ZINC000195551568 348146006 /nfs/dbraw/zinc/14/60/06/348146006.db2.gz UFXNCSLBJPTVFC-UHFFFAOYSA-N 1 1 254.337 2.804 50 0 CFAAMO C[N@@H+](CCO[C@@H]1CCCCO1)[C@@H]1CCCc2cccnc21 ZINC000225532906 348178428 /nfs/dbraw/zinc/17/84/28/348178428.db2.gz FOBPHXPSBSXFRX-HZPDHXFCSA-N 1 1 290.407 2.934 50 0 CFAAMO COc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc1O ZINC000225670904 348179527 /nfs/dbraw/zinc/17/95/27/348179527.db2.gz KNCJZYLCPLHTPV-AWEZNQCLSA-N 1 1 284.359 2.785 50 0 CFAAMO C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229337586 348200949 /nfs/dbraw/zinc/20/09/49/348200949.db2.gz UXUSCXCCMLCGJF-TZMCWYRMSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229337586 348200954 /nfs/dbraw/zinc/20/09/54/348200954.db2.gz UXUSCXCCMLCGJF-TZMCWYRMSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000229337586 348200955 /nfs/dbraw/zinc/20/09/55/348200955.db2.gz UXUSCXCCMLCGJF-TZMCWYRMSA-N 1 1 256.353 2.745 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000245316677 348251602 /nfs/dbraw/zinc/25/16/02/348251602.db2.gz KDGLQLXXOFLQOL-HOTGVXAUSA-N 1 1 293.455 2.714 50 0 CFAAMO CC(C)C[N@H+]1CC[C@@H](CN(C)C(=O)CSC(C)C)C1 ZINC000584892306 348729291 /nfs/dbraw/zinc/72/92/91/348729291.db2.gz UVHCKYODSHIGDU-AWEZNQCLSA-N 1 1 286.485 2.564 50 0 CFAAMO COC[C@H](C)[NH2+]CCCc1nc2ccc(Cl)cc2[nH]1 ZINC000584896412 348731357 /nfs/dbraw/zinc/73/13/57/348731357.db2.gz JHDYHKYLASTYNP-JTQLQIEISA-N 1 1 281.787 2.773 50 0 CFAAMO Cn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000075552431 539704646 /nfs/dbraw/zinc/70/46/46/539704646.db2.gz AEKKZJYKWWVKCO-HNNXBMFYSA-N 1 1 295.390 2.676 50 0 CFAAMO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C2 ZINC000252484970 539731629 /nfs/dbraw/zinc/73/16/29/539731629.db2.gz GLEXABWZYBLZRX-AWEZNQCLSA-N 1 1 274.408 2.514 50 0 CFAAMO Cc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)NCC(C)C)C2 ZINC000252484970 539731632 /nfs/dbraw/zinc/73/16/32/539731632.db2.gz GLEXABWZYBLZRX-AWEZNQCLSA-N 1 1 274.408 2.514 50 0 CFAAMO COc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C)c(F)c1 ZINC000090888220 180054183 /nfs/dbraw/zinc/05/41/83/180054183.db2.gz FRHFRTMXEBYZJB-JTQLQIEISA-N 1 1 277.343 2.727 50 0 CFAAMO C[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CCC[C@H]1O ZINC000271266782 191038656 /nfs/dbraw/zinc/03/86/56/191038656.db2.gz MCHXOEMBHLMJIY-IINYFYTJSA-N 1 1 255.308 2.558 50 0 CFAAMO C[N@H+](Cc1c(F)cccc1F)C[C@@H]1CCC[C@H]1O ZINC000271266782 191038658 /nfs/dbraw/zinc/03/86/58/191038658.db2.gz MCHXOEMBHLMJIY-IINYFYTJSA-N 1 1 255.308 2.558 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2nccs2)CC[C@@]1(O)C1CCC1 ZINC000091486914 180167933 /nfs/dbraw/zinc/16/79/33/180167933.db2.gz WZRQSRXNRUHVSA-RISCZKNCSA-N 1 1 266.410 2.516 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2nccs2)CC[C@@]1(O)C1CCC1 ZINC000091486914 180167934 /nfs/dbraw/zinc/16/79/34/180167934.db2.gz WZRQSRXNRUHVSA-RISCZKNCSA-N 1 1 266.410 2.516 50 0 CFAAMO CC[C@@H]1C=CC[N@H+]1Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091552048 180189285 /nfs/dbraw/zinc/18/92/85/180189285.db2.gz IUOAODXLLAAHEV-GFCCVEGCSA-N 1 1 272.323 2.818 50 0 CFAAMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccsc2)CCN1 ZINC000092076204 180317328 /nfs/dbraw/zinc/31/73/28/180317328.db2.gz FXTWCIPKXJPBGJ-HNNXBMFYSA-N 1 1 286.400 2.811 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)nc2)CC[C@]1(C)O ZINC000092080972 180319919 /nfs/dbraw/zinc/31/99/19/180319919.db2.gz FHFZCIRVFYLKRA-MFKMUULPSA-N 1 1 288.313 2.693 50 0 CFAAMO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000107145212 186160798 /nfs/dbraw/zinc/16/07/98/186160798.db2.gz WMCDHBDLVPTUKR-GHMZBOCLSA-N 1 1 269.414 2.909 50 0 CFAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000107145212 186160800 /nfs/dbraw/zinc/16/08/00/186160800.db2.gz WMCDHBDLVPTUKR-GHMZBOCLSA-N 1 1 269.414 2.909 50 0 CFAAMO Cc1ccc(OCC[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000107695560 186186511 /nfs/dbraw/zinc/18/65/11/186186511.db2.gz IFNLMQBBIBIFOP-OAHLLOKOSA-N 1 1 263.381 2.732 50 0 CFAAMO Cc1ccnc(NC(=O)CN(C)c2cc[nH+]cc2Cl)c1 ZINC000080977495 539802128 /nfs/dbraw/zinc/80/21/28/539802128.db2.gz XRLJUNQEYQWPJE-UHFFFAOYSA-N 1 1 290.754 2.513 50 0 CFAAMO CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)o1 ZINC000111216010 186370923 /nfs/dbraw/zinc/37/09/23/186370923.db2.gz UQENOGYBDKTRKV-OCCSQVGLSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1nnc([C@@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)o1 ZINC000111216010 186370925 /nfs/dbraw/zinc/37/09/25/186370925.db2.gz UQENOGYBDKTRKV-OCCSQVGLSA-N 1 1 286.379 2.879 50 0 CFAAMO Cc1nn(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(=S)n1C ZINC000685942564 540021989 /nfs/dbraw/zinc/02/19/89/540021989.db2.gz XAFSZFRWKGBVGZ-CHWSQXEVSA-N 1 1 280.441 2.872 50 0 CFAAMO Cc1nn(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(=S)n1C ZINC000685942564 540021991 /nfs/dbraw/zinc/02/19/91/540021991.db2.gz XAFSZFRWKGBVGZ-CHWSQXEVSA-N 1 1 280.441 2.872 50 0 CFAAMO NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245284713 283345495 /nfs/dbraw/zinc/34/54/95/283345495.db2.gz UFVHRDPNNDCPFW-KBMXLJTQSA-N 1 1 272.392 2.725 50 0 CFAAMO C[N@@H+](CCCC1CCCC1)CC[C@H]1CCS(=O)(=O)C1 ZINC000823693042 781936402 /nfs/dbraw/zinc/93/64/02/781936402.db2.gz HFMWSQSTVHMTPT-HNNXBMFYSA-N 1 1 287.469 2.713 50 0 CFAAMO CCCCC(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000169980669 540550689 /nfs/dbraw/zinc/55/06/89/540550689.db2.gz RGLOODSSLQHAQE-ZDUSSCGKSA-N 1 1 263.385 2.799 50 0 CFAAMO Cn1c2c(nc1C1CC1)C[N@H+](CC1CCCC1)CC2 ZINC000084310841 540683424 /nfs/dbraw/zinc/68/34/24/540683424.db2.gz PFRMYLGPCXYALR-UHFFFAOYSA-N 1 1 259.397 2.846 50 0 CFAAMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cnc2ccccc2n1 ZINC000585093520 540937832 /nfs/dbraw/zinc/93/78/32/540937832.db2.gz GKWJFEMAXQZRHL-NSHDSACASA-N 1 1 268.320 2.501 50 0 CFAAMO C[N@H+](CC(=O)Nc1cccc(Cl)c1)CC1=CCCOC1 ZINC000180114829 189238143 /nfs/dbraw/zinc/23/81/43/189238143.db2.gz PCCQINGVGHYRRT-UHFFFAOYSA-N 1 1 294.782 2.557 50 0 CFAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)CC1=CCCOC1 ZINC000180114829 189238144 /nfs/dbraw/zinc/23/81/44/189238144.db2.gz PCCQINGVGHYRRT-UHFFFAOYSA-N 1 1 294.782 2.557 50 0 CFAAMO CC(C)[N@H+]1CC[C@@H](CN(C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430017 540991478 /nfs/dbraw/zinc/99/14/78/540991478.db2.gz PBECJHBAGMLWNR-AWEZNQCLSA-N 1 1 286.423 2.725 50 0 CFAAMO C[N@H+](Cc1cc2c(cc1Cl)OCO2)C[C@H]1CCOC1 ZINC000670437087 540994180 /nfs/dbraw/zinc/99/41/80/540994180.db2.gz INOOPKXRXDIMPR-SNVBAGLBSA-N 1 1 283.755 2.537 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC[C@@H]2CCOC2)cc1OC ZINC000670439698 540995368 /nfs/dbraw/zinc/99/53/68/540995368.db2.gz FIQBVNQEWPIYBX-CYBMUJFWSA-N 1 1 279.380 2.562 50 0 CFAAMO Cc1nncn1CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000670441172 540995926 /nfs/dbraw/zinc/99/59/26/540995926.db2.gz MOWZZNKXSWNKLK-AWEZNQCLSA-N 1 1 290.798 2.729 50 0 CFAAMO O=C1CCCN1C[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000670443125 540996697 /nfs/dbraw/zinc/99/66/97/540996697.db2.gz IJIKFRVAZURHBE-MRXNPFEDSA-N 1 1 276.424 2.821 50 0 CFAAMO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CSCCSC1 ZINC000670454174 541000169 /nfs/dbraw/zinc/00/01/69/541000169.db2.gz MSNUGUGOINLCFL-AWEZNQCLSA-N 1 1 295.473 2.771 50 0 CFAAMO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc3nc(C)[nH]c3c2)n1 ZINC000670452756 541000233 /nfs/dbraw/zinc/00/02/33/541000233.db2.gz MLSSWLXFMVVHDS-GFCCVEGCSA-N 1 1 297.406 2.863 50 0 CFAAMO CC(C)C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000670463538 541005624 /nfs/dbraw/zinc/00/56/24/541005624.db2.gz LDNVFNFNBRSERR-HNNXBMFYSA-N 1 1 273.380 2.810 50 0 CFAAMO CC(C)C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000670463538 541005628 /nfs/dbraw/zinc/00/56/28/541005628.db2.gz LDNVFNFNBRSERR-HNNXBMFYSA-N 1 1 273.380 2.810 50 0 CFAAMO c1ccc(N2CCC[N@H+]([C@H]3CCSC3)CC2)cc1 ZINC000670465091 541005826 /nfs/dbraw/zinc/00/58/26/541005826.db2.gz URLNSQBREAGAHF-HNNXBMFYSA-N 1 1 262.422 2.704 50 0 CFAAMO Cc1ncsc1C[N@@H+](C)CCCc1c(C)n[nH]c1C ZINC000670465641 541006257 /nfs/dbraw/zinc/00/62/57/541006257.db2.gz LDEZKIYFACCLEO-UHFFFAOYSA-N 1 1 278.425 2.856 50 0 CFAAMO CC(C)c1cc(C[N@H+](C)CC2(CO)CCCC2)no1 ZINC000670467465 541006884 /nfs/dbraw/zinc/00/68/84/541006884.db2.gz PULMMJPLMCTHGY-UHFFFAOYSA-N 1 1 266.385 2.783 50 0 CFAAMO CC(C)c1cc(C[N@@H+](C)CC2(CO)CCCC2)no1 ZINC000670467465 541006887 /nfs/dbraw/zinc/00/68/87/541006887.db2.gz PULMMJPLMCTHGY-UHFFFAOYSA-N 1 1 266.385 2.783 50 0 CFAAMO Cc1[nH+]cn(CCNC(=O)c2nc(C(C)C)cs2)c1C ZINC000670471111 541009996 /nfs/dbraw/zinc/00/99/96/541009996.db2.gz HUCIXFOPRBDVOL-UHFFFAOYSA-N 1 1 292.408 2.510 50 0 CFAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)CCc1cccc(C)n1 ZINC000670472787 541011305 /nfs/dbraw/zinc/01/13/05/541011305.db2.gz PBTCVOQGQKBSSU-UHFFFAOYSA-N 1 1 286.423 2.837 50 0 CFAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000670474306 541011560 /nfs/dbraw/zinc/01/15/60/541011560.db2.gz ZRIPFDDUVFBSRS-LJQANCHMSA-N 1 1 295.382 2.715 50 0 CFAAMO Cc1ncsc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000205680118 541050304 /nfs/dbraw/zinc/05/03/04/541050304.db2.gz PGSOWPUBMLNVJS-NSHDSACASA-N 1 1 262.382 2.554 50 0 CFAAMO CC(C)c1[nH+]ccn1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000182841387 189336860 /nfs/dbraw/zinc/33/68/60/189336860.db2.gz IIHQCTFBLPXJRR-ZDUSSCGKSA-N 1 1 283.375 2.984 50 0 CFAAMO Cc1ccc2ncc(C[N@@H+](C)Cc3ccncc3)n2c1 ZINC000183749499 189367378 /nfs/dbraw/zinc/36/73/78/189367378.db2.gz WHLMXGVXVFWIAM-UHFFFAOYSA-N 1 1 266.348 2.670 50 0 CFAAMO Cc1ccc2ncc(C[N@H+](C)Cc3ccncc3)n2c1 ZINC000183749499 189367379 /nfs/dbraw/zinc/36/73/79/189367379.db2.gz WHLMXGVXVFWIAM-UHFFFAOYSA-N 1 1 266.348 2.670 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1CNc1nnc(C(C)C)s1 ZINC000301748206 201174581 /nfs/dbraw/zinc/17/45/81/201174581.db2.gz ZXWNBIQJKYLIAG-LLVKDONJSA-N 1 1 268.430 2.948 50 0 CFAAMO O[C@H](CNc1[nH]c2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000301883591 201247441 /nfs/dbraw/zinc/24/74/41/201247441.db2.gz NNQFMCWBDIUBLL-CQSZACIVSA-N 1 1 271.295 2.848 50 0 CFAAMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccsc1)C1CC1 ZINC000275707794 193110674 /nfs/dbraw/zinc/11/06/74/193110674.db2.gz NPVOWMHCYCAFQM-HNNXBMFYSA-N 1 1 278.421 2.723 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2c(s1)CCC2 ZINC000040534788 284201090 /nfs/dbraw/zinc/20/10/90/284201090.db2.gz AEDDVQPWBFHVIR-QWHCGFSZSA-N 1 1 290.432 2.593 50 0 CFAAMO CC(C)NC(=[NH2+])NC(=N)Nc1ccc(Cl)c(Cl)c1 ZINC000000001136 371508079 /nfs/dbraw/zinc/50/80/79/371508079.db2.gz ISZNZKHCRKXXAU-UHFFFAOYSA-N 1 1 288.182 2.862 50 0 world CFAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000000055236 371518987 /nfs/dbraw/zinc/51/89/87/371518987.db2.gz LEKLYHHAPFRUJV-UHFFFAOYSA-N 1 1 252.745 2.764 50 0 CFAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCCCCC1 ZINC000000212450 371558537 /nfs/dbraw/zinc/55/85/37/371558537.db2.gz WORFDAODWCDIGJ-OAHLLOKOSA-N 1 1 290.407 2.894 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000000209264 371558967 /nfs/dbraw/zinc/55/89/67/371558967.db2.gz MVBGCIHWOWIGHX-ZDUSSCGKSA-N 1 1 284.197 2.796 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000000209264 371558974 /nfs/dbraw/zinc/55/89/74/371558974.db2.gz MVBGCIHWOWIGHX-ZDUSSCGKSA-N 1 1 284.197 2.796 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000000214144 371560963 /nfs/dbraw/zinc/56/09/63/371560963.db2.gz AJRXPNFRMJAWHV-VIFPVBQESA-N 1 1 260.164 2.950 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000000214144 371560969 /nfs/dbraw/zinc/56/09/69/371560969.db2.gz AJRXPNFRMJAWHV-VIFPVBQESA-N 1 1 260.164 2.950 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000000237919 371565067 /nfs/dbraw/zinc/56/50/67/371565067.db2.gz ACXKBSSRVBDYHM-OAHLLOKOSA-N 1 1 261.365 2.770 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000000240336 371566125 /nfs/dbraw/zinc/56/61/25/371566125.db2.gz MELSFIGZWVYXNU-HOCLYGCPSA-N 1 1 277.408 2.775 50 0 CFAAMO OCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000000278852 371575990 /nfs/dbraw/zinc/57/59/90/371575990.db2.gz VLXQNFHVIMKNHX-UHFFFAOYSA-N 1 1 259.324 2.820 50 0 CFAAMO CCCN1CCC([NH2+][C@H](C)CCCC(C)(C)O)CC1 ZINC000000280323 371576966 /nfs/dbraw/zinc/57/69/66/371576966.db2.gz BECLWCGMUKTBLF-CQSZACIVSA-N 1 1 270.461 2.780 50 0 CFAAMO C[N@H+]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2)C1 ZINC000000551064 371639240 /nfs/dbraw/zinc/63/92/40/371639240.db2.gz JAKUVHIHTFIPLL-GFCCVEGCSA-N 1 1 253.729 2.591 50 0 CFAAMO CCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000000557429 371640918 /nfs/dbraw/zinc/64/09/18/371640918.db2.gz CQLBSBDWEVDLRE-UHFFFAOYSA-N 1 1 295.814 2.830 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000000753259 371646808 /nfs/dbraw/zinc/64/68/08/371646808.db2.gz XDNLUYNNTQXVES-LBPRGKRZSA-N 1 1 284.197 2.653 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000000759114 371648450 /nfs/dbraw/zinc/64/84/50/371648450.db2.gz MVIBJWXEVFIMDV-LLVKDONJSA-N 1 1 275.270 2.542 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000000759116 371648731 /nfs/dbraw/zinc/64/87/31/371648731.db2.gz MVIBJWXEVFIMDV-NSHDSACASA-N 1 1 275.270 2.542 50 0 CFAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccco1 ZINC000000808167 371650943 /nfs/dbraw/zinc/65/09/43/371650943.db2.gz ISBCEVPZIPFBSV-ZDUSSCGKSA-N 1 1 273.332 2.957 50 0 CFAAMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000002451814 371727272 /nfs/dbraw/zinc/72/72/72/371727272.db2.gz MELSFIGZWVYXNU-ZBFHGGJFSA-N 1 1 277.408 2.775 50 0 CFAAMO CCCCc1ccc(NC(=S)N2CC[NH+](C)CC2)cc1 ZINC000002836768 371758398 /nfs/dbraw/zinc/75/83/98/371758398.db2.gz GVQREZSJEMTPAU-UHFFFAOYSA-N 1 1 291.464 2.973 50 0 CFAAMO COc1ccc(C[N@H+](C)CC(=O)NC2CCCCC2)cc1 ZINC000002624610 371742623 /nfs/dbraw/zinc/74/26/23/371742623.db2.gz BCXKSBHWWMNWED-UHFFFAOYSA-N 1 1 290.407 2.576 50 0 CFAAMO COc1ccc(C[N@@H+](C)CC(=O)NC2CCCCC2)cc1 ZINC000002624610 371742627 /nfs/dbraw/zinc/74/26/27/371742627.db2.gz BCXKSBHWWMNWED-UHFFFAOYSA-N 1 1 290.407 2.576 50 0 CFAAMO Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004029141 371829602 /nfs/dbraw/zinc/82/96/02/371829602.db2.gz BSPTUJWADWOYRC-DOTOQJQBSA-N 1 1 286.419 2.989 50 0 CFAAMO CCCN1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000003683644 371816758 /nfs/dbraw/zinc/81/67/58/371816758.db2.gz BYYYILOJRBKFPB-UHFFFAOYSA-N 1 1 264.388 2.832 50 0 CFAAMO COc1ccc(CC[N@@H+]2CCC(=O)[C@@H](C)[C@H]2C)cc1OC ZINC000004343110 371851800 /nfs/dbraw/zinc/85/18/00/371851800.db2.gz PTKVNRIUQDVVDK-QWHCGFSZSA-N 1 1 291.391 2.546 50 0 CFAAMO COc1ccc(CC[N@H+]2CCC(=O)[C@@H](C)[C@H]2C)cc1OC ZINC000004343110 371851805 /nfs/dbraw/zinc/85/18/05/371851805.db2.gz PTKVNRIUQDVVDK-QWHCGFSZSA-N 1 1 291.391 2.546 50 0 CFAAMO Cn1ccnc1[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000011735881 371926754 /nfs/dbraw/zinc/92/67/54/371926754.db2.gz UMAMSTMESQUSCO-JTQLQIEISA-N 1 1 256.136 2.775 50 0 CFAAMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000012436509 371964508 /nfs/dbraw/zinc/96/45/08/371964508.db2.gz TVRFABREAYQAQA-MJGOQNOKSA-N 1 1 295.382 2.709 50 0 CFAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](CC2CCCC2)C1 ZINC000012703609 371980771 /nfs/dbraw/zinc/98/07/71/371980771.db2.gz AIBXUOHFGCOFAN-QGZVFWFLSA-N 1 1 297.439 2.858 50 0 CFAAMO Cc1cc(NC(=O)C[NH+]2CCCC2)n(-c2ccccc2C)n1 ZINC000012886213 371993891 /nfs/dbraw/zinc/99/38/91/371993891.db2.gz OBKQUEBKMMBAIT-UHFFFAOYSA-N 1 1 298.390 2.523 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000013069468 372013342 /nfs/dbraw/zinc/01/33/42/372013342.db2.gz IHEMLVHFMUGUSJ-PHIMTYICSA-N 1 1 282.334 2.881 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000013069468 372013350 /nfs/dbraw/zinc/01/33/50/372013350.db2.gz IHEMLVHFMUGUSJ-PHIMTYICSA-N 1 1 282.334 2.881 50 0 CFAAMO Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000016662605 372116085 /nfs/dbraw/zinc/11/60/85/372116085.db2.gz ISTUQAOSELUPEK-UHFFFAOYSA-N 1 1 267.376 2.712 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000016662732 372116288 /nfs/dbraw/zinc/11/62/88/372116288.db2.gz GFERWCPUELFWDB-AWEZNQCLSA-N 1 1 253.386 2.842 50 0 CFAAMO Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)o1 ZINC000014200846 372064654 /nfs/dbraw/zinc/06/46/54/372064654.db2.gz CMKUDJDCCPOTJL-CQSZACIVSA-N 1 1 293.338 2.599 50 0 CFAAMO O=Cc1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000014628784 372070587 /nfs/dbraw/zinc/07/05/87/372070587.db2.gz WPPDDZDPBFYTTM-UHFFFAOYSA-N 1 1 298.361 2.960 50 0 CFAAMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000015261512 372081836 /nfs/dbraw/zinc/08/18/36/372081836.db2.gz HAORNFIYIXZFPZ-RYUDHWBXSA-N 1 1 266.410 2.800 50 0 CFAAMO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019721759 372180324 /nfs/dbraw/zinc/18/03/24/372180324.db2.gz GVHSMUYEAWMYLM-UHFFFAOYSA-N 1 1 276.380 2.739 50 0 CFAAMO CN1CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC000019536401 372173644 /nfs/dbraw/zinc/17/36/44/372173644.db2.gz GJDFNBFJNARFOE-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO C[N@@H+]1CCCN(Cc2cccc3ccccc32)CC1 ZINC000019536401 372173651 /nfs/dbraw/zinc/17/36/51/372173651.db2.gz GJDFNBFJNARFOE-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO C[N@H+]1CCCN(Cc2cccc3ccccc32)CC1 ZINC000019536401 372173657 /nfs/dbraw/zinc/17/36/57/372173657.db2.gz GJDFNBFJNARFOE-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO c1ccc2cc(OCCC[NH+]3CCOCC3)ccc2c1 ZINC000019607361 372177928 /nfs/dbraw/zinc/17/79/28/372177928.db2.gz QHPRQVUQAVCQSK-UHFFFAOYSA-N 1 1 271.360 2.941 50 0 CFAAMO C[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020118682 372233195 /nfs/dbraw/zinc/23/31/95/372233195.db2.gz UCRCOSPLMJUXIB-VXGBXAGGSA-N 1 1 269.772 2.828 50 0 CFAAMO Cc1cc(C[NH+]2CCN(c3ccccc3O)CC2)c(C)o1 ZINC000020541100 372239175 /nfs/dbraw/zinc/23/91/75/372239175.db2.gz MUPGYIBULFNGHW-UHFFFAOYSA-N 1 1 286.375 2.924 50 0 CFAAMO CCOCCOc1ccccc1C[NH2+]CCN(CC)CC ZINC000019737648 372183873 /nfs/dbraw/zinc/18/38/73/372183873.db2.gz VOQSCMJBNUJENC-UHFFFAOYSA-N 1 1 294.439 2.533 50 0 CFAAMO Cc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000019782458 372186173 /nfs/dbraw/zinc/18/61/73/372186173.db2.gz PPVDTNRHLCMVJZ-UHFFFAOYSA-N 1 1 274.408 2.685 50 0 CFAAMO CCCCc1ncc(CN2CCC[C@@H]([NH+]3CCCC3)C2)[nH]1 ZINC000022913848 372248840 /nfs/dbraw/zinc/24/88/40/372248840.db2.gz BPFOODCSZXZQPY-MRXNPFEDSA-N 1 1 290.455 2.813 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000023115121 372252592 /nfs/dbraw/zinc/25/25/92/372252592.db2.gz KPBJBDRGPFJSLV-LLVKDONJSA-N 1 1 273.298 2.910 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@@H](O)C2)c2ccccc12 ZINC000023282019 372255802 /nfs/dbraw/zinc/25/58/02/372255802.db2.gz IUVMYLWLZSPKMT-CQSZACIVSA-N 1 1 271.360 2.805 50 0 CFAAMO CC(C)c1cc(NC(=O)C[NH+]2CCCCCC2)on1 ZINC000024213164 372272405 /nfs/dbraw/zinc/27/24/05/372272405.db2.gz DYJWPPFADIJQET-UHFFFAOYSA-N 1 1 265.357 2.613 50 0 CFAAMO COC(=O)c1oc(C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000025910578 372310576 /nfs/dbraw/zinc/31/05/76/372310576.db2.gz XROUYNYOKLNPPF-UHFFFAOYSA-N 1 1 285.343 2.933 50 0 CFAAMO COC(=O)c1oc(C[N@H+]2CCc3ccccc3C2)cc1C ZINC000025910578 372310584 /nfs/dbraw/zinc/31/05/84/372310584.db2.gz XROUYNYOKLNPPF-UHFFFAOYSA-N 1 1 285.343 2.933 50 0 CFAAMO COc1ccc(-c2[nH+]c3cc(C)ccn3c2N)cc1 ZINC000026420597 372320177 /nfs/dbraw/zinc/32/01/77/372320177.db2.gz NEXQEGGSXWDIFD-UHFFFAOYSA-N 1 1 253.305 2.901 50 0 CFAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000028074543 372356706 /nfs/dbraw/zinc/35/67/06/372356706.db2.gz DOLYEASHNQWTHD-INIZCTEOSA-N 1 1 299.374 2.895 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000028074543 372356708 /nfs/dbraw/zinc/35/67/08/372356708.db2.gz DOLYEASHNQWTHD-INIZCTEOSA-N 1 1 299.374 2.895 50 0 CFAAMO CC[C@H](CNCc1ccc(NC(C)=O)cc1)[NH+]1CCCC1 ZINC000030902804 372401638 /nfs/dbraw/zinc/40/16/38/372401638.db2.gz UCCVQCZSEIQHDH-QGZVFWFLSA-N 1 1 289.423 2.609 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)C2CCC2)cc1 ZINC000028574836 372367761 /nfs/dbraw/zinc/36/77/61/372367761.db2.gz OOHXEYMUZZBVOF-UHFFFAOYSA-N 1 1 255.321 2.919 50 0 CFAAMO CC(C)Oc1cccc(C[NH2+]CCCN(C)C)c1 ZINC000032105912 372426522 /nfs/dbraw/zinc/42/65/22/372426522.db2.gz XXLOPSUGEUYVLR-UHFFFAOYSA-N 1 1 250.386 2.515 50 0 CFAAMO CCN1CCC[C@@H]([N@H+]2CCC[C@@H](CCCOC)C2)C1 ZINC000032500583 372441225 /nfs/dbraw/zinc/44/12/25/372441225.db2.gz NPFJQSFDXRVZQX-JKSUJKDBSA-N 1 1 268.445 2.609 50 0 CFAAMO Cc1nccnc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000032513715 372441477 /nfs/dbraw/zinc/44/14/77/372441477.db2.gz ZPYAUBXLCOFVBN-INIZCTEOSA-N 1 1 282.391 2.719 50 0 CFAAMO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000032754471 372459330 /nfs/dbraw/zinc/45/93/30/372459330.db2.gz AOVOPWNPNOZCCM-LBPRGKRZSA-N 1 1 274.364 2.950 50 0 CFAAMO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000032754471 372459338 /nfs/dbraw/zinc/45/93/38/372459338.db2.gz AOVOPWNPNOZCCM-LBPRGKRZSA-N 1 1 274.364 2.950 50 0 CFAAMO Cc1ccccc1C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000032788585 372463059 /nfs/dbraw/zinc/46/30/59/372463059.db2.gz JGFABYLTHYHGJN-KRWDZBQOSA-N 1 1 298.386 2.869 50 0 CFAAMO C[N@@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@@H](c2ccccc2)C1 ZINC000032819224 372466901 /nfs/dbraw/zinc/46/69/01/372466901.db2.gz WFOVYQVABSOZLJ-DOTOQJQBSA-N 1 1 284.403 2.858 50 0 CFAAMO C[N@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@@H](c2ccccc2)C1 ZINC000032819224 372466905 /nfs/dbraw/zinc/46/69/05/372466905.db2.gz WFOVYQVABSOZLJ-DOTOQJQBSA-N 1 1 284.403 2.858 50 0 CFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000032841566 372468658 /nfs/dbraw/zinc/46/86/58/372468658.db2.gz NNRPRULDKFZFFY-UHFFFAOYSA-N 1 1 284.359 2.546 50 0 CFAAMO CC(C)CC[N@H+]1CCN(Cc2ccsc2)C[C@H]1CCO ZINC000036385560 372576671 /nfs/dbraw/zinc/57/66/71/372576671.db2.gz FKRRBSWYRSWZAP-MRXNPFEDSA-N 1 1 296.480 2.663 50 0 CFAAMO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000035132969 372545858 /nfs/dbraw/zinc/54/58/58/372545858.db2.gz JCAKWLQYPIAYOL-JTQLQIEISA-N 1 1 254.761 2.515 50 0 CFAAMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1nccs1 ZINC000037136959 372653761 /nfs/dbraw/zinc/65/37/61/372653761.db2.gz MTWGAYRZZGTTKA-JTQLQIEISA-N 1 1 293.367 2.914 50 0 CFAAMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000037136959 372653767 /nfs/dbraw/zinc/65/37/67/372653767.db2.gz MTWGAYRZZGTTKA-JTQLQIEISA-N 1 1 293.367 2.914 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000037644249 372680770 /nfs/dbraw/zinc/68/07/70/372680770.db2.gz WTNLQOYWLBWMMW-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1ccc(CNC[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000037644249 372680777 /nfs/dbraw/zinc/68/07/77/372680777.db2.gz WTNLQOYWLBWMMW-OAHLLOKOSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000042684505 372946521 /nfs/dbraw/zinc/94/65/21/372946521.db2.gz TUKGCVNJUUPUEN-HNNXBMFYSA-N 1 1 261.365 2.994 50 0 CFAAMO CN(Cc1cnc2ccccc2c1)C[C@@H]1CCC[N@H+]1C ZINC000243893458 189906186 /nfs/dbraw/zinc/90/61/86/189906186.db2.gz ARLXGUGZQDZAMI-INIZCTEOSA-N 1 1 269.392 2.761 50 0 CFAAMO CCOc1ccc([C@H](C)[N@@H+](C)CCN2CCCC2=O)cc1 ZINC000244678944 189908691 /nfs/dbraw/zinc/90/86/91/189908691.db2.gz IMVXEYWGGMEICE-AWEZNQCLSA-N 1 1 290.407 2.701 50 0 CFAAMO Cc1nc(CCN(C)CC[N@@H+](C)C2CCCC2)cs1 ZINC000244724625 189910532 /nfs/dbraw/zinc/91/05/32/189910532.db2.gz MXOIKXVIIJQIFP-UHFFFAOYSA-N 1 1 281.469 2.800 50 0 CFAAMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)on1 ZINC000048301134 373161384 /nfs/dbraw/zinc/16/13/84/373161384.db2.gz SOSBRFQRJPEUCK-JTQLQIEISA-N 1 1 293.754 2.926 50 0 CFAAMO CCOC(=O)C1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000047915526 373130206 /nfs/dbraw/zinc/13/02/06/373130206.db2.gz GYJJZELKILMFTL-UHFFFAOYSA-N 1 1 295.354 2.609 50 0 CFAAMO CSc1ccc(C[NH+]2CC(c3nc(C)no3)C2)cc1 ZINC000049482514 373304657 /nfs/dbraw/zinc/30/46/57/373304657.db2.gz AJYNUUVMUMDUQL-UHFFFAOYSA-N 1 1 275.377 2.699 50 0 CFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000049752488 373316176 /nfs/dbraw/zinc/31/61/76/373316176.db2.gz NBKCWMUYCLRWET-LBPRGKRZSA-N 1 1 278.377 2.750 50 0 CFAAMO OC[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000049752488 373316185 /nfs/dbraw/zinc/31/61/85/373316185.db2.gz NBKCWMUYCLRWET-LBPRGKRZSA-N 1 1 278.377 2.750 50 0 CFAAMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000052908505 373455933 /nfs/dbraw/zinc/45/59/33/373455933.db2.gz XGWOXGMSBFNJAW-UHFFFAOYSA-N 1 1 271.364 2.688 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)no1 ZINC000053398423 373477005 /nfs/dbraw/zinc/47/70/05/373477005.db2.gz PPJLNDDBIVSQRI-OAHLLOKOSA-N 1 1 285.347 2.759 50 0 CFAAMO CC(C)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000053907116 373489049 /nfs/dbraw/zinc/48/90/49/373489049.db2.gz YICCGTADQJPFAE-UHFFFAOYSA-N 1 1 262.397 2.611 50 0 CFAAMO c1ccc(CN2CCC([NH2+]Cc3ccccn3)CC2)cc1 ZINC000058014875 373622909 /nfs/dbraw/zinc/62/29/09/373622909.db2.gz MJMMSAMDGASLJJ-UHFFFAOYSA-N 1 1 281.403 2.836 50 0 CFAAMO COC(=O)CC[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000058162362 373629483 /nfs/dbraw/zinc/62/94/83/373629483.db2.gz NAOJNJVXTYPUHO-UHFFFAOYSA-N 1 1 279.380 2.716 50 0 CFAAMO CC[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058265257 373639384 /nfs/dbraw/zinc/63/93/84/373639384.db2.gz YRRYCOUBMRQLGX-OFQRWUPVSA-N 1 1 274.408 2.984 50 0 CFAAMO CC(C)n1nccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000058323420 373644884 /nfs/dbraw/zinc/64/48/84/373644884.db2.gz OVNAEEBHLNUHLG-UHFFFAOYSA-N 1 1 286.379 2.535 50 0 CFAAMO CC(C)n1nccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000058323420 373644887 /nfs/dbraw/zinc/64/48/87/373644887.db2.gz OVNAEEBHLNUHLG-UHFFFAOYSA-N 1 1 286.379 2.535 50 0 CFAAMO CC[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000058341794 373648716 /nfs/dbraw/zinc/64/87/16/373648716.db2.gz VRWOMHVOTDXUAX-AWEZNQCLSA-N 1 1 290.407 2.546 50 0 CFAAMO Cc1occc1C[NH2+]Cc1c(C(C)C)nn(C)c1N(C)C ZINC000058427977 373656988 /nfs/dbraw/zinc/65/69/88/373656988.db2.gz ROUAALNBPZNWEL-UHFFFAOYSA-N 1 1 290.411 2.801 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc2ccccc21 ZINC000060343613 373691497 /nfs/dbraw/zinc/69/14/97/373691497.db2.gz LPZXSCSDEGYQHR-MRXNPFEDSA-N 1 1 295.386 2.529 50 0 CFAAMO COC(=O)CCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000062015334 373742547 /nfs/dbraw/zinc/74/25/47/373742547.db2.gz QQZRIHOSSPOWGO-LLVKDONJSA-N 1 1 253.317 2.772 50 0 CFAAMO Cc1cccc(C(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000065474683 373878294 /nfs/dbraw/zinc/87/82/94/373878294.db2.gz SRUMRRWZVWUMPF-UHFFFAOYSA-N 1 1 260.381 2.551 50 0 CFAAMO C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(-n2cccn2)cc1 ZINC000065503041 373880304 /nfs/dbraw/zinc/88/03/04/373880304.db2.gz FBBQMRCQTBCNFL-UHFFFAOYSA-N 1 1 297.358 2.590 50 0 CFAAMO Cc1ccnc(NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)c1 ZINC000065512340 373882451 /nfs/dbraw/zinc/88/24/51/373882451.db2.gz WEUHTPRKJWJTJB-INIZCTEOSA-N 1 1 282.391 2.719 50 0 CFAAMO Cc1c(C[NH+]2CCC(C)CC2)nnn1-c1ccccc1 ZINC000065239694 373850115 /nfs/dbraw/zinc/85/01/15/373850115.db2.gz WBBLZECKXMKWKI-UHFFFAOYSA-N 1 1 270.380 2.808 50 0 CFAAMO CCc1[nH+]ccn1Cc1nc(-c2ccc(C)cc2)no1 ZINC000065224648 373850131 /nfs/dbraw/zinc/85/01/31/373850131.db2.gz XFLCFQCBSAUXTH-UHFFFAOYSA-N 1 1 268.320 2.852 50 0 CFAAMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc2nonc21 ZINC000065405249 373865973 /nfs/dbraw/zinc/86/59/73/373865973.db2.gz IJIWEBKXHXHXLQ-NSHDSACASA-N 1 1 268.320 2.811 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CCCC[C@H]2CO)c1C ZINC000065418922 373868397 /nfs/dbraw/zinc/86/83/97/373868397.db2.gz JJCBAQBOOSDMAT-HNNXBMFYSA-N 1 1 263.381 2.529 50 0 CFAAMO CCOc1ccc(CN(C)C[C@@]2(C)CC[N@@H+](C)C2)cc1 ZINC000065456076 373872591 /nfs/dbraw/zinc/87/25/91/373872591.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 1 1 276.424 2.859 50 0 CFAAMO CCOc1ccc(C[N@H+](C)C[C@@]2(C)CCN(C)C2)cc1 ZINC000065456076 373872612 /nfs/dbraw/zinc/87/26/12/373872612.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 1 1 276.424 2.859 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)C[C@@]2(C)CCN(C)C2)cc1 ZINC000065456076 373872615 /nfs/dbraw/zinc/87/26/15/373872615.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 1 1 276.424 2.859 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccco1 ZINC000066405515 373930275 /nfs/dbraw/zinc/93/02/75/373930275.db2.gz DOENIXQLBWKQEH-QWHCGFSZSA-N 1 1 264.369 2.721 50 0 CFAAMO Cc1cc(O)cc(C)c1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000067724293 373996482 /nfs/dbraw/zinc/99/64/82/373996482.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 1 1 288.435 2.927 50 0 CFAAMO Cc1cc(O)cc(C)c1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000067724293 373996495 /nfs/dbraw/zinc/99/64/95/373996495.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 1 1 288.435 2.927 50 0 CFAAMO Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000067724293 373996499 /nfs/dbraw/zinc/99/64/99/373996499.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 1 1 288.435 2.927 50 0 CFAAMO Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000067724293 373996508 /nfs/dbraw/zinc/99/65/08/373996508.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 1 1 288.435 2.927 50 0 CFAAMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CC=CCC3)cc2c1 ZINC000067879594 374013623 /nfs/dbraw/zinc/01/36/23/374013623.db2.gz YQCSXKBERBNECC-UHFFFAOYSA-N 1 1 284.359 2.689 50 0 CFAAMO Cc1cnc(C)c(N2CCC3(CC2)CCC[N@H+](C)CC3)n1 ZINC000067934921 374014836 /nfs/dbraw/zinc/01/48/36/374014836.db2.gz ZAPIBNQWCUKHTA-UHFFFAOYSA-N 1 1 288.439 2.796 50 0 CFAAMO C=Cc1cccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000067674204 373989924 /nfs/dbraw/zinc/98/99/24/373989924.db2.gz FVCHJIWWQZZSMQ-KRWDZBQOSA-N 1 1 256.393 2.905 50 0 CFAAMO CCCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069598478 374078032 /nfs/dbraw/zinc/07/80/32/374078032.db2.gz JXCQZWLPAWVAEA-INIZCTEOSA-N 1 1 289.423 2.743 50 0 CFAAMO CCCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069598478 374078038 /nfs/dbraw/zinc/07/80/38/374078038.db2.gz JXCQZWLPAWVAEA-INIZCTEOSA-N 1 1 289.423 2.743 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000069599058 374078563 /nfs/dbraw/zinc/07/85/63/374078563.db2.gz YMQDHCHTEKPRHO-CABCVRRESA-N 1 1 276.355 2.525 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000069665635 374083463 /nfs/dbraw/zinc/08/34/63/374083463.db2.gz GWUZWUIJBSVWRX-UHFFFAOYSA-N 1 1 282.334 2.523 50 0 CFAAMO CC(C)(C)[C@@H](O)C[NH+]1CCN(CC2CCCCC2)CC1 ZINC000069627807 374080781 /nfs/dbraw/zinc/08/07/81/374080781.db2.gz AUXNMCHUNKTRFJ-INIZCTEOSA-N 1 1 282.472 2.591 50 0 CFAAMO C([C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1)N1CCCCC1 ZINC000069078356 374045285 /nfs/dbraw/zinc/04/52/85/374045285.db2.gz JDBPKYNBHDYTNL-HOTGVXAUSA-N 1 1 266.429 2.506 50 0 CFAAMO C([C@@H]1CCCN1C[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC000069078356 374045288 /nfs/dbraw/zinc/04/52/88/374045288.db2.gz JDBPKYNBHDYTNL-HOTGVXAUSA-N 1 1 266.429 2.506 50 0 CFAAMO CN1CC[N@@H+](CCc2ccncc2)Cc2ccccc21 ZINC000069090703 374047217 /nfs/dbraw/zinc/04/72/17/374047217.db2.gz MRMAARNKPHYIKO-UHFFFAOYSA-N 1 1 267.376 2.576 50 0 CFAAMO CC(C)C[N@@H+](CC(=O)N[C@@H](C)c1ccco1)C1CC1 ZINC000069322029 374053698 /nfs/dbraw/zinc/05/36/98/374053698.db2.gz CRQMEQCQWGRRKN-LBPRGKRZSA-N 1 1 264.369 2.577 50 0 CFAAMO CCc1noc(C[N@H+](C2CC2)C2Cc3ccccc3C2)n1 ZINC000069509064 374069853 /nfs/dbraw/zinc/06/98/53/374069853.db2.gz MWWSSJOOGVVSKQ-UHFFFAOYSA-N 1 1 283.375 2.764 50 0 CFAAMO CCc1noc(C[N@@H+](C2CC2)C2Cc3ccccc3C2)n1 ZINC000069509064 374069860 /nfs/dbraw/zinc/06/98/60/374069860.db2.gz MWWSSJOOGVVSKQ-UHFFFAOYSA-N 1 1 283.375 2.764 50 0 CFAAMO NC(=O)c1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000069520133 374069952 /nfs/dbraw/zinc/06/99/52/374069952.db2.gz LXAIHXZZWAANNW-QGZVFWFLSA-N 1 1 280.371 2.775 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000069951058 374111122 /nfs/dbraw/zinc/11/11/22/374111122.db2.gz VUJNITCHSFCSGP-GJZGRUSLSA-N 1 1 292.448 2.766 50 0 CFAAMO CCC(=O)N1CCC[N@@H+](CCc2ccc(CC)cc2)CC1 ZINC000069967434 374111439 /nfs/dbraw/zinc/11/14/39/374111439.db2.gz AWOJLBJPZGKWSD-UHFFFAOYSA-N 1 1 288.435 2.736 50 0 CFAAMO c1cnn(CC[NH2+]Cc2csc(C3CCCC3)n2)c1 ZINC000070037334 374117081 /nfs/dbraw/zinc/11/70/81/374117081.db2.gz SCZMSTGALGOAIA-UHFFFAOYSA-N 1 1 276.409 2.787 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2c(C)noc2C)c1 ZINC000070040806 374119880 /nfs/dbraw/zinc/11/98/80/374119880.db2.gz YESADRWKWXJXHD-OAHLLOKOSA-N 1 1 288.395 2.851 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069654229 374083679 /nfs/dbraw/zinc/08/36/79/374083679.db2.gz KQYKDJGMALWGDI-HOTGVXAUSA-N 1 1 290.382 2.915 50 0 CFAAMO CCCCCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701430 374087063 /nfs/dbraw/zinc/08/70/63/374087063.db2.gz BTJXFBMXFSVPAV-INIZCTEOSA-N 1 1 274.408 2.782 50 0 CFAAMO COc1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000069744835 374093833 /nfs/dbraw/zinc/09/38/33/374093833.db2.gz FZWZOCAXIDIRCR-UHFFFAOYSA-N 1 1 299.296 2.744 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000069814133 374099974 /nfs/dbraw/zinc/09/99/74/374099974.db2.gz LBYAHKCQUBZAAZ-XHSDSOJGSA-N 1 1 276.424 2.818 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000069809020 374101007 /nfs/dbraw/zinc/10/10/07/374101007.db2.gz HNUMRZITIUITSL-UHFFFAOYSA-N 1 1 284.762 2.647 50 0 CFAAMO CCOCCN1CC[N@@H+](CC2CCCC2)C[C@H]1CC ZINC000069844738 374104411 /nfs/dbraw/zinc/10/44/11/374104411.db2.gz NWTMRJMFNMALCO-MRXNPFEDSA-N 1 1 268.445 2.609 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000069872641 374104525 /nfs/dbraw/zinc/10/45/25/374104525.db2.gz OTPTWPIXQSANLT-CQSZACIVSA-N 1 1 287.363 2.581 50 0 CFAAMO c1cnn(C[C@H]2CCC[N@@H+]2CCc2cccs2)c1 ZINC000069878409 374106928 /nfs/dbraw/zinc/10/69/28/374106928.db2.gz BXIXGWRGPWAQOT-CYBMUJFWSA-N 1 1 261.394 2.652 50 0 CFAAMO CC(C)C[C@H](C)[N@@H+](C)Cc1nc(-c2ccncc2)no1 ZINC000069879173 374107178 /nfs/dbraw/zinc/10/71/78/374107178.db2.gz FOGKWRHXRVVJOJ-LBPRGKRZSA-N 1 1 274.368 2.998 50 0 CFAAMO CCCC[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000070946454 374207505 /nfs/dbraw/zinc/20/75/05/374207505.db2.gz ZCXPYKDHBGNJSG-UHFFFAOYSA-N 1 1 264.369 2.756 50 0 CFAAMO CC(C)c1[nH+]ccn1CCCn1nnc2ccccc21 ZINC000071753381 374222085 /nfs/dbraw/zinc/22/20/85/374222085.db2.gz ANAXGBNXKPYSNU-UHFFFAOYSA-N 1 1 269.352 2.842 50 0 CFAAMO O=c1oc2cc(Cl)ccc2n1C[N@@H+]1CCCSCC1 ZINC000071817127 374227845 /nfs/dbraw/zinc/22/78/45/374227845.db2.gz RKIAMLWHAXSYHW-UHFFFAOYSA-N 1 1 298.795 2.644 50 0 CFAAMO O=c1oc2cc(Cl)ccc2n1C[N@H+]1CCCSCC1 ZINC000071817127 374227851 /nfs/dbraw/zinc/22/78/51/374227851.db2.gz RKIAMLWHAXSYHW-UHFFFAOYSA-N 1 1 298.795 2.644 50 0 CFAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875809 374228392 /nfs/dbraw/zinc/22/83/92/374228392.db2.gz PGDHPIMOZYMZKP-MRXNPFEDSA-N 1 1 295.390 2.504 50 0 CFAAMO C[N@H+](Cc1ccoc1)C[C@H]1CC[C@@H](Cc2ccncc2)O1 ZINC000072459103 374255824 /nfs/dbraw/zinc/25/58/24/374255824.db2.gz LPZYRFRQGLVXJU-DLBZAZTESA-N 1 1 286.375 2.897 50 0 CFAAMO Cc1ccc[nH+]c1NCCn1ccnc1-c1ccncc1 ZINC000072476715 374256463 /nfs/dbraw/zinc/25/64/63/374256463.db2.gz MUEZIHAKIKPRRN-UHFFFAOYSA-N 1 1 279.347 2.761 50 0 CFAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2[C@@H](C)c2cccnc2)n1 ZINC000072253265 374237429 /nfs/dbraw/zinc/23/74/29/374237429.db2.gz ADJDLQBEQVLNMY-BLLLJJGKSA-N 1 1 285.395 2.516 50 0 CFAAMO CCOCC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1Cl ZINC000072267590 374238480 /nfs/dbraw/zinc/23/84/80/374238480.db2.gz DRVBXPKAVSHYNE-NSHDSACASA-N 1 1 271.792 2.555 50 0 CFAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC=C(C)C ZINC000072268709 374238683 /nfs/dbraw/zinc/23/86/83/374238683.db2.gz DZVJMNFDOUSEJV-CABCVRRESA-N 1 1 264.413 2.818 50 0 CFAAMO Cc1nc(C(C)(C)[NH2+]CC(=O)NCC2CCC2)sc1C ZINC000072866375 374293624 /nfs/dbraw/zinc/29/36/24/374293624.db2.gz ZSSBPEORZKBRFP-UHFFFAOYSA-N 1 1 295.452 2.501 50 0 CFAAMO Cc1ccc(F)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000075130802 374459030 /nfs/dbraw/zinc/45/90/30/374459030.db2.gz NJEGENOMMFBMHD-HOTGVXAUSA-N 1 1 290.382 2.833 50 0 CFAAMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000075839264 374506548 /nfs/dbraw/zinc/50/65/48/374506548.db2.gz KXZOWQMUCKZNNR-DAXOMENPSA-N 1 1 288.391 2.594 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000075839264 374506554 /nfs/dbraw/zinc/50/65/54/374506554.db2.gz KXZOWQMUCKZNNR-DAXOMENPSA-N 1 1 288.391 2.594 50 0 CFAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccco2)C1 ZINC000076068840 374529075 /nfs/dbraw/zinc/52/90/75/374529075.db2.gz DSYZUKPBTYFZLS-TZMCWYRMSA-N 1 1 296.436 2.502 50 0 CFAAMO Cc1cc[nH+]c(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077505673 374564779 /nfs/dbraw/zinc/56/47/79/374564779.db2.gz VFUIMNCJBPLBSZ-SFHVURJKSA-N 1 1 299.418 2.761 50 0 CFAAMO Cc1cnc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cn1 ZINC000079014147 374582328 /nfs/dbraw/zinc/58/23/28/374582328.db2.gz YIMYFPIOJOCEGQ-GOSISDBHSA-N 1 1 296.418 2.886 50 0 CFAAMO OCCCCC[N@H+]1CCC[C@@H]1COc1ccccc1 ZINC000079100117 374594183 /nfs/dbraw/zinc/59/41/83/374594183.db2.gz KPAQVBHNGKHGHO-OAHLLOKOSA-N 1 1 263.381 2.692 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000079091029 374594568 /nfs/dbraw/zinc/59/45/68/374594568.db2.gz PDIKPKOZZQFSRM-LBPRGKRZSA-N 1 1 254.761 2.593 50 0 CFAAMO COc1cccc([C@H](C)[N@H+](C)Cc2cnccn2)c1 ZINC000079438579 374612368 /nfs/dbraw/zinc/61/23/68/374612368.db2.gz GSXXEGUSYWVFOS-LBPRGKRZSA-N 1 1 257.337 2.678 50 0 CFAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2cnccn2)c1 ZINC000079438579 374612374 /nfs/dbraw/zinc/61/23/74/374612374.db2.gz GSXXEGUSYWVFOS-LBPRGKRZSA-N 1 1 257.337 2.678 50 0 CFAAMO C[N@@H+]1CCN(Cc2cscn2)[C@H](c2ccccc2)C1 ZINC000089382544 374897767 /nfs/dbraw/zinc/89/77/67/374897767.db2.gz ZFKZYMPLURVIDK-HNNXBMFYSA-N 1 1 273.405 2.632 50 0 CFAAMO C[N@H+]1CCN(Cc2cscn2)[C@H](c2ccccc2)C1 ZINC000089382544 374897777 /nfs/dbraw/zinc/89/77/77/374897777.db2.gz ZFKZYMPLURVIDK-HNNXBMFYSA-N 1 1 273.405 2.632 50 0 CFAAMO C[N@@H+]1CCN(C(=O)c2ccsc2)c2ccccc2C1 ZINC000089382906 374898777 /nfs/dbraw/zinc/89/87/77/374898777.db2.gz XRDYLRDPAMPNHY-UHFFFAOYSA-N 1 1 272.373 2.840 50 0 CFAAMO C[N@H+]1CCN(C(=O)c2ccsc2)c2ccccc2C1 ZINC000089382906 374898779 /nfs/dbraw/zinc/89/87/79/374898779.db2.gz XRDYLRDPAMPNHY-UHFFFAOYSA-N 1 1 272.373 2.840 50 0 CFAAMO O=C(OC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000089834890 374959802 /nfs/dbraw/zinc/95/98/02/374959802.db2.gz MTTRBUKCMMNGSD-MRXNPFEDSA-N 1 1 296.370 2.761 50 0 CFAAMO C[N@H+](Cc1nccn1Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000089906195 374966833 /nfs/dbraw/zinc/96/68/33/374966833.db2.gz KTAROAHTJXIZDY-IRXDYDNUSA-N 1 1 299.418 2.667 50 0 CFAAMO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000089906195 374966836 /nfs/dbraw/zinc/96/68/36/374966836.db2.gz KTAROAHTJXIZDY-IRXDYDNUSA-N 1 1 299.418 2.667 50 0 CFAAMO COc1cccc([C@@H]2C[N@H+](CCc3ccncc3)CCO2)c1 ZINC000089469939 374911853 /nfs/dbraw/zinc/91/18/53/374911853.db2.gz MWVKGBSQLNIQEM-SFHVURJKSA-N 1 1 298.386 2.706 50 0 CFAAMO COc1cccc([C@@H]2C[N@@H+](CCc3ccncc3)CCO2)c1 ZINC000089469939 374911857 /nfs/dbraw/zinc/91/18/57/374911857.db2.gz MWVKGBSQLNIQEM-SFHVURJKSA-N 1 1 298.386 2.706 50 0 CFAAMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1oc(=O)oc1C ZINC000089943659 374974686 /nfs/dbraw/zinc/97/46/86/374974686.db2.gz YFMGIKOONDQLQV-AWEZNQCLSA-N 1 1 275.348 2.994 50 0 CFAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000089937918 374973193 /nfs/dbraw/zinc/97/31/93/374973193.db2.gz PRQGLDNJLOLKDT-CQSZACIVSA-N 1 1 299.418 2.653 50 0 CFAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000089937918 374973196 /nfs/dbraw/zinc/97/31/96/374973196.db2.gz PRQGLDNJLOLKDT-CQSZACIVSA-N 1 1 299.418 2.653 50 0 CFAAMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1cccnc1 ZINC000092741249 375145748 /nfs/dbraw/zinc/14/57/48/375145748.db2.gz AYDBGLILBYPDJA-AWEZNQCLSA-N 1 1 261.413 2.997 50 0 CFAAMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1cccnc1 ZINC000092741249 375145754 /nfs/dbraw/zinc/14/57/54/375145754.db2.gz AYDBGLILBYPDJA-AWEZNQCLSA-N 1 1 261.413 2.997 50 0 CFAAMO COCc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000092967492 375171030 /nfs/dbraw/zinc/17/10/30/375171030.db2.gz AJSDRKFONZKWNQ-KRWDZBQOSA-N 1 1 285.391 2.867 50 0 CFAAMO CCC[C@@]1(CC(=O)N2CC[NH+](C)CC2)CCOC(C)(C)C1 ZINC000095477733 375459974 /nfs/dbraw/zinc/45/99/74/375459974.db2.gz JDZCKBBKANPXES-KRWDZBQOSA-N 1 1 296.455 2.526 50 0 CFAAMO Cc1ccnc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000095503970 375461643 /nfs/dbraw/zinc/46/16/43/375461643.db2.gz YFTKOPBLTMPCOQ-OAHLLOKOSA-N 1 1 297.406 2.776 50 0 CFAAMO Cc1n[nH]cc1C[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095522730 375461783 /nfs/dbraw/zinc/46/17/83/375461783.db2.gz QYPLVBXOVZSWDT-CQSZACIVSA-N 1 1 285.391 2.791 50 0 CFAAMO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095522730 375461787 /nfs/dbraw/zinc/46/17/87/375461787.db2.gz QYPLVBXOVZSWDT-CQSZACIVSA-N 1 1 285.391 2.791 50 0 CFAAMO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095522730 375461793 /nfs/dbraw/zinc/46/17/93/375461793.db2.gz QYPLVBXOVZSWDT-CQSZACIVSA-N 1 1 285.391 2.791 50 0 CFAAMO CSCc1noc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000096166641 375473303 /nfs/dbraw/zinc/47/33/03/375473303.db2.gz PIYHOJFCCLJFKU-JTQLQIEISA-N 1 1 255.387 2.520 50 0 CFAAMO Cc1cc(N2CCC[C@H](c3nccs3)C2)nc(C)[nH+]1 ZINC000095994705 375466218 /nfs/dbraw/zinc/46/62/18/375466218.db2.gz HGTKLMSURAFKEN-LBPRGKRZSA-N 1 1 274.393 2.934 50 0 CFAAMO CCOCC[N@@H+](C)Cc1cnc2ccsc2c1 ZINC000095999379 375466868 /nfs/dbraw/zinc/46/68/68/375466868.db2.gz XFNQFIDWRUQPLX-UHFFFAOYSA-N 1 1 250.367 2.765 50 0 CFAAMO CCC1CCC(CNC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000095351220 375417641 /nfs/dbraw/zinc/41/76/41/375417641.db2.gz OHPXECZGUNJMPK-UYSNPLJNSA-N 1 1 295.471 2.796 50 0 CFAAMO Cc1ccc([C@H](C(=O)NC(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000095361293 375419502 /nfs/dbraw/zinc/41/95/02/375419502.db2.gz FLZKGOWZNOZDHQ-QGZVFWFLSA-N 1 1 286.419 2.903 50 0 CFAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000095374111 375423062 /nfs/dbraw/zinc/42/30/62/375423062.db2.gz OJRPJYDDUOUIHX-ZWKOTPCHSA-N 1 1 285.435 2.944 50 0 CFAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000095374111 375423068 /nfs/dbraw/zinc/42/30/68/375423068.db2.gz OJRPJYDDUOUIHX-ZWKOTPCHSA-N 1 1 285.435 2.944 50 0 CFAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000095374111 375423076 /nfs/dbraw/zinc/42/30/76/375423076.db2.gz OJRPJYDDUOUIHX-ZWKOTPCHSA-N 1 1 285.435 2.944 50 0 CFAAMO CC(C)n1cc[nH+]c1C1CCN(c2cnccn2)CC1 ZINC000095376709 375425605 /nfs/dbraw/zinc/42/56/05/375425605.db2.gz VZZQAIULHXPDIT-UHFFFAOYSA-N 1 1 271.368 2.638 50 0 CFAAMO Cc1ccc([C@H](C)CC[N@H+]2CCc3nc[nH]c3C2)o1 ZINC000095387209 375429156 /nfs/dbraw/zinc/42/91/56/375429156.db2.gz CTNLLRREMKGLJS-LLVKDONJSA-N 1 1 259.353 2.863 50 0 CFAAMO COc1ccc([C@H](C)[NH2+]Cc2nncn2C)c2ccccc12 ZINC000095420200 375440547 /nfs/dbraw/zinc/44/05/47/375440547.db2.gz URUCHUXSWOOMKT-LBPRGKRZSA-N 1 1 296.374 2.828 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NCc2ncc[nH]2)cc1F ZINC000095428752 375445663 /nfs/dbraw/zinc/44/56/63/375445663.db2.gz LJHFXLVLMAWTJW-UHFFFAOYSA-N 1 1 271.299 2.655 50 0 CFAAMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1cnn(C)c1 ZINC000095451034 375454969 /nfs/dbraw/zinc/45/49/69/375454969.db2.gz DQPRTEYPJSEVEG-UWVGGRQHSA-N 1 1 276.409 2.777 50 0 CFAAMO Cc1ncccc1CN1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000097143340 375530414 /nfs/dbraw/zinc/53/04/14/375530414.db2.gz IPQICQRSWFUGBK-INIZCTEOSA-N 1 1 296.418 2.664 50 0 CFAAMO Cc1nc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)cs1 ZINC000097159962 375533527 /nfs/dbraw/zinc/53/35/27/375533527.db2.gz YVEMBDONDKHVBM-UHFFFAOYSA-N 1 1 299.403 2.537 50 0 CFAAMO Cc1cccc(N2CCC(c3cnn(C)c3)CC2)[nH+]1 ZINC000097163279 375535748 /nfs/dbraw/zinc/53/57/48/375535748.db2.gz VCWNAOXMCQVZBZ-UHFFFAOYSA-N 1 1 256.353 2.508 50 0 CFAAMO Cc1cc(C)n2ncc(C[N@H+](C)C3CCSCC3)c2n1 ZINC000097217341 375540757 /nfs/dbraw/zinc/54/07/57/375540757.db2.gz WLIITBIPYHIDGO-UHFFFAOYSA-N 1 1 290.436 2.674 50 0 CFAAMO CC/C=C(\C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000096443939 375487596 /nfs/dbraw/zinc/48/75/96/375487596.db2.gz YCGMPHXTWRYMTJ-UOTLJSKWSA-N 1 1 264.413 2.816 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1nc2c(cccc2F)[nH]1 ZINC000097051084 375504617 /nfs/dbraw/zinc/50/46/17/375504617.db2.gz RMQOLFWAYXLSFT-UHFFFAOYSA-N 1 1 284.338 2.772 50 0 CFAAMO CN(C)Cc1ccc(C[NH2+][C@H]2CCCSC2)cc1F ZINC000097084665 375512411 /nfs/dbraw/zinc/51/24/11/375512411.db2.gz GWPNRFVHWXOCKK-AWEZNQCLSA-N 1 1 282.428 2.873 50 0 CFAAMO c1cc2c(cccc2C[N@H+]2CCCC3(C2)OCCO3)[nH]1 ZINC000097139041 375527325 /nfs/dbraw/zinc/52/73/25/375527325.db2.gz OICHCHCYOXAPLT-UHFFFAOYSA-N 1 1 272.348 2.507 50 0 CFAAMO c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4ccncn4)C3)nc2c1 ZINC000097301411 375548777 /nfs/dbraw/zinc/54/87/77/375548777.db2.gz OIAPIOAUWRSFME-ZDUSSCGKSA-N 1 1 293.374 2.733 50 0 CFAAMO c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4ccncn4)C3)nc2c1 ZINC000097301411 375548783 /nfs/dbraw/zinc/54/87/83/375548783.db2.gz OIAPIOAUWRSFME-ZDUSSCGKSA-N 1 1 293.374 2.733 50 0 CFAAMO CCc1nc2sccc2c(NCCc2c[nH+]cn2C)n1 ZINC000097373498 375553917 /nfs/dbraw/zinc/55/39/17/375553917.db2.gz BVYCWUFJYLNPSI-UHFFFAOYSA-N 1 1 287.392 2.642 50 0 CFAAMO CC(C)CC[N@@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000097493241 375566783 /nfs/dbraw/zinc/56/67/83/375566783.db2.gz DEAWLUFTJRZCFD-CQSZACIVSA-N 1 1 254.418 2.611 50 0 CFAAMO CSc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000097553145 375568933 /nfs/dbraw/zinc/56/89/33/375568933.db2.gz MMFLLIOPJJSDAV-UHFFFAOYSA-N 1 1 288.420 2.906 50 0 CFAAMO Cc1ccc([C@H](C)CC[N@H+](C)Cc2nnc(C)o2)o1 ZINC000097729659 375582724 /nfs/dbraw/zinc/58/27/24/375582724.db2.gz GALBFGYXEAYGLQ-SNVBAGLBSA-N 1 1 263.341 2.905 50 0 CFAAMO Cc1ccc([C@H](C)CC[N@@H+](C)Cc2nnc(C)o2)o1 ZINC000097729659 375582727 /nfs/dbraw/zinc/58/27/27/375582727.db2.gz GALBFGYXEAYGLQ-SNVBAGLBSA-N 1 1 263.341 2.905 50 0 CFAAMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000106865460 375803466 /nfs/dbraw/zinc/80/34/66/375803466.db2.gz BCLLHURIICTNQZ-WMLDXEAASA-N 1 1 285.391 2.608 50 0 CFAAMO COC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000108477625 375816852 /nfs/dbraw/zinc/81/68/52/375816852.db2.gz WRLCGEFUOINNKD-ZBFHGGJFSA-N 1 1 291.391 2.568 50 0 CFAAMO c1nc(C[N@H+]2CC[C@]3(CCOC3)C2)oc1-c1ccccc1 ZINC000153574648 378498577 /nfs/dbraw/zinc/49/85/77/378498577.db2.gz SZYXUDXOPHJKAG-KRWDZBQOSA-N 1 1 284.359 2.954 50 0 CFAAMO Cc1cccc(NCc2ccc(S(C)(=O)=O)c(C)c2)[nH+]1 ZINC000157989775 378662554 /nfs/dbraw/zinc/66/25/54/378662554.db2.gz NHIHKXRYSKGJJS-UHFFFAOYSA-N 1 1 290.388 2.714 50 0 CFAAMO C[C@H](CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499333 194013686 /nfs/dbraw/zinc/01/36/86/194013686.db2.gz NGHNZZFELNBHNY-GDBMZVCRSA-N 1 1 295.448 2.689 50 0 CFAAMO NC(=O)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000048343295 412901846 /nfs/dbraw/zinc/90/18/46/412901846.db2.gz GHHQACWNOKAFCK-UHFFFAOYSA-N 1 1 286.297 2.545 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000170617588 379130988 /nfs/dbraw/zinc/13/09/88/379130988.db2.gz XWIBCLLRUOHOSS-CXAGYDPISA-N 1 1 251.395 2.526 50 0 CFAAMO Cc1csc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)n1 ZINC000048707832 412915732 /nfs/dbraw/zinc/91/57/32/412915732.db2.gz ZOPSRZKMQSTPSQ-UHFFFAOYSA-N 1 1 264.398 2.762 50 0 CFAAMO CC(C)[C@@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000049077664 412933331 /nfs/dbraw/zinc/93/33/31/412933331.db2.gz OYEFINTWAXMMBW-AWEZNQCLSA-N 1 1 271.364 2.544 50 0 CFAAMO c1n[nH]c2cc(CC[NH2+]Cc3ccccc3)ccc12 ZINC000341273573 380889492 /nfs/dbraw/zinc/88/94/92/380889492.db2.gz QEFVVHSLARUNBI-UHFFFAOYSA-N 1 1 251.333 2.895 50 0 CFAAMO C=CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000408525925 380941939 /nfs/dbraw/zinc/94/19/39/380941939.db2.gz QDCMTSNREPSPKI-DLBZAZTESA-N 1 1 284.403 2.686 50 0 CFAAMO C=CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000408525927 380942088 /nfs/dbraw/zinc/94/20/88/380942088.db2.gz QDCMTSNREPSPKI-IRXDYDNUSA-N 1 1 284.403 2.686 50 0 CFAAMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000290222571 381348072 /nfs/dbraw/zinc/34/80/72/381348072.db2.gz RYNAWKIJAWBHLG-RYUDHWBXSA-N 1 1 292.404 2.996 50 0 CFAAMO C[C@H](O)CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000354832457 381476035 /nfs/dbraw/zinc/47/60/35/381476035.db2.gz HTHZREDLWOAXJN-ZDUSSCGKSA-N 1 1 285.391 2.813 50 0 CFAAMO C[N@@H+](Cc1cccc2ccccc21)C1(CO)CCOCC1 ZINC000191028741 382688814 /nfs/dbraw/zinc/68/88/14/382688814.db2.gz VJROVTABLNYORD-UHFFFAOYSA-N 1 1 285.387 2.813 50 0 CFAAMO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000192390832 382708147 /nfs/dbraw/zinc/70/81/47/382708147.db2.gz ZJROJJVTXSZWPC-VNHYZAJKSA-N 1 1 250.430 2.885 50 0 CFAAMO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000192390827 382708192 /nfs/dbraw/zinc/70/81/92/382708192.db2.gz ZJROJJVTXSZWPC-IPYPFGDCSA-N 1 1 250.430 2.885 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000193699347 382722863 /nfs/dbraw/zinc/72/28/63/382722863.db2.gz WKFQLSWBGAJWCD-PBHICJAKSA-N 1 1 274.408 2.781 50 0 CFAAMO Cc1n[nH]cc1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000195565070 382769667 /nfs/dbraw/zinc/76/96/67/382769667.db2.gz SJBBYRSISCASII-CYBMUJFWSA-N 1 1 290.436 2.658 50 0 CFAAMO CCc1ccc(C[N@H+]2CCCC[C@H]2CCCO)o1 ZINC000215211568 382778166 /nfs/dbraw/zinc/77/81/66/382778166.db2.gz JXYXLWRBKDHFSV-ZDUSSCGKSA-N 1 1 251.370 2.969 50 0 CFAAMO Cc1cc(C[N@H+]2CCCC[C@@H]2CCn2cccn2)on1 ZINC000215490016 382778844 /nfs/dbraw/zinc/77/88/44/382778844.db2.gz IEHUWKAQKZWKAS-CQSZACIVSA-N 1 1 274.368 2.624 50 0 CFAAMO CCO[C@@H](C)c1ccc(-c2cc(N(C)C)nc(N)[nH+]2)cc1 ZINC000215515135 382778879 /nfs/dbraw/zinc/77/88/79/382778879.db2.gz CIYHUXBRLPJMQZ-NSHDSACASA-N 1 1 286.379 2.889 50 0 CFAAMO CS[C@@H](C)CC[N@H+]1CCCN(Cc2cccnc2)CC1 ZINC000215470314 382779055 /nfs/dbraw/zinc/77/90/55/382779055.db2.gz UMMYNLQNSMSOKM-HNNXBMFYSA-N 1 1 293.480 2.731 50 0 CFAAMO CCCn1ncc(C[N@H+](C)Cc2ccnc(C)c2)c1C ZINC000215536724 382779233 /nfs/dbraw/zinc/77/92/33/382779233.db2.gz BKZMQVFBTSKWCW-UHFFFAOYSA-N 1 1 272.396 2.937 50 0 CFAAMO CCCn1ncc(C[N@@H+](C)Cc2ccnc(C)c2)c1C ZINC000215536724 382779234 /nfs/dbraw/zinc/77/92/34/382779234.db2.gz BKZMQVFBTSKWCW-UHFFFAOYSA-N 1 1 272.396 2.937 50 0 CFAAMO C[N@@H+](CCn1cccn1)Cc1ccc([C@H]2CCCCO2)o1 ZINC000216163433 382781970 /nfs/dbraw/zinc/78/19/70/382781970.db2.gz OHBFUFBIWTUTTB-OAHLLOKOSA-N 1 1 289.379 2.850 50 0 CFAAMO Cc1n[nH]c(C)c1CCN(C)CC(C)(C)C[NH+]1CCCC1 ZINC000216109362 382782257 /nfs/dbraw/zinc/78/22/57/382782257.db2.gz AEXKGPSRKCPCOU-UHFFFAOYSA-N 1 1 292.471 2.623 50 0 CFAAMO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1cscn1 ZINC000216518812 382784155 /nfs/dbraw/zinc/78/41/55/382784155.db2.gz PTBJQILDOHCALC-LBPRGKRZSA-N 1 1 261.394 2.910 50 0 CFAAMO Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1cscn1 ZINC000216518812 382784157 /nfs/dbraw/zinc/78/41/57/382784157.db2.gz PTBJQILDOHCALC-LBPRGKRZSA-N 1 1 261.394 2.910 50 0 CFAAMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nccs2)C1 ZINC000194876826 382756841 /nfs/dbraw/zinc/75/68/41/382756841.db2.gz OOAVGDYJWLQDQZ-CQSZACIVSA-N 1 1 282.409 2.554 50 0 CFAAMO CCCn1c(C)cnc1[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000575316601 382758304 /nfs/dbraw/zinc/75/83/04/382758304.db2.gz QLLJLZXLRZVZMD-MRXNPFEDSA-N 1 1 284.407 2.986 50 0 CFAAMO C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000577126144 382848878 /nfs/dbraw/zinc/84/88/78/382848878.db2.gz INVMYADMEPOTCW-YZHPQUFMSA-N 1 1 265.422 2.789 50 0 CFAAMO CCO[C@@H](C)C[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000220301051 382796064 /nfs/dbraw/zinc/79/60/64/382796064.db2.gz DPEFLRSZANNBAW-NSHDSACASA-N 1 1 263.341 2.527 50 0 CFAAMO O[C@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000222198278 382801494 /nfs/dbraw/zinc/80/14/94/382801494.db2.gz JNOIPYNYOJXYSP-DOTOQJQBSA-N 1 1 297.402 2.549 50 0 CFAAMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000225395469 382815562 /nfs/dbraw/zinc/81/55/62/382815562.db2.gz WPJMRVUKIFGGLF-NXEZZACHSA-N 1 1 288.185 2.635 50 0 CFAAMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000225395469 382815564 /nfs/dbraw/zinc/81/55/64/382815564.db2.gz WPJMRVUKIFGGLF-NXEZZACHSA-N 1 1 288.185 2.635 50 0 CFAAMO FCCCCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000225468611 382816908 /nfs/dbraw/zinc/81/69/08/382816908.db2.gz PXQTWSDTKKLTHZ-UHFFFAOYSA-N 1 1 265.376 2.734 50 0 CFAAMO CC(C)(C)c1ccc(CC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000225637204 382819445 /nfs/dbraw/zinc/81/94/45/382819445.db2.gz QQWZLFKLVOFRJV-OAHLLOKOSA-N 1 1 288.435 2.724 50 0 CFAAMO CC[N@@H+](CCC(=O)N(C)OC)Cc1ccccc1Cl ZINC000225675749 382820338 /nfs/dbraw/zinc/82/03/38/382820338.db2.gz XNNFBMNVGWZCQW-UHFFFAOYSA-N 1 1 284.787 2.572 50 0 CFAAMO COCc1cccc(C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)c1 ZINC000225843788 382822729 /nfs/dbraw/zinc/82/27/29/382822729.db2.gz ZGRSCPDOJLDMJB-YOEHRIQHSA-N 1 1 277.408 2.816 50 0 CFAAMO C[C@H](CC[N@H+](C)[C@H](C)C[S@@](C)=O)c1ccccc1 ZINC000230200843 382857213 /nfs/dbraw/zinc/85/72/13/382857213.db2.gz FRANEKMOHVLMRS-HBUWYVDXSA-N 1 1 267.438 2.879 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000230210427 382857488 /nfs/dbraw/zinc/85/74/88/382857488.db2.gz OYRYNFXCKLFHQG-QKPAOTATSA-N 1 1 295.471 2.985 50 0 CFAAMO Cc1cc[nH+]c(N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000242106170 382984656 /nfs/dbraw/zinc/98/46/56/382984656.db2.gz WHNXJEPKAKOKEL-HNNXBMFYSA-N 1 1 287.407 2.983 50 0 CFAAMO CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C)C2)C1 ZINC000241965527 382984705 /nfs/dbraw/zinc/98/47/05/382984705.db2.gz UTMUREGGWMXHBR-SOUVJXGZSA-N 1 1 266.429 2.803 50 0 CFAAMO COCCCCc1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000241965614 382984758 /nfs/dbraw/zinc/98/47/58/382984758.db2.gz UUJLNPTYYVLBBG-FRRDWIJNSA-N 1 1 281.400 2.973 50 0 CFAAMO O=C(CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1)c1ccc(F)cc1 ZINC000242106206 382984908 /nfs/dbraw/zinc/98/49/08/382984908.db2.gz WHVVKDCXCLTFGU-YOEHRIQHSA-N 1 1 291.366 2.899 50 0 CFAAMO CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C)C2)C1 ZINC000241965524 382984935 /nfs/dbraw/zinc/98/49/35/382984935.db2.gz UTMUREGGWMXHBR-QLFBSQMISA-N 1 1 266.429 2.803 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000243919562 382988434 /nfs/dbraw/zinc/98/84/34/382988434.db2.gz BOXGAQLUBKNGDK-CYBMUJFWSA-N 1 1 290.386 2.618 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2ccc(F)cc2[nH]1 ZINC000243919562 382988437 /nfs/dbraw/zinc/98/84/37/382988437.db2.gz BOXGAQLUBKNGDK-CYBMUJFWSA-N 1 1 290.386 2.618 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1nc2ccc(F)cc2[nH]1 ZINC000243919562 382988441 /nfs/dbraw/zinc/98/84/41/382988441.db2.gz BOXGAQLUBKNGDK-CYBMUJFWSA-N 1 1 290.386 2.618 50 0 CFAAMO CCc1cc(C[N@@H+](C)CCCc2c(C)n[nH]c2C)on1 ZINC000244594113 382988928 /nfs/dbraw/zinc/98/89/28/382988928.db2.gz DGMUEBIIOGTLEL-UHFFFAOYSA-N 1 1 276.384 2.642 50 0 CFAAMO COc1cccc2c1OCCC[N@@H+](C[C@H]1CCCOC1)C2 ZINC000244626696 382990058 /nfs/dbraw/zinc/99/00/58/382990058.db2.gz FQRUMEBZVCWSKF-CQSZACIVSA-N 1 1 291.391 2.706 50 0 CFAAMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1cncn1C1CC1 ZINC000244724121 382990880 /nfs/dbraw/zinc/99/08/80/382990880.db2.gz MNYOIISHCBVMAI-KRWDZBQOSA-N 1 1 285.391 2.774 50 0 CFAAMO COC1CCN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000244795672 382992316 /nfs/dbraw/zinc/99/23/16/382992316.db2.gz RLNDTWXRHVSNQE-QGZVFWFLSA-N 1 1 288.435 2.762 50 0 CFAAMO COC1CCN(C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000244795672 382992319 /nfs/dbraw/zinc/99/23/19/382992319.db2.gz RLNDTWXRHVSNQE-QGZVFWFLSA-N 1 1 288.435 2.762 50 0 CFAAMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000245316861 382997576 /nfs/dbraw/zinc/99/75/76/382997576.db2.gz KXZOWQMUCKZNNR-UHOFOFEASA-N 1 1 288.391 2.594 50 0 CFAAMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)C(=O)O1 ZINC000245316861 382997580 /nfs/dbraw/zinc/99/75/80/382997580.db2.gz KXZOWQMUCKZNNR-UHOFOFEASA-N 1 1 288.391 2.594 50 0 CFAAMO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC=C(F)C2)C1 ZINC000583651315 383091671 /nfs/dbraw/zinc/09/16/71/383091671.db2.gz KWDGETGWNVBCCU-UHFFFAOYSA-N 1 1 284.375 2.803 50 0 CFAAMO CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC=C(F)C2)C1 ZINC000583651315 383091678 /nfs/dbraw/zinc/09/16/78/383091678.db2.gz KWDGETGWNVBCCU-UHFFFAOYSA-N 1 1 284.375 2.803 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000248127611 383212961 /nfs/dbraw/zinc/21/29/61/383212961.db2.gz MGMSXILYKAOEJK-LSDHHAIUSA-N 1 1 294.345 2.664 50 0 CFAAMO Cn1cccc1C(=O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000248131443 383212975 /nfs/dbraw/zinc/21/29/75/383212975.db2.gz NFNNGSVLJPULFU-KGLIPLIRSA-N 1 1 260.381 2.720 50 0 CFAAMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000248057935 383209635 /nfs/dbraw/zinc/20/96/35/383209635.db2.gz CKDSLRYVWLKERY-CVEARBPZSA-N 1 1 277.408 2.918 50 0 CFAAMO [NH3+][C@@H]1CCC[N@@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426494336 383402345 /nfs/dbraw/zinc/40/23/45/383402345.db2.gz PCQMRZODOWZNMP-CYBMUJFWSA-N 1 1 293.842 2.732 50 0 CFAAMO [NH3+][C@@H]1CCC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426494336 383402348 /nfs/dbraw/zinc/40/23/48/383402348.db2.gz PCQMRZODOWZNMP-CYBMUJFWSA-N 1 1 293.842 2.732 50 0 CFAAMO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c[nH]1 ZINC000426642884 383407964 /nfs/dbraw/zinc/40/79/64/383407964.db2.gz KXVWPWWEQWUHMP-GFCCVEGCSA-N 1 1 271.364 2.778 50 0 CFAAMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc(F)c1 ZINC000252517503 383416333 /nfs/dbraw/zinc/41/63/33/383416333.db2.gz KGQDKQBTTVUIMI-CJNGLKHVSA-N 1 1 262.372 2.884 50 0 CFAAMO C[N@H+]1CCCC[C@@H]1CCn1ccnc1-c1ccccn1 ZINC000253416115 383456388 /nfs/dbraw/zinc/45/63/88/383456388.db2.gz PGPOOVHVQPVLOX-CQSZACIVSA-N 1 1 270.380 2.820 50 0 CFAAMO CCn1nccc1CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000253420885 383458945 /nfs/dbraw/zinc/45/89/45/383458945.db2.gz NGOZKEABIFDXFE-QAPCUYQASA-N 1 1 299.418 2.908 50 0 CFAAMO Cc1ccc(NCCCNC(=O)C[C@H]2C=CCC2)[nH+]c1 ZINC000265637292 383964962 /nfs/dbraw/zinc/96/49/62/383964962.db2.gz UUEDECHQJMDZJJ-AWEZNQCLSA-N 1 1 273.380 2.665 50 0 CFAAMO C[C@H](CO)[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000289380384 197319546 /nfs/dbraw/zinc/31/95/46/197319546.db2.gz CIASQPVUHJORLI-CYBMUJFWSA-N 1 1 263.381 2.821 50 0 CFAAMO CCC[C@]1(CO)CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000288876250 197184638 /nfs/dbraw/zinc/18/46/38/197184638.db2.gz QTROMKYGUCVWLZ-KRWDZBQOSA-N 1 1 293.407 2.559 50 0 CFAAMO O[C@H](C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000002616066 285351208 /nfs/dbraw/zinc/35/12/08/285351208.db2.gz HMDFHKCUQNUSEN-QWHCGFSZSA-N 1 1 273.298 2.994 50 0 CFAAMO Cc1ncc(C[N@@H+](C)C[C@@H]2CCOC2)n1-c1ccccc1 ZINC000093839999 184731075 /nfs/dbraw/zinc/73/10/75/184731075.db2.gz HRGDNIINBHVTOU-HNNXBMFYSA-N 1 1 285.391 2.649 50 0 CFAAMO Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000007166518 393466380 /nfs/dbraw/zinc/46/63/80/393466380.db2.gz YQOVOYVJMBRRQX-OWCLPIDISA-N 1 1 277.408 2.713 50 0 CFAAMO CC(C)([NH2+]Cc1ccccc1)c1nnnn1-c1ccccc1 ZINC000035622447 393521863 /nfs/dbraw/zinc/52/18/63/393521863.db2.gz PKHVFVZEWXJDKX-UHFFFAOYSA-N 1 1 293.374 2.687 50 0 CFAAMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2c(C)cccc2C)C1 ZINC000046955906 393584131 /nfs/dbraw/zinc/58/41/31/393584131.db2.gz MHJZKFWFGCFBTC-AWEZNQCLSA-N 1 1 275.396 2.767 50 0 CFAAMO Clc1ccc(Cl)c([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065371766 393631029 /nfs/dbraw/zinc/63/10/29/393631029.db2.gz ZFUQCDQESDFAIC-LLVKDONJSA-N 1 1 268.147 2.952 50 0 CFAAMO CC(C)C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000089840143 393771054 /nfs/dbraw/zinc/77/10/54/393771054.db2.gz LETXONVNASBNCO-HNNXBMFYSA-N 1 1 291.370 2.740 50 0 CFAAMO CCOC[C@H]1CCC[N@@H+](Cc2cnc3c(C)cccn23)C1 ZINC000093419284 393798867 /nfs/dbraw/zinc/79/88/67/393798867.db2.gz FFEIMICWGSUBMK-HNNXBMFYSA-N 1 1 287.407 2.891 50 0 CFAAMO COCc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000093640157 393802518 /nfs/dbraw/zinc/80/25/18/393802518.db2.gz KXJLONIYLIEESX-UHFFFAOYSA-N 1 1 261.365 2.588 50 0 CFAAMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000096424701 393829726 /nfs/dbraw/zinc/82/97/26/393829726.db2.gz VRLDIEKJAWJMLI-STQMWFEESA-N 1 1 268.788 2.860 50 0 CFAAMO CCCC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000080976463 135002886 /nfs/dbraw/zinc/00/28/86/135002886.db2.gz WRMWYTPFRHXEBC-LLVKDONJSA-N 1 1 281.787 2.620 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000046857475 397582780 /nfs/dbraw/zinc/58/27/80/397582780.db2.gz QFJKRIBSYITRKW-JQWIXIFHSA-N 1 1 293.238 2.561 50 0 CFAAMO FC(F)(F)Oc1ccccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000012243826 397538837 /nfs/dbraw/zinc/53/88/37/397538837.db2.gz HKXJDKJXHXHBBN-NSHDSACASA-N 1 1 283.253 2.543 50 0 CFAAMO CCn1cnnc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000095420383 397591864 /nfs/dbraw/zinc/59/18/64/397591864.db2.gz JUWDTWILKPEACE-LLVKDONJSA-N 1 1 262.382 2.527 50 0 CFAAMO CCc1cccc(C)c1-n1nnnc1C(C)(C)[NH+]1CCCC1 ZINC000102722312 397594365 /nfs/dbraw/zinc/59/43/65/397594365.db2.gz WOGSENPISDQXHQ-UHFFFAOYSA-N 1 1 299.422 2.864 50 0 CFAAMO C[NH+](C)CC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000195574438 397612015 /nfs/dbraw/zinc/61/20/15/397612015.db2.gz VENTXPXPIYFQJC-UHFFFAOYSA-N 1 1 280.343 2.647 50 0 CFAAMO Cn1cc(CC[N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000215141869 397619298 /nfs/dbraw/zinc/61/92/98/397619298.db2.gz AJDWSSFFKCAQPU-UHFFFAOYSA-N 1 1 299.418 2.808 50 0 CFAAMO Cc1ccc([C@@H](C(=O)N2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000091818764 292190039 /nfs/dbraw/zinc/19/00/39/292190039.db2.gz YNCIZLVTXZERMQ-AWEZNQCLSA-N 1 1 296.361 2.855 50 0 CFAAMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC(C)C)cc1 ZINC000036391954 292213302 /nfs/dbraw/zinc/21/33/02/292213302.db2.gz DWPIGDHBSUDHDS-HNNXBMFYSA-N 1 1 260.381 2.657 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c(C)c1C ZINC000004948446 170044363 /nfs/dbraw/zinc/04/43/63/170044363.db2.gz LNOWMJVGFPZKPL-CQSZACIVSA-N 1 1 263.381 2.516 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000005063167 170062781 /nfs/dbraw/zinc/06/27/81/170062781.db2.gz GDXMWNBWIFZDGD-UHFFFAOYSA-N 1 1 281.787 2.818 50 0 CFAAMO C[N@@H+](Cc1ccccc1)Cn1nnc2ccccc21 ZINC000005342939 170087617 /nfs/dbraw/zinc/08/76/17/170087617.db2.gz HUVTWWKKTQIJRB-UHFFFAOYSA-N 1 1 252.321 2.521 50 0 CFAAMO C[N@H+](Cc1ccccc1)Cn1nnc2ccccc21 ZINC000005342939 170087618 /nfs/dbraw/zinc/08/76/18/170087618.db2.gz HUVTWWKKTQIJRB-UHFFFAOYSA-N 1 1 252.321 2.521 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000006468374 170203443 /nfs/dbraw/zinc/20/34/43/170203443.db2.gz YFSDLIXTIDZVDO-MJBXVCDLSA-N 1 1 281.371 2.543 50 0 CFAAMO CC[N@@H+](CCO)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000006529832 170210769 /nfs/dbraw/zinc/21/07/69/170210769.db2.gz WJBQAWXSXSYWGZ-UHFFFAOYSA-N 1 1 273.380 2.508 50 0 CFAAMO NNc1[nH+]c2ccccc2nc1Cc1ccccc1 ZINC000006580943 170215260 /nfs/dbraw/zinc/21/52/60/170215260.db2.gz VVXTVQMXZGMAAH-UHFFFAOYSA-N 1 1 250.305 2.506 50 0 in-vivo CFAAMO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000007486560 170286451 /nfs/dbraw/zinc/28/64/51/170286451.db2.gz IHWAUHMWVUWKOF-GFCCVEGCSA-N 1 1 292.379 2.517 50 0 CFAAMO COc1ccc(OC)c(NC(=O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000007486560 170286453 /nfs/dbraw/zinc/28/64/53/170286453.db2.gz IHWAUHMWVUWKOF-GFCCVEGCSA-N 1 1 292.379 2.517 50 0 CFAAMO CC[NH+]1CCN(C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000007557855 170290447 /nfs/dbraw/zinc/29/04/47/170290447.db2.gz ALYPYFQZTSTQQB-UHFFFAOYSA-N 1 1 297.855 2.983 50 0 CFAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCCC1 ZINC000010030052 170395771 /nfs/dbraw/zinc/39/57/71/170395771.db2.gz MNJAKHARHNEXGV-JTQLQIEISA-N 1 1 282.771 2.771 50 0 CFAAMO CCN1c2ccccc2[N@@H+](CC(=O)C(C)(C)C)C1=N ZINC000019720697 170842725 /nfs/dbraw/zinc/84/27/25/170842725.db2.gz WWSCONORIYWLLX-UHFFFAOYSA-N 1 1 259.353 2.557 50 0 CFAAMO CCN1c2ccccc2[N@H+](CC(=O)C(C)(C)C)C1=N ZINC000019720697 170842727 /nfs/dbraw/zinc/84/27/27/170842727.db2.gz WWSCONORIYWLLX-UHFFFAOYSA-N 1 1 259.353 2.557 50 0 CFAAMO CCN1CC[NH+](CCCOc2ccc3c(c2)CCC3)CC1 ZINC000020406546 171183315 /nfs/dbraw/zinc/18/33/15/171183315.db2.gz NMSJZFGXTIZALY-UHFFFAOYSA-N 1 1 288.435 2.582 50 0 CFAAMO COC[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000020600843 171266437 /nfs/dbraw/zinc/26/64/37/171266437.db2.gz QLIXWKCOISIUTQ-LBPRGKRZSA-N 1 1 269.772 2.687 50 0 CFAAMO CCCc1ccc(OCCC[NH+]2CCOCC2)c(OC)c1 ZINC000020653405 171269046 /nfs/dbraw/zinc/26/90/46/171269046.db2.gz WYWUYGXDEBZAJW-UHFFFAOYSA-N 1 1 293.407 2.749 50 0 CFAAMO O[C@@H](c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020791746 171272744 /nfs/dbraw/zinc/27/27/44/171272744.db2.gz MLWIPELGYZQEMS-OALUTQOASA-N 1 1 297.398 2.836 50 0 CFAAMO CC[N@H+](CCc1ccc(F)cc1F)Cc1nccn1C ZINC000020868683 171277196 /nfs/dbraw/zinc/27/71/96/171277196.db2.gz MVPQUYIFVHSDOR-UHFFFAOYSA-N 1 1 279.334 2.763 50 0 CFAAMO CC[N@@H+](CCc1ccc(F)cc1F)Cc1nccn1C ZINC000020868683 171277198 /nfs/dbraw/zinc/27/71/98/171277198.db2.gz MVPQUYIFVHSDOR-UHFFFAOYSA-N 1 1 279.334 2.763 50 0 CFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000020948212 171282352 /nfs/dbraw/zinc/28/23/52/171282352.db2.gz ZZAWODUUVOUDNE-HNNXBMFYSA-N 1 1 268.360 2.537 50 0 CFAAMO C[NH+](C)[C@@H](CNC(=O)CCc1ccsc1)c1ccco1 ZINC000022381254 171386164 /nfs/dbraw/zinc/38/61/64/171386164.db2.gz SAIJNPIENUBKOV-ZDUSSCGKSA-N 1 1 292.404 2.693 50 0 CFAAMO COc1cccc(C[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000030907977 171626888 /nfs/dbraw/zinc/62/68/88/171626888.db2.gz KNKLTNYQBDKVBX-UHFFFAOYSA-N 1 1 294.358 2.566 50 0 CFAAMO COC(=O)[C@H]([NH3+])Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000038518575 174143681 /nfs/dbraw/zinc/14/36/81/174143681.db2.gz NMCROLOVMHXPSL-OAHLLOKOSA-N 1 1 273.307 2.536 50 0 CFAAMO c1ccc(C[N@H+]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000039565648 174170062 /nfs/dbraw/zinc/17/00/62/174170062.db2.gz KMOQMXILLUBOJL-KRWDZBQOSA-N 1 1 252.361 2.833 50 0 CFAAMO c1ccc(CN2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000039565648 174170064 /nfs/dbraw/zinc/17/00/64/174170064.db2.gz KMOQMXILLUBOJL-KRWDZBQOSA-N 1 1 252.361 2.833 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccccc1Cl ZINC000039975626 174180719 /nfs/dbraw/zinc/18/07/19/174180719.db2.gz YSQQIHAHZQWISG-CQSZACIVSA-N 1 1 294.826 2.873 50 0 CFAAMO COc1ccccc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000040145622 174195156 /nfs/dbraw/zinc/19/51/56/174195156.db2.gz HDHYMVQADYZCMZ-CYBMUJFWSA-N 1 1 291.395 2.691 50 0 CFAAMO C[C@H]1CCC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000040161802 174196201 /nfs/dbraw/zinc/19/62/01/174196201.db2.gz JOHLZMVBAGHRSW-AWEZNQCLSA-N 1 1 264.413 2.725 50 0 CFAAMO CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000040513776 174305934 /nfs/dbraw/zinc/30/59/34/174305934.db2.gz FKABVJJQFCLMFT-NSHDSACASA-N 1 1 261.325 2.952 50 0 CFAAMO CC[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000043643096 175084771 /nfs/dbraw/zinc/08/47/71/175084771.db2.gz WJJWRFZJLXKTOF-CYBMUJFWSA-N 1 1 260.381 2.566 50 0 CFAAMO CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000043643096 175084772 /nfs/dbraw/zinc/08/47/72/175084772.db2.gz WJJWRFZJLXKTOF-CYBMUJFWSA-N 1 1 260.381 2.566 50 0 CFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000045291251 175353878 /nfs/dbraw/zinc/35/38/78/175353878.db2.gz IGMGNJSQFCTVLT-UHFFFAOYSA-N 1 1 274.408 2.685 50 0 CFAAMO COc1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000058323805 175618230 /nfs/dbraw/zinc/61/82/30/175618230.db2.gz ZKQHIMXQARRQSK-CYBMUJFWSA-N 1 1 291.395 2.547 50 0 CFAAMO Cc1ncc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)s1 ZINC000069744010 175851208 /nfs/dbraw/zinc/85/12/08/175851208.db2.gz ANXUBOMBFNHWJG-CYBMUJFWSA-N 1 1 276.409 2.703 50 0 CFAAMO CCCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000071278845 176108199 /nfs/dbraw/zinc/10/81/99/176108199.db2.gz PQWFKYMDTBAXLJ-HNNXBMFYSA-N 1 1 274.408 2.711 50 0 CFAAMO CCc1[nH+]ccn1CC(=O)NCc1ccc2sccc2c1 ZINC000071763785 176261768 /nfs/dbraw/zinc/26/17/68/176261768.db2.gz USKXELNCGPWNHE-UHFFFAOYSA-N 1 1 299.399 2.977 50 0 CFAAMO Cc1cc(C[N@H+](C)C[C@H](O)c2ccc(C)c(C)c2)no1 ZINC000071828137 176272454 /nfs/dbraw/zinc/27/24/54/176272454.db2.gz HYLRSOGLGHNTPT-INIZCTEOSA-N 1 1 274.364 2.765 50 0 CFAAMO Cc1cc(C[N@@H+](C)C[C@H](O)c2ccc(C)c(C)c2)no1 ZINC000071828137 176272455 /nfs/dbraw/zinc/27/24/55/176272455.db2.gz HYLRSOGLGHNTPT-INIZCTEOSA-N 1 1 274.364 2.765 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000071850300 176276437 /nfs/dbraw/zinc/27/64/37/176276437.db2.gz PDLBDFKTRCUPNL-UHFFFAOYSA-N 1 1 288.435 2.954 50 0 CFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000071870562 176283289 /nfs/dbraw/zinc/28/32/89/176283289.db2.gz ZUFMWKNGFFQTFF-GJZGRUSLSA-N 1 1 273.380 2.711 50 0 CFAAMO c1ncn(C[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000071875096 176284623 /nfs/dbraw/zinc/28/46/23/176284623.db2.gz JPNSMBUPOQXCJM-HNNXBMFYSA-N 1 1 262.401 2.570 50 0 CFAAMO c1ncn(C[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000071875095 176284961 /nfs/dbraw/zinc/28/49/61/176284961.db2.gz JPNSMBUPOQXCJM-OAHLLOKOSA-N 1 1 262.401 2.570 50 0 CFAAMO CCc1noc(C[N@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000071905295 176296429 /nfs/dbraw/zinc/29/64/29/176296429.db2.gz VRFVICHPDTZOFY-UHFFFAOYSA-N 1 1 289.354 2.978 50 0 CFAAMO CCc1noc(C[N@@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000071905295 176296430 /nfs/dbraw/zinc/29/64/30/176296430.db2.gz VRFVICHPDTZOFY-UHFFFAOYSA-N 1 1 289.354 2.978 50 0 CFAAMO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000071910297 176297450 /nfs/dbraw/zinc/29/74/50/176297450.db2.gz BMWXARBYTMNYMS-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000071910297 176297452 /nfs/dbraw/zinc/29/74/52/176297452.db2.gz BMWXARBYTMNYMS-QGZVFWFLSA-N 1 1 295.386 2.709 50 0 CFAAMO C[N@H+](Cc1cn(-c2ccccc2)nn1)C1CCSCC1 ZINC000072137038 176322419 /nfs/dbraw/zinc/32/24/19/176322419.db2.gz NXMHGWUVTROXTK-UHFFFAOYSA-N 1 1 288.420 2.595 50 0 CFAAMO C[N@@H+](Cc1cn(-c2ccccc2)nn1)C1CCSCC1 ZINC000072137038 176322421 /nfs/dbraw/zinc/32/24/21/176322421.db2.gz NXMHGWUVTROXTK-UHFFFAOYSA-N 1 1 288.420 2.595 50 0 CFAAMO C[N@H+](Cc1cccc2ncccc12)C[C@@H]1CCOC1 ZINC000072146344 176325038 /nfs/dbraw/zinc/32/50/38/176325038.db2.gz LJWUKWQOGVBKCJ-ZDUSSCGKSA-N 1 1 256.349 2.703 50 0 CFAAMO c1c(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)nnn1-c1ccccc1 ZINC000072156863 176328736 /nfs/dbraw/zinc/32/87/36/176328736.db2.gz ZKSOJTWIRBJJEN-GASCZTMLSA-N 1 1 280.375 2.665 50 0 CFAAMO CC(C)[N@@H+]1CCO[C@@H](c2ccc(Br)cn2)C1 ZINC000072344126 176372470 /nfs/dbraw/zinc/37/24/70/176372470.db2.gz KZMPHMMQJGJSPQ-GFCCVEGCSA-N 1 1 285.185 2.626 50 0 CFAAMO CC(C)[N@H+]1CCO[C@@H](c2ccc(Br)cn2)C1 ZINC000072344126 176372472 /nfs/dbraw/zinc/37/24/72/176372472.db2.gz KZMPHMMQJGJSPQ-GFCCVEGCSA-N 1 1 285.185 2.626 50 0 CFAAMO Clc1ccccc1OCCc1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000072344102 176372810 /nfs/dbraw/zinc/37/28/10/176372810.db2.gz RCNWQTOFJBQQII-NSHDSACASA-N 1 1 291.782 2.762 50 0 CFAAMO CC(C)[N@@H+](CC(=O)Nc1ccccc1)C1CCOCC1 ZINC000077323777 177253423 /nfs/dbraw/zinc/25/34/23/177253423.db2.gz ZUYNVNKLLAPPAV-UHFFFAOYSA-N 1 1 276.380 2.515 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(c2noc(-c3ccccc3)n2)C1 ZINC000077358725 177256897 /nfs/dbraw/zinc/25/68/97/177256897.db2.gz YPJZTXGINQNKNE-ZDUSSCGKSA-N 1 1 298.390 2.800 50 0 CFAAMO C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)[C@@H]1CO ZINC000089929842 274291438 /nfs/dbraw/zinc/29/14/38/274291438.db2.gz SMJLIBIQRQRUES-MLGOLLRUSA-N 1 1 288.366 2.967 50 0 CFAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1[nH]c2ccccc2c1Cl ZINC000089938264 274332658 /nfs/dbraw/zinc/33/26/58/274332658.db2.gz GQXOJPUOMIMIHD-SNVBAGLBSA-N 1 1 291.782 2.597 50 0 CFAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1[nH]c2ccccc2c1Cl ZINC000089938264 274332662 /nfs/dbraw/zinc/33/26/62/274332662.db2.gz GQXOJPUOMIMIHD-SNVBAGLBSA-N 1 1 291.782 2.597 50 0 CFAAMO CC(C)(C)N1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000230164056 277151791 /nfs/dbraw/zinc/15/17/91/277151791.db2.gz MOINEFTZFLKOLB-XHSDSOJGSA-N 1 1 280.456 2.797 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000042123227 278219048 /nfs/dbraw/zinc/21/90/48/278219048.db2.gz OBQPGRUDNHVABH-WWGRRREGSA-N 1 1 278.440 2.944 50 0 CFAAMO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000071915612 280216302 /nfs/dbraw/zinc/21/63/02/280216302.db2.gz AMJHPRONRAQGES-INIZCTEOSA-N 1 1 296.361 2.970 50 0 CFAAMO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(C(C)=O)CC1 ZINC000071915612 280216303 /nfs/dbraw/zinc/21/63/03/280216303.db2.gz AMJHPRONRAQGES-INIZCTEOSA-N 1 1 296.361 2.970 50 0 CFAAMO Cc1cnc([C@H](C)[NH+]2CCC(c3cnn(C)c3)CC2)o1 ZINC000095458193 280579511 /nfs/dbraw/zinc/57/95/11/280579511.db2.gz LCUBLFCYMPDBLS-LBPRGKRZSA-N 1 1 274.368 2.657 50 0 CFAAMO Cc1cc(N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)nc(C)[nH+]1 ZINC000301423938 280630940 /nfs/dbraw/zinc/63/09/40/280630940.db2.gz DAHPUFCBMLVGNU-SWLSCSKDSA-N 1 1 296.374 2.699 50 0 CFAAMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000094433554 288305575 /nfs/dbraw/zinc/30/55/75/288305575.db2.gz ZECYFNBJTFMRMD-JKSUJKDBSA-N 1 1 259.397 2.530 50 0 CFAAMO Cc1cnc(C)c(NC[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000534652457 328338063 /nfs/dbraw/zinc/33/80/63/328338063.db2.gz CVFFWYLGNHEGAE-AWEZNQCLSA-N 1 1 274.412 2.770 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCOC1CCCCC1 ZINC000534669096 328346435 /nfs/dbraw/zinc/34/64/35/328346435.db2.gz FITHHKBPXYAKQU-INIZCTEOSA-N 1 1 296.455 2.716 50 0 CFAAMO C[N@@H+](CC1CCCC1)Cn1cc(Br)cn1 ZINC000058207377 327010366 /nfs/dbraw/zinc/01/03/66/327010366.db2.gz SCVRNZKKOUJYPH-UHFFFAOYSA-N 1 1 272.190 2.725 50 0 CFAAMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccncc1 ZINC000096489812 533854751 /nfs/dbraw/zinc/85/47/51/533854751.db2.gz DBGFYLIDPNWRHN-AWEZNQCLSA-N 1 1 261.413 2.997 50 0 CFAAMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccncc1 ZINC000096489812 533854760 /nfs/dbraw/zinc/85/47/60/533854760.db2.gz DBGFYLIDPNWRHN-AWEZNQCLSA-N 1 1 261.413 2.997 50 0 CFAAMO CC(C)[C@H](CO)[N@@H+](Cc1ccno1)Cc1ccccc1 ZINC000096424418 517474454 /nfs/dbraw/zinc/47/44/54/517474454.db2.gz VNBIIYQPRLVNJC-INIZCTEOSA-N 1 1 274.364 2.694 50 0 CFAAMO CC(C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789718 519713371 /nfs/dbraw/zinc/71/33/71/519713371.db2.gz BUZLAUSVSMMTGU-UHFFFAOYSA-N 1 1 293.436 2.765 50 0 CFAAMO COc1cc(C)c(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)cc1C ZINC000244734349 522194903 /nfs/dbraw/zinc/19/49/03/522194903.db2.gz NDYMOTGQDAHZLB-NVXWUHKLSA-N 1 1 288.435 2.981 50 0 CFAAMO Cc1ccc([C@@H](C)CC[N@@H+](C)CCc2cnn(C)c2)o1 ZINC000214997846 525681420 /nfs/dbraw/zinc/68/14/20/525681420.db2.gz LMDAUJAYSVGLSL-ZDUSSCGKSA-N 1 1 275.396 2.990 50 0 CFAAMO c1cc(CCC[N@H+]2CCC[C@@H]3COCC[C@H]32)ccn1 ZINC000360454382 526419651 /nfs/dbraw/zinc/41/96/51/526419651.db2.gz IXIBEJNPDWFQJU-HZPDHXFCSA-N 1 1 260.381 2.515 50 0 CFAAMO OCC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000161586946 527571415 /nfs/dbraw/zinc/57/14/15/527571415.db2.gz HSMUVKQKFIACGY-GFCCVEGCSA-N 1 1 284.197 2.653 50 0 CFAAMO FC(F)Oc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000363782197 527696521 /nfs/dbraw/zinc/69/65/21/527696521.db2.gz RLODESKIVHYEGF-CQSZACIVSA-N 1 1 283.318 2.899 50 0 CFAAMO FC(F)Oc1cccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000363782197 527696523 /nfs/dbraw/zinc/69/65/23/527696523.db2.gz RLODESKIVHYEGF-CQSZACIVSA-N 1 1 283.318 2.899 50 0 CFAAMO CC(C)Cc1cnc(NC(=O)N2CCC[N@@H+](C)CC2)s1 ZINC000096499967 528661669 /nfs/dbraw/zinc/66/16/69/528661669.db2.gz DHDZSXFFAVWXEM-UHFFFAOYSA-N 1 1 296.440 2.511 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000562949 529134759 /nfs/dbraw/zinc/13/47/59/529134759.db2.gz BUCRKOOMUVTBHP-UHFFFAOYSA-N 1 1 287.190 2.771 50 0 CFAAMO Cc1nc([C@H](C)[NH+]2CCCCC2)n(-c2cccc(C)n2)n1 ZINC000670449483 545586944 /nfs/dbraw/zinc/58/69/44/545586944.db2.gz AWCAQLVFYKACTB-ZDUSSCGKSA-N 1 1 285.395 2.826 50 0 CFAAMO CCN(Cc1[nH]nc(C)c1Cl)C[C@H]1CC[N@@H+](CC)C1 ZINC000952987232 615270846 /nfs/dbraw/zinc/27/08/46/615270846.db2.gz JHMFDNSGEUOZIJ-LBPRGKRZSA-N 1 1 284.835 2.535 50 0 CFAAMO CC[C@@H](C(=O)NC1(C2CCCC2)CC1)[N@@H+](C)CC ZINC000952965662 615380228 /nfs/dbraw/zinc/38/02/28/615380228.db2.gz FTMNLNJVKRTQLA-ZDUSSCGKSA-N 1 1 252.402 2.556 50 0 CFAAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078313 617962541 /nfs/dbraw/zinc/96/25/41/617962541.db2.gz CCKDFFOOFQYJFW-NHYWBVRUSA-N 1 1 266.335 2.633 50 0 CFAAMO Cc1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000022309590 618120929 /nfs/dbraw/zinc/12/09/29/618120929.db2.gz QLCQXQJIPIWQHA-HUUCEWRRSA-N 1 1 263.381 2.791 50 0 CFAAMO CC[N@H+](CCN(C)C)Cc1ccc(OC(F)(F)F)cc1 ZINC000022455150 618184862 /nfs/dbraw/zinc/18/48/62/618184862.db2.gz ODYPLIFHPMQZNB-UHFFFAOYSA-N 1 1 290.329 2.969 50 0 CFAAMO CC[N@@H+](CCN(C)C)Cc1ccc(OC(F)(F)F)cc1 ZINC000022455150 618184863 /nfs/dbraw/zinc/18/48/63/618184863.db2.gz ODYPLIFHPMQZNB-UHFFFAOYSA-N 1 1 290.329 2.969 50 0 CFAAMO CC1(C)C[N@H+](CCNc2ccc3ccccc3n2)CCO1 ZINC000170640508 623170093 /nfs/dbraw/zinc/17/00/93/623170093.db2.gz UZJCVXHZWUQQGZ-UHFFFAOYSA-N 1 1 285.391 2.758 50 0 CFAAMO CC1(C)C[N@@H+](CCNc2ccc3ccccc3n2)CCO1 ZINC000170640508 623170099 /nfs/dbraw/zinc/17/00/99/623170099.db2.gz UZJCVXHZWUQQGZ-UHFFFAOYSA-N 1 1 285.391 2.758 50 0 CFAAMO CCc1ccc(-c2noc([C@@H]3C[N@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000874435603 624452823 /nfs/dbraw/zinc/45/28/23/624452823.db2.gz ZBOZJJQAESKKLQ-GJZGRUSLSA-N 1 1 299.374 2.835 50 0 CFAAMO COCCN1CC[N@@H+](C[C@H](C)CCC=C(C)C)CCC1=O ZINC000012000177 626225140 /nfs/dbraw/zinc/22/51/40/626225140.db2.gz KNGJKEHMVUYHPE-MRXNPFEDSA-N 1 1 296.455 2.550 50 0 CFAAMO C[C@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090968 637871606 /nfs/dbraw/zinc/87/16/06/637871606.db2.gz HMXSKMMREFBLMP-JSGCOSHPSA-N 1 1 275.396 2.821 50 0 CFAAMO CC[C@@H](C(=O)NC(C)(C)c1ccc(OC)cc1)[N@@H+](C)CC ZINC000822549785 781903816 /nfs/dbraw/zinc/90/38/16/781903816.db2.gz IATZBYLRBFGJTH-HNNXBMFYSA-N 1 1 292.423 2.777 50 0 CFAAMO C[C@@H]1C[N@@H+](Cc2nc(N)c3ccccc3n2)C[C@H](C)S1 ZINC000096443507 230374085 /nfs/dbraw/zinc/37/40/85/230374085.db2.gz QXELUBYNZFACHN-PHIMTYICSA-N 1 1 288.420 2.538 50 0 CFAAMO C[C@@H]1C[N@H+](Cc2nc(N)c3ccccc3n2)C[C@H](C)S1 ZINC000096443507 230374086 /nfs/dbraw/zinc/37/40/86/230374086.db2.gz QXELUBYNZFACHN-PHIMTYICSA-N 1 1 288.420 2.538 50 0 CFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000096455391 230376951 /nfs/dbraw/zinc/37/69/51/230376951.db2.gz XIDONBDAAGSXFC-CQSZACIVSA-N 1 1 291.395 2.523 50 0 CFAAMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1=CCCCC1 ZINC000098013168 230390184 /nfs/dbraw/zinc/39/01/84/230390184.db2.gz HQINMAFRBSYHGB-HIFRSBDPSA-N 1 1 264.413 2.676 50 0 CFAAMO Cc1ccc(F)c(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000095517278 185002793 /nfs/dbraw/zinc/00/27/93/185002793.db2.gz IQCYYHOGOYYIQD-MRXNPFEDSA-N 1 1 291.370 2.694 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CC(c2cccnc2)C1 ZINC000095528295 185005340 /nfs/dbraw/zinc/00/53/40/185005340.db2.gz VMXGJJRUSSWMQH-ZDUSSCGKSA-N 1 1 298.390 2.589 50 0 CFAAMO CC[N@H+]1CC=C(c2ccccc2)[C@H](C(=O)OC(C)C)C1 ZINC000095918269 185030670 /nfs/dbraw/zinc/03/06/70/185030670.db2.gz FBQJAOUCQBHKHA-MRXNPFEDSA-N 1 1 273.376 2.973 50 0 CFAAMO CCN1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000095967135 185046745 /nfs/dbraw/zinc/04/67/45/185046745.db2.gz UWGIMAMCYKMEOJ-CZUORRHYSA-N 1 1 264.388 2.688 50 0 CFAAMO COC[C@](C)([NH2+]Cc1ccccn1)c1ccccc1 ZINC000095985817 185055239 /nfs/dbraw/zinc/05/52/39/185055239.db2.gz FZCUSAVOAIWSQP-INIZCTEOSA-N 1 1 256.349 2.733 50 0 CFAAMO CCc1nc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)co1 ZINC000096013678 185065986 /nfs/dbraw/zinc/06/59/86/185065986.db2.gz HMLMMPDZUTVDMI-CYBMUJFWSA-N 1 1 293.411 2.621 50 0 CFAAMO C[C@@H](O)c1cccc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000096141902 185106296 /nfs/dbraw/zinc/10/62/96/185106296.db2.gz HLFHKXNXHPEHQK-CQSZACIVSA-N 1 1 298.386 2.634 50 0 CFAAMO CCCn1nc(C2CC2)nc1C[C@@H](C)n1cc[nH+]c1C ZINC000096141460 185106870 /nfs/dbraw/zinc/10/68/70/185106870.db2.gz GJGSKUKSIJNYMD-LLVKDONJSA-N 1 1 273.384 2.874 50 0 CFAAMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000096967903 185143477 /nfs/dbraw/zinc/14/34/77/185143477.db2.gz GJUGZSLNOHHRMS-ORVZXPRGSA-N 1 1 278.440 2.611 50 0 CFAAMO CCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2CC)o1 ZINC000069624061 346897328 /nfs/dbraw/zinc/89/73/28/346897328.db2.gz CIVVQHRXKYUSAJ-CABCVRRESA-N 1 1 290.407 2.931 50 0 CFAAMO C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072277650 346924725 /nfs/dbraw/zinc/92/47/25/346924725.db2.gz QHJVVSCIOFLWDT-JSGCOSHPSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072277650 346924727 /nfs/dbraw/zinc/92/47/27/346924727.db2.gz QHJVVSCIOFLWDT-JSGCOSHPSA-N 1 1 256.353 2.745 50 0 CFAAMO C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072277650 346924729 /nfs/dbraw/zinc/92/47/29/346924729.db2.gz QHJVVSCIOFLWDT-JSGCOSHPSA-N 1 1 256.353 2.745 50 0 CFAAMO c1cc([C@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)n[nH]1 ZINC000072299793 346925636 /nfs/dbraw/zinc/92/56/36/346925636.db2.gz LCXDHTKSDWIDPY-INIZCTEOSA-N 1 1 297.402 2.767 50 0 CFAAMO c1cc([C@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)[nH]n1 ZINC000072299793 346925645 /nfs/dbraw/zinc/92/56/45/346925645.db2.gz LCXDHTKSDWIDPY-INIZCTEOSA-N 1 1 297.402 2.767 50 0 CFAAMO c1cc([C@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)[nH]n1 ZINC000072299793 346925648 /nfs/dbraw/zinc/92/56/48/346925648.db2.gz LCXDHTKSDWIDPY-INIZCTEOSA-N 1 1 297.402 2.767 50 0 CFAAMO CN(C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000097743426 529820089 /nfs/dbraw/zinc/82/00/89/529820089.db2.gz YEIOVYMYNLDQRR-SJDLMVEWSA-N 1 1 262.372 2.770 50 0 CFAAMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc(C2CC2)n1 ZINC000096407642 232179499 /nfs/dbraw/zinc/17/94/99/232179499.db2.gz UUDYFMYWVPSFCC-UONOGXRCSA-N 1 1 272.396 2.701 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000000757707 346205812 /nfs/dbraw/zinc/20/58/12/346205812.db2.gz MIXLSCIIKYNRLB-AQFXKWCLSA-N 1 1 286.419 2.910 50 0 CFAAMO CNC1=[NH+][C@H](C(C)(C)C)[C@@H](c2ccc(OC)cc2)O1 ZINC000004760181 346209945 /nfs/dbraw/zinc/20/99/45/346209945.db2.gz YJJAYNYGENVPLO-OLZOCXBDSA-N 1 1 262.353 2.757 50 0 CFAAMO CN([NH2+]C=C1c2ccccc2N(C)C1=O)c1ccccc1 ZINC000005353218 346211285 /nfs/dbraw/zinc/21/12/85/346211285.db2.gz LWAQDWJWUATYMB-NTCAYCPXSA-N 1 1 279.343 2.645 50 0 CFAAMO C[C@@H]1[C@H]2CCC[N@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078404 346248005 /nfs/dbraw/zinc/24/80/05/346248005.db2.gz HJBQVDKHMZTIHJ-IAQYHMDHSA-N 1 1 266.335 2.633 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C)on1 ZINC000022910743 346250954 /nfs/dbraw/zinc/25/09/54/346250954.db2.gz NOGSEJJTWCQVHA-ZDUSSCGKSA-N 1 1 287.363 2.750 50 0 CFAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C)on1 ZINC000022910743 346250956 /nfs/dbraw/zinc/25/09/56/346250956.db2.gz NOGSEJJTWCQVHA-ZDUSSCGKSA-N 1 1 287.363 2.750 50 0 CFAAMO Cn1nccc1CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000241466170 136592361 /nfs/dbraw/zinc/59/23/61/136592361.db2.gz NVFTWMLIRHOSIU-GOSISDBHSA-N 1 1 298.434 2.563 50 0 CFAAMO COc1ccc(OCC[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000061784257 346683769 /nfs/dbraw/zinc/68/37/69/346683769.db2.gz SQZLGXOYWQNKCE-MRXNPFEDSA-N 1 1 279.380 2.575 50 0 CFAAMO COCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000079072720 347287792 /nfs/dbraw/zinc/28/77/92/347287792.db2.gz KHLQHOPMWPBJIP-LLVKDONJSA-N 1 1 284.787 2.635 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccn(C(C)C)n3)C2)n[nH]1 ZINC000089599062 347521348 /nfs/dbraw/zinc/52/13/48/347521348.db2.gz LDINBGQGZFOAFQ-AWEZNQCLSA-N 1 1 287.411 2.875 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](Cc3ccn(C(C)C)n3)C2)n[nH]1 ZINC000089599062 347521352 /nfs/dbraw/zinc/52/13/52/347521352.db2.gz LDINBGQGZFOAFQ-AWEZNQCLSA-N 1 1 287.411 2.875 50 0 CFAAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccn(C(C)C)n3)C2)[nH]n1 ZINC000089599062 347521356 /nfs/dbraw/zinc/52/13/56/347521356.db2.gz LDINBGQGZFOAFQ-AWEZNQCLSA-N 1 1 287.411 2.875 50 0 CFAAMO Cc1cc([C@H]2CCC[N@H+](Cc3ccn(C(C)C)n3)C2)[nH]n1 ZINC000089599062 347521361 /nfs/dbraw/zinc/52/13/61/347521361.db2.gz LDINBGQGZFOAFQ-AWEZNQCLSA-N 1 1 287.411 2.875 50 0 CFAAMO CCCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@@H]1C ZINC000095882822 347699041 /nfs/dbraw/zinc/69/90/41/347699041.db2.gz AUMQUVNLMMEFEG-CJNGLKHVSA-N 1 1 261.365 2.949 50 0 CFAAMO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1CC[N@@H+]3CCO2 ZINC000096027997 347700290 /nfs/dbraw/zinc/70/02/90/347700290.db2.gz QPFORCJJDFGHAV-BLLLJJGKSA-N 1 1 259.349 2.876 50 0 CFAAMO COC(=O)NCCCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000096027360 347700662 /nfs/dbraw/zinc/70/06/62/347700662.db2.gz TYEXSNSCDAMGCR-BETUJISGSA-N 1 1 256.390 2.776 50 0 CFAAMO CC(C)N1CCC([NH2+][C@@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000097238266 347708554 /nfs/dbraw/zinc/70/85/54/347708554.db2.gz WJNLRSDGVACJSB-DZGCQCFKSA-N 1 1 280.412 2.554 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000097373003 347708793 /nfs/dbraw/zinc/70/87/93/347708793.db2.gz FRRPKHYAGQYJEL-TZMCWYRMSA-N 1 1 262.401 2.810 50 0 CFAAMO CCc1[nH+]ccn1CCOC(=O)Nc1ccccc1 ZINC000097375601 347709632 /nfs/dbraw/zinc/70/96/32/347709632.db2.gz JYIXXBKOBSFZAD-UHFFFAOYSA-N 1 1 259.309 2.694 50 0 CFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC000110632159 347749097 /nfs/dbraw/zinc/74/90/97/347749097.db2.gz JAQHZORBDHAHRD-OLZOCXBDSA-N 1 1 280.437 2.652 50 0 CFAAMO COc1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)ccc1O ZINC000194974994 348145215 /nfs/dbraw/zinc/14/52/15/348145215.db2.gz YVKCVJXREGYMHJ-QWRGUYRKSA-N 1 1 267.394 2.727 50 0 CFAAMO C[C@H](C[N@@H+]1CC[S@@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000195573071 348147362 /nfs/dbraw/zinc/14/73/62/348147362.db2.gz FCZPJWVBKKNFNG-CWTRNNRKSA-N 1 1 283.412 2.772 50 0 CFAAMO C[C@H](C[N@H+]1CC[S@@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000195573071 348147364 /nfs/dbraw/zinc/14/73/64/348147364.db2.gz FCZPJWVBKKNFNG-CWTRNNRKSA-N 1 1 283.412 2.772 50 0 CFAAMO Cc1cnc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)o1 ZINC000390833999 348544048 /nfs/dbraw/zinc/54/40/48/348544048.db2.gz QFJFHTKIFBLDJZ-GFCCVEGCSA-N 1 1 271.320 2.584 50 0 CFAAMO Cc1cc(CN[C@@H](C)C[NH+]2CCCCC2)cnc1C ZINC000584888302 348728074 /nfs/dbraw/zinc/72/80/74/348728074.db2.gz USTSLTXPUBRTOW-AWEZNQCLSA-N 1 1 261.413 2.662 50 0 CFAAMO CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)CSC(C)C)C1 ZINC000584892307 348729182 /nfs/dbraw/zinc/72/91/82/348729182.db2.gz UVHCKYODSHIGDU-CQSZACIVSA-N 1 1 286.485 2.564 50 0 CFAAMO Cc1cc(C)c(CN(C)C[C@@H]2CCC[N@H+]2C)c(C)c1CO ZINC000584894417 348730431 /nfs/dbraw/zinc/73/04/31/348730431.db2.gz QQSBTSQDGSKPEM-INIZCTEOSA-N 1 1 290.451 2.630 50 0 CFAAMO Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CCCN2C)c(C)c1CO ZINC000584894417 348730433 /nfs/dbraw/zinc/73/04/33/348730433.db2.gz QQSBTSQDGSKPEM-INIZCTEOSA-N 1 1 290.451 2.630 50 0 CFAAMO Cc1cc(C)c(C[N@H+](C)C[C@@H]2CCCN2C)c(C)c1CO ZINC000584894417 348730437 /nfs/dbraw/zinc/73/04/37/348730437.db2.gz QQSBTSQDGSKPEM-INIZCTEOSA-N 1 1 290.451 2.630 50 0 CFAAMO Cn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000075552428 539704611 /nfs/dbraw/zinc/70/46/11/539704611.db2.gz AEKKZJYKWWVKCO-OAHLLOKOSA-N 1 1 295.390 2.676 50 0 CFAAMO COC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(C)c2)CC1(C)C ZINC000091289620 180121825 /nfs/dbraw/zinc/12/18/25/180121825.db2.gz FGIUQMJCVQYRKM-QGZVFWFLSA-N 1 1 295.398 2.744 50 0 CFAAMO CC(C)=CC[C@]1(CO)CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000091426780 180152328 /nfs/dbraw/zinc/15/23/28/180152328.db2.gz STLMIMBWGQHRDQ-QGZVFWFLSA-N 1 1 289.423 2.716 50 0 CFAAMO COc1cccc(OC)c1C[N@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091574726 180197189 /nfs/dbraw/zinc/19/71/89/180197189.db2.gz SLOHNFLKCGNWID-KRWDZBQOSA-N 1 1 293.407 2.687 50 0 CFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1c(F)cccc1Cl ZINC000091587367 180200079 /nfs/dbraw/zinc/20/00/79/180200079.db2.gz WANZKZDQFCENDI-CQSZACIVSA-N 1 1 298.789 2.970 50 0 CFAAMO COCC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC000091593138 180201659 /nfs/dbraw/zinc/20/16/59/180201659.db2.gz VWJCJUYTQCSHAL-CZUORRHYSA-N 1 1 297.826 2.949 50 0 CFAAMO c1cc(NC[C@@H]2CC[N@H+](C3CCCCC3)C2)ncn1 ZINC000091535064 180182444 /nfs/dbraw/zinc/18/24/44/180182444.db2.gz HVNNLFREMGZNPY-ZDUSSCGKSA-N 1 1 260.385 2.543 50 0 CFAAMO CC[N@@H+](C)C1(CNc2ncnc(C)c2C)CCCC1 ZINC000091691474 180227443 /nfs/dbraw/zinc/22/74/43/180227443.db2.gz CFTICYXZDXQIMA-UHFFFAOYSA-N 1 1 262.401 2.770 50 0 CFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1F)C2 ZINC000091616716 180209089 /nfs/dbraw/zinc/20/90/89/180209089.db2.gz POUSOESHVMOWGM-ZIAGYGMSSA-N 1 1 290.382 2.772 50 0 CFAAMO CCCc1ccc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)o1 ZINC000091756794 180247413 /nfs/dbraw/zinc/24/74/13/180247413.db2.gz ZKXLIUHIXVBBCK-DOMZBBRYSA-N 1 1 251.370 2.825 50 0 CFAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000091808133 180260664 /nfs/dbraw/zinc/26/06/64/180260664.db2.gz FDZXEHZHKZPNJS-NWDGAFQWSA-N 1 1 298.839 2.844 50 0 CFAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(Cl)s2)C1 ZINC000091808133 180260667 /nfs/dbraw/zinc/26/06/67/180260667.db2.gz FDZXEHZHKZPNJS-NWDGAFQWSA-N 1 1 298.839 2.844 50 0 CFAAMO Cc1nc(N)cc(NCCCc2ccccc2F)[nH+]1 ZINC000092081299 180319580 /nfs/dbraw/zinc/31/95/80/180319580.db2.gz JNCNZMOZLKVXEC-UHFFFAOYSA-N 1 1 260.316 2.551 50 0 CFAAMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)CC(C)(C)C ZINC000092217715 180345359 /nfs/dbraw/zinc/34/53/59/180345359.db2.gz ICOWFYMUAWOKIW-QGZVFWFLSA-N 1 1 253.411 2.902 50 0 CFAAMO CC(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106135346 186103669 /nfs/dbraw/zinc/10/36/69/186103669.db2.gz KJUMQUAIEXQQOC-HIFRSBDPSA-N 1 1 260.381 2.594 50 0 CFAAMO OCC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000106622403 186128914 /nfs/dbraw/zinc/12/89/14/186128914.db2.gz FKACIXYDVJEAQW-GJZGRUSLSA-N 1 1 283.799 2.610 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@H]2c2nc([C@H]3CCOC3)no2)cc1 ZINC000108140256 186206442 /nfs/dbraw/zinc/20/64/42/186206442.db2.gz TZYNOGGWGYHJTN-GJZGRUSLSA-N 1 1 299.374 2.911 50 0 CFAAMO c1ccc(C[N@H+]2CCC[C@H]2c2nc([C@H]3CCOC3)no2)cc1 ZINC000108140256 186206443 /nfs/dbraw/zinc/20/64/43/186206443.db2.gz TZYNOGGWGYHJTN-GJZGRUSLSA-N 1 1 299.374 2.911 50 0 CFAAMO Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000245339292 539978796 /nfs/dbraw/zinc/97/87/96/539978796.db2.gz RTRGTKAPYXMOEE-UAGQMJEPSA-N 1 1 299.418 2.943 50 0 CFAAMO Cc1cccc(NCc2ccccc2CS(C)(=O)=O)[nH+]1 ZINC000157869657 188343790 /nfs/dbraw/zinc/34/37/90/188343790.db2.gz ZOSCGFIKNKELCM-UHFFFAOYSA-N 1 1 290.388 2.547 50 0 CFAAMO Cc1ccc(C[NH2+][C@H](C)c2nnc3n2CCCC3)s1 ZINC000084205521 540197547 /nfs/dbraw/zinc/19/75/47/540197547.db2.gz JGJDLCZWVKCUGI-LLVKDONJSA-N 1 1 276.409 2.835 50 0 CFAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CC3CCCC3)C2)o1 ZINC000084258816 540198012 /nfs/dbraw/zinc/19/80/12/540198012.db2.gz BDYXNBISACXSQT-HNNXBMFYSA-N 1 1 277.412 2.679 50 0 CFAAMO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C[C@H]1C ZINC000253618398 540561133 /nfs/dbraw/zinc/56/11/33/540561133.db2.gz YKLWOBFFFWQBEX-KBMXLJTQSA-N 1 1 293.455 2.833 50 0 CFAAMO COC(=O)c1oc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1C ZINC000179141605 189172274 /nfs/dbraw/zinc/17/22/74/189172274.db2.gz VMEVKEOMKKKUHN-LBPRGKRZSA-N 1 1 288.347 2.963 50 0 CFAAMO COC(=O)c1oc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1C ZINC000179141605 189172275 /nfs/dbraw/zinc/17/22/75/189172275.db2.gz VMEVKEOMKKKUHN-LBPRGKRZSA-N 1 1 288.347 2.963 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000179564641 189202235 /nfs/dbraw/zinc/20/22/35/189202235.db2.gz KJLRQSRRVTXTNY-GFCCVEGCSA-N 1 1 266.348 2.941 50 0 CFAAMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000179564641 189202236 /nfs/dbraw/zinc/20/22/36/189202236.db2.gz KJLRQSRRVTXTNY-GFCCVEGCSA-N 1 1 266.348 2.941 50 0 CFAAMO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1 ZINC000179670534 189212196 /nfs/dbraw/zinc/21/21/96/189212196.db2.gz SETOBWKAXUPQQU-CYBMUJFWSA-N 1 1 293.370 2.784 50 0 CFAAMO Cc1cc(C)c(C[N@@H+](C)C[C@H]2CCOC2)c(-n2cccn2)c1 ZINC000670437724 540994427 /nfs/dbraw/zinc/99/44/27/540994427.db2.gz QVBNGEQCQNMXLP-MRXNPFEDSA-N 1 1 299.418 2.957 50 0 CFAAMO C[C@H](c1ncnn1Cc1ccccc1)[NH+]1CCCCC1 ZINC000670439854 540995946 /nfs/dbraw/zinc/99/59/46/540995946.db2.gz QBAFMXIPRXHQEZ-CQSZACIVSA-N 1 1 270.380 2.873 50 0 CFAAMO Cc1ccc(OCC[N@H+]2CC[C@H](C(C)(C)O)C2)cc1C ZINC000670442278 540996195 /nfs/dbraw/zinc/99/61/95/540996195.db2.gz RSVWIUALBAQQNK-HNNXBMFYSA-N 1 1 277.408 2.775 50 0 CFAAMO C[N@@H+](Cc1ccccc1Cl)CC1(CO)CCC1 ZINC000670444875 540997283 /nfs/dbraw/zinc/99/72/83/540997283.db2.gz NOQPCHKTFMTUCK-UHFFFAOYSA-N 1 1 253.773 2.934 50 0 CFAAMO OCCC[C@@H]1CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC000670446915 540997773 /nfs/dbraw/zinc/99/77/73/540997773.db2.gz LIPRXORIZSZFKV-LBPRGKRZSA-N 1 1 268.788 2.720 50 0 CFAAMO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CSCCSC1 ZINC000670454176 541000215 /nfs/dbraw/zinc/00/02/15/541000215.db2.gz MSNUGUGOINLCFL-CQSZACIVSA-N 1 1 295.473 2.771 50 0 CFAAMO COc1ccc(-n2ncnc2[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000670455307 541000744 /nfs/dbraw/zinc/00/07/44/541000744.db2.gz OGSNWAZSSJFCRK-CYBMUJFWSA-N 1 1 286.379 2.823 50 0 CFAAMO Fc1ccccc1OC[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000670456183 541001645 /nfs/dbraw/zinc/00/16/45/541001645.db2.gz UVGSTTHOHYKQGB-CYBMUJFWSA-N 1 1 289.354 2.840 50 0 CFAAMO Fc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000670456183 541001649 /nfs/dbraw/zinc/00/16/49/541001649.db2.gz UVGSTTHOHYKQGB-CYBMUJFWSA-N 1 1 289.354 2.840 50 0 CFAAMO Cc1cccc(CC[N@H+]2CC[C@](O)(c3ccccc3)C2)n1 ZINC000670457274 541001748 /nfs/dbraw/zinc/00/17/48/541001748.db2.gz JLTBTCKTIJZKKA-GOSISDBHSA-N 1 1 282.387 2.526 50 0 CFAAMO C[N@@H+](CCc1nc2cc(F)ccc2[nH]1)Cc1cncs1 ZINC000670458655 541002153 /nfs/dbraw/zinc/00/21/53/541002153.db2.gz NTVKDSUXFVCDIV-UHFFFAOYSA-N 1 1 290.367 2.833 50 0 CFAAMO CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)co1 ZINC000670462939 541005195 /nfs/dbraw/zinc/00/51/95/541005195.db2.gz BOMDOWREEYCSQA-GFCCVEGCSA-N 1 1 274.368 2.901 50 0 CFAAMO CC(C)c1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)co1 ZINC000670462939 541005198 /nfs/dbraw/zinc/00/51/98/541005198.db2.gz BOMDOWREEYCSQA-GFCCVEGCSA-N 1 1 274.368 2.901 50 0 CFAAMO COc1cc(F)c(C[N@H+]2CC[C@H](C(C)(C)O)C2)c(F)c1 ZINC000670465985 541006397 /nfs/dbraw/zinc/00/63/97/541006397.db2.gz NWXWVFBWHJDPHW-JTQLQIEISA-N 1 1 285.334 2.566 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2n1C ZINC000670466913 541006469 /nfs/dbraw/zinc/00/64/69/541006469.db2.gz ZXALSOGOLXRDMZ-WDNDVIMCSA-N 1 1 285.391 2.715 50 0 CFAAMO CN(C)C1(CNc2nccc3ccccc32)CC[NH+](C)CC1 ZINC000823759413 781937325 /nfs/dbraw/zinc/93/73/25/781937325.db2.gz IJZWVUVDNUCXCC-UHFFFAOYSA-N 1 1 298.434 2.673 50 0 CFAAMO C[C@](O)(CNc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000301881146 201245708 /nfs/dbraw/zinc/24/57/08/201245708.db2.gz LYCZNWFGYUKSOO-AWEZNQCLSA-N 1 1 273.361 2.944 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCc2ccccn2)c(OC)c1 ZINC000000200567 371556156 /nfs/dbraw/zinc/55/61/56/371556156.db2.gz XVFYVJJKHFGXGN-UHFFFAOYSA-N 1 1 286.375 2.773 50 0 CFAAMO CCOC(=O)c1c(C)nc2c([C@@H]3CCC[N@H+]3C)cccn21 ZINC000000134536 371540325 /nfs/dbraw/zinc/54/03/25/371540325.db2.gz AVXVXRXGZMJEJY-ZDUSSCGKSA-N 1 1 287.363 2.586 50 0 CFAAMO C[N@@H+](CCc1ccccc1)C[C@H](O)c1ccccc1 ZINC000000213392 371558902 /nfs/dbraw/zinc/55/89/02/371558902.db2.gz FQAPRQPZGXEXHX-KRWDZBQOSA-N 1 1 255.361 2.895 50 0 CFAAMO CC1=CC[C@H](COC(=O)C[NH+]2CCCCC2)CC1 ZINC000000238728 371564123 /nfs/dbraw/zinc/56/41/23/371564123.db2.gz ZXBVJDZHAACDFU-AWEZNQCLSA-N 1 1 251.370 2.762 50 0 CFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000000237107 371564171 /nfs/dbraw/zinc/56/41/71/371564171.db2.gz VUWRDFUUSQZNNM-HNNXBMFYSA-N 1 1 292.398 2.906 50 0 CFAAMO COc1cccc(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000000277107 371577096 /nfs/dbraw/zinc/57/70/96/371577096.db2.gz GOEJXDYOKXHHEG-UHFFFAOYSA-N 1 1 272.348 2.610 50 0 CFAAMO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000757121 371647595 /nfs/dbraw/zinc/64/75/95/371647595.db2.gz AVDQZGGUVJXHCZ-JTQLQIEISA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000757121 371647598 /nfs/dbraw/zinc/64/75/98/371647598.db2.gz AVDQZGGUVJXHCZ-JTQLQIEISA-N 1 1 287.190 2.691 50 0 CFAAMO CCCN1CCC([NH2+]CCc2ccccc2OC)CC1 ZINC000000761383 371649387 /nfs/dbraw/zinc/64/93/87/371649387.db2.gz YIOFMJAQYKCYRI-UHFFFAOYSA-N 1 1 276.424 2.702 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000001024530 371657633 /nfs/dbraw/zinc/65/76/33/371657633.db2.gz BBMNTDYLHOUHAS-DZGCQCFKSA-N 1 1 286.375 2.583 50 0 CFAAMO c1ccc2c(c1)CCO[C@@H]2CNCCC[NH+]1CCCCC1 ZINC000001836150 371708426 /nfs/dbraw/zinc/70/84/26/371708426.db2.gz JMUZORWKBQAOBK-GOSISDBHSA-N 1 1 288.435 2.766 50 0 CFAAMO CCc1ccc(C[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000002387469 371726269 /nfs/dbraw/zinc/72/62/69/371726269.db2.gz CZHRRKKPZIBEFS-JJRVBVJISA-N 1 1 261.409 2.883 50 0 CFAAMO COc1ccc2[nH]cc([C@H](O)C[N@H+]3CCC[C@@H](C)C3)c2c1 ZINC000002404044 371726541 /nfs/dbraw/zinc/72/65/41/371726541.db2.gz NPLPQYZRGWDEBQ-SJKOYZFVSA-N 1 1 288.391 2.942 50 0 CFAAMO CCOC(=O)CCCC(=O)c1cccc(C[NH+]2CCC2)c1 ZINC000002515153 371731937 /nfs/dbraw/zinc/73/19/37/371731937.db2.gz KNBFVVRERFMAKY-UHFFFAOYSA-N 1 1 289.375 2.808 50 0 CFAAMO Cc1cc(C)cc(NC(=O)C[N@H+](C)CCc2ccccn2)c1 ZINC000003221495 371781097 /nfs/dbraw/zinc/78/10/97/371781097.db2.gz LUCQLNYXKJRECF-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO Cc1cc(C)cc(NC(=O)C[N@@H+](C)CCc2ccccn2)c1 ZINC000003221495 371781104 /nfs/dbraw/zinc/78/11/04/371781104.db2.gz LUCQLNYXKJRECF-UHFFFAOYSA-N 1 1 297.402 2.811 50 0 CFAAMO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@@H]1CO ZINC000004021279 371829157 /nfs/dbraw/zinc/82/91/57/371829157.db2.gz BRNHCAQZRAUXMI-GXTWGEPZSA-N 1 1 251.345 2.604 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000004263184 371845863 /nfs/dbraw/zinc/84/58/63/371845863.db2.gz CRZVQVZEELAJAD-PBHICJAKSA-N 1 1 289.419 2.789 50 0 CFAAMO COc1cc(C[NH2+]Cc2ccco2)cc(OC)c1OC ZINC000004298681 371847683 /nfs/dbraw/zinc/84/76/83/371847683.db2.gz PMKYUHRVKDVASG-UHFFFAOYSA-N 1 1 277.320 2.595 50 0 CFAAMO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000004305002 371848787 /nfs/dbraw/zinc/84/87/87/371848787.db2.gz VDGUYYDRKTUPQS-XJKSGUPXSA-N 1 1 277.408 2.775 50 0 CFAAMO CCc1[nH]c(C)c(C=C2C(=O)Nc3ccccc32)[nH+]1 ZINC000004302693 371849320 /nfs/dbraw/zinc/84/93/20/371849320.db2.gz NKAPDMFASDJUOH-FLIBITNWSA-N 1 1 253.305 2.773 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000004144218 371836893 /nfs/dbraw/zinc/83/68/93/371836893.db2.gz OBVOCZTXJINSPD-OCCSQVGLSA-N 1 1 283.799 2.812 50 0 CFAAMO Cc1ccc(CCCOC(=O)C[NH+]2CCCCC2)cc1 ZINC000004184313 371840309 /nfs/dbraw/zinc/84/03/09/371840309.db2.gz FXKVMTGIDSOWDG-UHFFFAOYSA-N 1 1 275.392 2.957 50 0 CFAAMO CSc1ccc(/C=C\C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000006497645 371890267 /nfs/dbraw/zinc/89/02/67/371890267.db2.gz YDJZWUINKIPRDL-TWGQIWQCSA-N 1 1 290.432 2.586 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)no1 ZINC000010339845 371905446 /nfs/dbraw/zinc/90/54/46/371905446.db2.gz CEYRUNMQDDVGPL-AWEZNQCLSA-N 1 1 285.347 2.759 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)no1 ZINC000010339845 371905453 /nfs/dbraw/zinc/90/54/53/371905453.db2.gz CEYRUNMQDDVGPL-AWEZNQCLSA-N 1 1 285.347 2.759 50 0 CFAAMO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000011879368 371933318 /nfs/dbraw/zinc/93/33/18/371933318.db2.gz ALCNIPUIUOWWPW-HNNXBMFYSA-N 1 1 289.419 2.871 50 0 CFAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000012475461 371964462 /nfs/dbraw/zinc/96/44/62/371964462.db2.gz PDHGYLYAZCWQBM-SNVBAGLBSA-N 1 1 267.756 2.873 50 0 CFAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2c[nH]c3ccccc23)C1 ZINC000012436748 371965187 /nfs/dbraw/zinc/96/51/87/371965187.db2.gz XTZAJWIPFFKQJR-MLGOLLRUSA-N 1 1 258.365 2.933 50 0 CFAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000012226228 371950319 /nfs/dbraw/zinc/95/03/19/371950319.db2.gz TUFSJEQFHLWOCQ-QGZVFWFLSA-N 1 1 298.386 2.717 50 0 CFAAMO C[C@@H]1C[N@@H+](CCOc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000016489352 372109187 /nfs/dbraw/zinc/10/91/87/372109187.db2.gz GMACMQQFZYBZSG-OKILXGFUSA-N 1 1 275.392 2.663 50 0 CFAAMO C[C@@H]1C[N@H+](CCOc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000016489352 372109197 /nfs/dbraw/zinc/10/91/97/372109197.db2.gz GMACMQQFZYBZSG-OKILXGFUSA-N 1 1 275.392 2.663 50 0 CFAAMO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000016333986 372103448 /nfs/dbraw/zinc/10/34/48/372103448.db2.gz OFIKXGZTXUSCPZ-CYBMUJFWSA-N 1 1 288.416 2.885 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 ZINC000018130447 372141222 /nfs/dbraw/zinc/14/12/22/372141222.db2.gz ZNRGQMMCGHDTEI-FUNVUKJBSA-N 1 1 284.359 2.950 50 0 world CFAAMO CCN(CC)CC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000019636256 372178906 /nfs/dbraw/zinc/17/89/06/372178906.db2.gz FQAQNGDPCOZTTN-KRWDZBQOSA-N 1 1 260.425 2.818 50 0 CFAAMO CCN(CC)CC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000019636256 372178910 /nfs/dbraw/zinc/17/89/10/372178910.db2.gz FQAQNGDPCOZTTN-KRWDZBQOSA-N 1 1 260.425 2.818 50 0 CFAAMO COc1ccc(CC[C@@H](C)[N@@H+](C)CCN(C)C)cc1 ZINC000019636663 372179053 /nfs/dbraw/zinc/17/90/53/372179053.db2.gz HAZUIYBYHVIOTO-CQSZACIVSA-N 1 1 264.413 2.510 50 0 CFAAMO C[NH+]1CCN(C[C@H](O)c2ccc(C3CCCC3)cc2)CC1 ZINC000019802313 372190206 /nfs/dbraw/zinc/19/02/06/372190206.db2.gz ZHALKFDDTVRRCV-SFHVURJKSA-N 1 1 288.435 2.625 50 0 CFAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccccc2)CC1 ZINC000022028117 372243981 /nfs/dbraw/zinc/24/39/81/372243981.db2.gz UXPSTDJDKFJEED-UHFFFAOYSA-N 1 1 294.398 2.665 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccco1 ZINC000022858468 372246814 /nfs/dbraw/zinc/24/68/14/372246814.db2.gz XLJRHEGISLXNSQ-CYBMUJFWSA-N 1 1 294.301 2.591 50 0 CFAAMO COc1ccccc1[C@@H](CNC(=O)c1ccccc1)[NH+](C)C ZINC000023694029 372265052 /nfs/dbraw/zinc/26/50/52/372265052.db2.gz OYBCSTNTPBBEFP-MRXNPFEDSA-N 1 1 298.386 2.728 50 0 CFAAMO C[C@@H](CNC(=O)C[C@@H]1C=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000025941180 372311125 /nfs/dbraw/zinc/31/11/25/372311125.db2.gz DBAXTLJCTUOZDF-JKSUJKDBSA-N 1 1 298.430 2.906 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)C1CCC1)c1ccccc1Cl ZINC000027346571 372339313 /nfs/dbraw/zinc/33/93/13/372339313.db2.gz FXHOVRWPFNFSGK-CQSZACIVSA-N 1 1 280.799 2.859 50 0 CFAAMO CCCCC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000027794304 372348510 /nfs/dbraw/zinc/34/85/10/372348510.db2.gz PSWKEKUVJLOEOO-CQSZACIVSA-N 1 1 278.396 2.604 50 0 CFAAMO OC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000028962475 372372976 /nfs/dbraw/zinc/37/29/76/372372976.db2.gz PCVCGJQYIDCYKZ-UHFFFAOYSA-N 1 1 292.766 2.952 50 0 CFAAMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000030270436 372391054 /nfs/dbraw/zinc/39/10/54/372391054.db2.gz WVLJJJORUZISOV-JTQLQIEISA-N 1 1 298.408 2.594 50 0 CFAAMO Cc1ccc2nc(C[N@H+]([C@@H](C)C3CC3)C3CC3)cc(=O)n2c1 ZINC000031654325 372413954 /nfs/dbraw/zinc/41/39/54/372413954.db2.gz MSUHECUYRBXXHQ-ZDUSSCGKSA-N 1 1 297.402 2.766 50 0 CFAAMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1c(C)n[nH]c1C ZINC000032928807 372478004 /nfs/dbraw/zinc/47/80/04/372478004.db2.gz DXGNDLHHAUXRTC-UHFFFAOYSA-N 1 1 280.416 2.723 50 0 CFAAMO C[C@@H](CNC(=O)c1ccoc1)[N@@H+]1CCc2sccc2C1 ZINC000032429079 372439659 /nfs/dbraw/zinc/43/96/59/372439659.db2.gz XBOFHFHNINTMSZ-NSHDSACASA-N 1 1 290.388 2.518 50 0 CFAAMO C[C@@H](CNC(=O)c1ccoc1)[N@H+]1CCc2sccc2C1 ZINC000032429079 372439668 /nfs/dbraw/zinc/43/96/68/372439668.db2.gz XBOFHFHNINTMSZ-NSHDSACASA-N 1 1 290.388 2.518 50 0 CFAAMO C[C@@H](c1ccc(-c2ncccn2)cc1)[NH+]1CCOCC1 ZINC000032561852 372445787 /nfs/dbraw/zinc/44/57/87/372445787.db2.gz DUQSEPHPJDDUEY-ZDUSSCGKSA-N 1 1 269.348 2.537 50 0 CFAAMO CC(C)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000032668202 372453136 /nfs/dbraw/zinc/45/31/36/372453136.db2.gz LHGSTNZIGCEWMU-AWEZNQCLSA-N 1 1 260.381 2.548 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000032758319 372459114 /nfs/dbraw/zinc/45/91/14/372459114.db2.gz KIYCTFMCQPORQI-CQSZACIVSA-N 1 1 292.379 2.906 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000032758319 372459123 /nfs/dbraw/zinc/45/91/23/372459123.db2.gz KIYCTFMCQPORQI-CQSZACIVSA-N 1 1 292.379 2.906 50 0 CFAAMO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000032754472 372459285 /nfs/dbraw/zinc/45/92/85/372459285.db2.gz AOVOPWNPNOZCCM-GFCCVEGCSA-N 1 1 274.364 2.950 50 0 CFAAMO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000032754472 372459293 /nfs/dbraw/zinc/45/92/93/372459293.db2.gz AOVOPWNPNOZCCM-GFCCVEGCSA-N 1 1 274.364 2.950 50 0 CFAAMO CC[C@H](C)[N@H+](Cc1cccn1C)C[C@H](O)COC(C)(C)C ZINC000036098146 372559147 /nfs/dbraw/zinc/55/91/47/372559147.db2.gz VUTLPXRKTSBDFA-HOCLYGCPSA-N 1 1 296.455 2.802 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NC1CCCC1 ZINC000036393225 372578801 /nfs/dbraw/zinc/57/88/01/372578801.db2.gz ZHLOWYFADBTFMK-CQSZACIVSA-N 1 1 278.421 2.944 50 0 CFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NC1CCCC1 ZINC000036393225 372578808 /nfs/dbraw/zinc/57/88/08/372578808.db2.gz ZHLOWYFADBTFMK-CQSZACIVSA-N 1 1 278.421 2.944 50 0 CFAAMO O=C(Nc1ccccc1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000036644043 372585128 /nfs/dbraw/zinc/58/51/28/372585128.db2.gz WAECOEPXMDOKRQ-MRXNPFEDSA-N 1 1 296.370 2.995 50 0 CFAAMO O=C(Nc1ccccc1O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000036644043 372585134 /nfs/dbraw/zinc/58/51/34/372585134.db2.gz WAECOEPXMDOKRQ-MRXNPFEDSA-N 1 1 296.370 2.995 50 0 CFAAMO C[C@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)NC(C)(C)C ZINC000042302837 372904451 /nfs/dbraw/zinc/90/44/51/372904451.db2.gz FSFZGMQSBSHPIZ-QWRGUYRKSA-N 1 1 266.360 2.780 50 0 CFAAMO Cc1nn(C)c(Cl)c1C[N@@H+](CCO)C1CCCCC1 ZINC000042503437 372928581 /nfs/dbraw/zinc/92/85/81/372928581.db2.gz NLBQFBRRUHNQJK-UHFFFAOYSA-N 1 1 285.819 2.509 50 0 CFAAMO CC(C)[N@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000043139803 372976976 /nfs/dbraw/zinc/97/69/76/372976976.db2.gz MXEBPWWSMMUJEM-OAHLLOKOSA-N 1 1 298.434 2.991 50 0 CFAAMO CC(C)[N@@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C[C@H]1C ZINC000043139803 372976984 /nfs/dbraw/zinc/97/69/84/372976984.db2.gz MXEBPWWSMMUJEM-OAHLLOKOSA-N 1 1 298.434 2.991 50 0 CFAAMO CC(C)[N@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C[C@H]1C ZINC000043139803 372976993 /nfs/dbraw/zinc/97/69/93/372976993.db2.gz MXEBPWWSMMUJEM-OAHLLOKOSA-N 1 1 298.434 2.991 50 0 CFAAMO CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000048827977 373225172 /nfs/dbraw/zinc/22/51/72/373225172.db2.gz KPBRQBXZPMKOFZ-CQSZACIVSA-N 1 1 289.423 2.738 50 0 CFAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000048926140 373230833 /nfs/dbraw/zinc/23/08/33/373230833.db2.gz PDSAWJSLCPKGPZ-VXGBXAGGSA-N 1 1 295.814 2.585 50 0 CFAAMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000048926142 373232169 /nfs/dbraw/zinc/23/21/69/373232169.db2.gz PDSAWJSLCPKGPZ-NWDGAFQWSA-N 1 1 295.814 2.585 50 0 CFAAMO CC(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000048920178 373232259 /nfs/dbraw/zinc/23/22/59/373232259.db2.gz KJUMQUAIEXQQOC-ZFWWWQNUSA-N 1 1 260.381 2.594 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2F)C1 ZINC000049479567 373301864 /nfs/dbraw/zinc/30/18/64/373301864.db2.gz JVHJNFWYEPDBFK-ZDUSSCGKSA-N 1 1 278.371 2.676 50 0 CFAAMO Cn1ccc(C[N@@H+](C2CC2)C2CCCCC2)cc1=O ZINC000051880854 373414790 /nfs/dbraw/zinc/41/47/90/373414790.db2.gz FVVFLWZUZHINDD-UHFFFAOYSA-N 1 1 260.381 2.682 50 0 CFAAMO O[C@H](C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000051404365 373394877 /nfs/dbraw/zinc/39/48/77/373394877.db2.gz CQBXLOKIOYENSS-XHSDSOJGSA-N 1 1 297.345 2.642 50 0 CFAAMO O[C@H](C[N@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000051404365 373394889 /nfs/dbraw/zinc/39/48/89/373394889.db2.gz CQBXLOKIOYENSS-XHSDSOJGSA-N 1 1 297.345 2.642 50 0 CFAAMO C[NH+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000052635589 373448802 /nfs/dbraw/zinc/44/88/02/373448802.db2.gz SQXFPALYDCCYQO-MRXNPFEDSA-N 1 1 268.360 2.606 50 0 CFAAMO C[C@@H]([NH3+])C(=O)OC(C)(C)Cc1ccc(Cl)cc1 ZINC000052969658 373460740 /nfs/dbraw/zinc/46/07/40/373460740.db2.gz FZSPJBYOKQPKCD-SECBINFHSA-N 1 1 255.745 2.552 50 0 in-man CFAAMO CC(C)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000053150926 373465533 /nfs/dbraw/zinc/46/55/33/373465533.db2.gz XFJFQNAXMJULNU-NSHDSACASA-N 1 1 266.410 2.534 50 0 CFAAMO CC(C)N(C)C(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000053150926 373465537 /nfs/dbraw/zinc/46/55/37/373465537.db2.gz XFJFQNAXMJULNU-NSHDSACASA-N 1 1 266.410 2.534 50 0 CFAAMO CC[C@H]1CCCC[N@@H+]1CN1C(=O)c2ccccc2C1=O ZINC000054201868 373504146 /nfs/dbraw/zinc/50/41/46/373504146.db2.gz GTHRDDXAAKTDJS-LBPRGKRZSA-N 1 1 272.348 2.505 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1CN1C(=O)c2ccccc2C1=O ZINC000054201868 373504160 /nfs/dbraw/zinc/50/41/60/373504160.db2.gz GTHRDDXAAKTDJS-LBPRGKRZSA-N 1 1 272.348 2.505 50 0 CFAAMO CC(C)c1ccc(/C=C/C(=O)N2CC[NH+](C)CC2)cc1 ZINC000054566323 373527582 /nfs/dbraw/zinc/52/75/82/373527582.db2.gz XLJRRPSIEOLGNH-RMKNXTFCSA-N 1 1 272.392 2.597 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000057273899 373583352 /nfs/dbraw/zinc/58/33/52/373583352.db2.gz XWTMOYIDANLWKG-UHFFFAOYSA-N 1 1 285.391 2.935 50 0 CFAAMO Fc1ccc(-n2nnnc2/C=C/[NH+]2CCCCCC2)cc1 ZINC000055135618 373542184 /nfs/dbraw/zinc/54/21/84/373542184.db2.gz PRSJZXQSUYISRO-FMIVXFBMSA-N 1 1 287.342 2.648 50 0 CFAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccccn1 ZINC000055182734 373543417 /nfs/dbraw/zinc/54/34/17/373543417.db2.gz LQDQRWHDWHUQSY-HNNXBMFYSA-N 1 1 276.405 2.916 50 0 CFAAMO C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]Cc2ccccc2F)[C@@H]1C ZINC000058444874 373658743 /nfs/dbraw/zinc/65/87/43/373658743.db2.gz NOHHYXJOLYVXCJ-XJKCOSOUSA-N 1 1 292.398 2.856 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000058407593 373654229 /nfs/dbraw/zinc/65/42/29/373654229.db2.gz DSJBXTCLMYXWTM-UHFFFAOYSA-N 1 1 284.359 2.771 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000058407593 373654234 /nfs/dbraw/zinc/65/42/34/373654234.db2.gz DSJBXTCLMYXWTM-UHFFFAOYSA-N 1 1 284.359 2.771 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000062161090 373755325 /nfs/dbraw/zinc/75/53/25/373755325.db2.gz MGVGPCHWWIMYNN-CYBMUJFWSA-N 1 1 279.380 2.562 50 0 CFAAMO C[C@H](CO)C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000063857631 373817438 /nfs/dbraw/zinc/81/74/38/373817438.db2.gz VXQKGZPEQKTMIM-HNNXBMFYSA-N 1 1 270.376 2.712 50 0 CFAAMO Cc1ccc(C[N@@H+]2CC=C(C(=O)NCC(C)C)CC2)cc1 ZINC000064817981 373835679 /nfs/dbraw/zinc/83/56/79/373835679.db2.gz CDRQAWZKQWHNHM-UHFFFAOYSA-N 1 1 286.419 2.899 50 0 CFAAMO CCCCc1nc(C)c(C(=O)NCC[N@@H+](C)C2CC2)s1 ZINC000063116519 373786009 /nfs/dbraw/zinc/78/60/09/373786009.db2.gz HBHVJFKZNPHWOW-UHFFFAOYSA-N 1 1 295.452 2.618 50 0 CFAAMO Cc1cc2ccccc2nc1N[C@H](C)C[NH+]1CCOCC1 ZINC000063105995 373787225 /nfs/dbraw/zinc/78/72/25/373787225.db2.gz FRICJPRPOFHIIX-CQSZACIVSA-N 1 1 285.391 2.676 50 0 CFAAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000065393523 373864183 /nfs/dbraw/zinc/86/41/83/373864183.db2.gz SVHUVXWVNXQNDL-AWEZNQCLSA-N 1 1 262.397 2.568 50 0 CFAAMO CNC(=O)C[C@@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000065395761 373867092 /nfs/dbraw/zinc/86/70/92/373867092.db2.gz ZBBJEDDVTJGHJV-JWAFFJSPSA-N 1 1 260.381 2.546 50 0 CFAAMO CCc1nc(N[C@H](CC)c2ccnn2C)cc(C)[nH+]1 ZINC000065435884 373872876 /nfs/dbraw/zinc/87/28/76/373872876.db2.gz RPRNNCBZIIJJCM-LLVKDONJSA-N 1 1 259.357 2.644 50 0 CFAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065469272 373876201 /nfs/dbraw/zinc/87/62/01/373876201.db2.gz DEJKEIDIVKKSSE-CQSZACIVSA-N 1 1 297.402 2.705 50 0 CFAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)COc1ccccc1Cl ZINC000066137522 373914061 /nfs/dbraw/zinc/91/40/61/373914061.db2.gz ZQAJZNFTNHLBEN-GFCCVEGCSA-N 1 1 298.814 2.565 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000066151497 373916930 /nfs/dbraw/zinc/91/69/30/373916930.db2.gz ISWDYTOQZVLOCR-INIZCTEOSA-N 1 1 271.360 2.558 50 0 CFAAMO COCC[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540360 373936627 /nfs/dbraw/zinc/93/66/27/373936627.db2.gz GPGGFJASOCJSRO-INIZCTEOSA-N 1 1 256.349 2.749 50 0 CFAAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cn1 ZINC000067757080 373999590 /nfs/dbraw/zinc/99/95/90/373999590.db2.gz FVGDFAQHWSCMIT-MRXNPFEDSA-N 1 1 282.391 2.880 50 0 CFAAMO COCC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C)cc23)CCO1 ZINC000067833395 374006435 /nfs/dbraw/zinc/00/64/35/374006435.db2.gz QBSTYCCRPDMYTL-HNNXBMFYSA-N 1 1 288.391 2.714 50 0 CFAAMO COCC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C)cc23)CCO1 ZINC000067833395 374006442 /nfs/dbraw/zinc/00/64/42/374006442.db2.gz QBSTYCCRPDMYTL-HNNXBMFYSA-N 1 1 288.391 2.714 50 0 CFAAMO COc1ccc2nc(C[NH2+][C@H](C)CC(C)(C)OC)[nH]c2c1 ZINC000067847285 374009669 /nfs/dbraw/zinc/00/96/69/374009669.db2.gz FXVJRJICQYZVCG-LLVKDONJSA-N 1 1 291.395 2.865 50 0 CFAAMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)NC(C)(C)C ZINC000069617078 374078634 /nfs/dbraw/zinc/07/86/34/374078634.db2.gz GSBHRIAIKOTFJX-UWVGGRQHSA-N 1 1 284.350 2.919 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000069620806 374080627 /nfs/dbraw/zinc/08/06/27/374080627.db2.gz XLXLCEMQXVMLKW-KGLIPLIRSA-N 1 1 294.345 2.664 50 0 CFAAMO Fc1ccc(CN2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000068967167 374043420 /nfs/dbraw/zinc/04/34/20/374043420.db2.gz QWZLITCNGKSBKU-UHFFFAOYSA-N 1 1 299.393 2.929 50 0 CFAAMO Fc1ccc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)cc1 ZINC000068967167 374043424 /nfs/dbraw/zinc/04/34/24/374043424.db2.gz QWZLITCNGKSBKU-UHFFFAOYSA-N 1 1 299.393 2.929 50 0 CFAAMO Clc1ccc(C[N@H+]2CCC[C@H]2Cn2cncn2)s1 ZINC000069620854 374081610 /nfs/dbraw/zinc/08/16/10/374081610.db2.gz HNHNPTJOWSTZSM-JTQLQIEISA-N 1 1 282.800 2.658 50 0 CFAAMO Clc1ccccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000069420186 374061100 /nfs/dbraw/zinc/06/11/00/374061100.db2.gz NCOGKCXHTUOPRN-ZDUSSCGKSA-N 1 1 281.783 2.925 50 0 CFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000069452737 374064618 /nfs/dbraw/zinc/06/46/18/374064618.db2.gz LQMBJNDMEBHCJP-VIFPVBQESA-N 1 1 284.812 2.616 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccsc1 ZINC000069521031 374069997 /nfs/dbraw/zinc/06/99/97/374069997.db2.gz MNRVFJVIBVDZAI-GJZGRUSLSA-N 1 1 292.448 2.766 50 0 CFAAMO NC(=O)c1cccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000069520135 374070454 /nfs/dbraw/zinc/07/04/54/374070454.db2.gz LXAIHXZZWAANNW-KRWDZBQOSA-N 1 1 280.371 2.775 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000069528643 374071976 /nfs/dbraw/zinc/07/19/76/374071976.db2.gz HXCSZFBHJUHVJO-GJZGRUSLSA-N 1 1 294.345 2.664 50 0 CFAAMO CC[N@H+]1CCCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000069537648 374072383 /nfs/dbraw/zinc/07/23/83/374072383.db2.gz UZTBGVUKJKQCEQ-UHFFFAOYSA-N 1 1 299.418 2.586 50 0 CFAAMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCCCOC)C1 ZINC000069920560 374109991 /nfs/dbraw/zinc/10/99/91/374109991.db2.gz ISOYCHFYZSCXPK-JKSUJKDBSA-N 1 1 298.471 2.820 50 0 CFAAMO CC(=O)N[C@@H]1CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000069967786 374111816 /nfs/dbraw/zinc/11/18/16/374111816.db2.gz SHXLGWTZMIDXBK-CYBMUJFWSA-N 1 1 296.411 2.518 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@H+]2CCc2cccs2)cn1 ZINC000070006590 374113922 /nfs/dbraw/zinc/11/39/22/374113922.db2.gz FLEZLAVMSWJZPO-AWEZNQCLSA-N 1 1 261.394 2.861 50 0 CFAAMO C[C@@H](C(=O)N1CCCC1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069702676 374087435 /nfs/dbraw/zinc/08/74/35/374087435.db2.gz FFHLQVHGZCQFMF-ZFWWWQNUSA-N 1 1 290.382 2.626 50 0 CFAAMO CCCn1nnnc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000069812296 374100768 /nfs/dbraw/zinc/10/07/68/374100768.db2.gz RWAWRQCBBCMIIB-MRXNPFEDSA-N 1 1 285.395 2.714 50 0 CFAAMO CCCC[N@H+]1CCN(C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000069840532 374101946 /nfs/dbraw/zinc/10/19/46/374101946.db2.gz ANXDHFAREHYFSO-WBVHZDCISA-N 1 1 276.424 2.526 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(C(=O)Nc2ccccc2C)nn1 ZINC000075163847 374466977 /nfs/dbraw/zinc/46/69/77/374466977.db2.gz IUCULILZYQXSJY-UHFFFAOYSA-N 1 1 293.330 2.531 50 0 CFAAMO CCOC[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000076089741 374530560 /nfs/dbraw/zinc/53/05/60/374530560.db2.gz VWUDWBMFYYVTBC-NWANDNLSSA-N 1 1 281.396 2.758 50 0 CFAAMO CC(C)c1[nH+]ccn1CCC(=O)N(C)CC(C)(C)C ZINC000078965992 374579093 /nfs/dbraw/zinc/57/90/93/374579093.db2.gz ATRAUPBHEHAZSG-UHFFFAOYSA-N 1 1 265.401 2.901 50 0 CFAAMO COC[C@@H]1CCC[N@H+](Cc2nc3c(cccc3F)[nH]2)C1 ZINC000079090970 374592739 /nfs/dbraw/zinc/59/27/39/374592739.db2.gz QNQBGZDRKAGXHF-LLVKDONJSA-N 1 1 277.343 2.560 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2nc3c(cccc3F)[nH]2)C1 ZINC000079090970 374592745 /nfs/dbraw/zinc/59/27/45/374592745.db2.gz QNQBGZDRKAGXHF-LLVKDONJSA-N 1 1 277.343 2.560 50 0 CFAAMO COC[C@H]1CCC[N@@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000079091167 374594681 /nfs/dbraw/zinc/59/46/81/374594681.db2.gz YRPUTACQSFFPEC-AWEZNQCLSA-N 1 1 278.396 2.565 50 0 CFAAMO C[C@H]1C[C@H](NCc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338429 374651403 /nfs/dbraw/zinc/65/14/03/374651403.db2.gz YNSJKKNVCACIEU-GOEBONIOSA-N 1 1 284.407 2.552 50 0 CFAAMO Clc1ccc(C2=CC[N@@H+](CCn3cncn3)CC2)cc1 ZINC000083422710 374745145 /nfs/dbraw/zinc/74/51/45/374745145.db2.gz QBOIARZGFYFFEJ-UHFFFAOYSA-N 1 1 288.782 2.721 50 0 CFAAMO Cc1ccsc1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000082087533 374725677 /nfs/dbraw/zinc/72/56/77/374725677.db2.gz FZECXSKRGCLEBJ-LBPRGKRZSA-N 1 1 278.421 2.755 50 0 CFAAMO C/C(=C\c1ccccc1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000082138930 374728023 /nfs/dbraw/zinc/72/80/23/374728023.db2.gz ZGMJGSIIKFJQJJ-JQIJEIRASA-N 1 1 294.402 2.702 50 0 CFAAMO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(C)C)CC2)C12CCC2 ZINC000087709185 374828007 /nfs/dbraw/zinc/82/80/07/374828007.db2.gz ATKRYHLUUZEZQF-HZPDHXFCSA-N 1 1 280.456 2.797 50 0 CFAAMO CC(C)CC[C@H](C)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000084715246 374786620 /nfs/dbraw/zinc/78/66/20/374786620.db2.gz LYLHIANYVMSYEX-RRFJBIMHSA-N 1 1 281.444 2.689 50 0 CFAAMO CSCc1cc(F)ccc1CNC(=O)C[N@@H+](C)C(C)C ZINC000088202852 374837150 /nfs/dbraw/zinc/83/71/50/374837150.db2.gz YVYDLEWDHHLFNZ-UHFFFAOYSA-N 1 1 298.427 2.645 50 0 CFAAMO CC[C@@H](C)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000088519719 374849084 /nfs/dbraw/zinc/84/90/84/374849084.db2.gz YNODHIQYWCWQLK-CHWSQXEVSA-N 1 1 254.418 2.802 50 0 CFAAMO C[N@@H+](Cc1cc(F)ccc1F)C1CCC(CO)CC1 ZINC000089924550 374969059 /nfs/dbraw/zinc/96/90/59/374969059.db2.gz IQGHPDFLXYPCGL-UHFFFAOYSA-N 1 1 269.335 2.948 50 0 CFAAMO C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)[NH+]1CCSCC1 ZINC000089922323 374969078 /nfs/dbraw/zinc/96/90/78/374969078.db2.gz LVCQIEQWKCOTGW-KBXIAJHMSA-N 1 1 296.480 2.603 50 0 CFAAMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2N1C1CC1 ZINC000089834917 374959438 /nfs/dbraw/zinc/95/94/38/374959438.db2.gz SCEBQEXKOXURIY-WBVHZDCISA-N 1 1 284.403 2.662 50 0 CFAAMO O=C(OCC1CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089834927 374959616 /nfs/dbraw/zinc/95/96/16/374959616.db2.gz NZTVOOAMCGDVFV-OAHLLOKOSA-N 1 1 259.349 2.604 50 0 CFAAMO O=C(OCC1CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089834927 374959618 /nfs/dbraw/zinc/95/96/18/374959618.db2.gz NZTVOOAMCGDVFV-OAHLLOKOSA-N 1 1 259.349 2.604 50 0 CFAAMO CCCc1csc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000089960468 374975963 /nfs/dbraw/zinc/97/59/63/374975963.db2.gz SAWBXOOBAGSBFA-VXGBXAGGSA-N 1 1 252.383 2.631 50 0 CFAAMO Oc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812825 375158186 /nfs/dbraw/zinc/15/81/86/375158186.db2.gz FVZXIMHQGKPNBA-HNNXBMFYSA-N 1 1 283.375 2.721 50 0 CFAAMO COc1ccccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000092968125 375170860 /nfs/dbraw/zinc/17/08/60/375170860.db2.gz ADFUINLHXVLYAA-HNNXBMFYSA-N 1 1 271.364 2.729 50 0 CFAAMO c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cs1 ZINC000093134498 375190904 /nfs/dbraw/zinc/19/09/04/375190904.db2.gz ZDQZHIBKABKSCI-ZDUSSCGKSA-N 1 1 288.420 2.665 50 0 CFAAMO Cc1cc(C[N@H+]2CCC[C@@](C)(CO)C2)ccc1F ZINC000093340805 375219727 /nfs/dbraw/zinc/21/97/27/375219727.db2.gz NCBOPJOPJQZHLW-OAHLLOKOSA-N 1 1 251.345 2.729 50 0 CFAAMO CC(C)Cc1ncc(C[N@@H+](C)C[C@@H]2CCOC2)s1 ZINC000093840456 375321610 /nfs/dbraw/zinc/32/16/10/375321610.db2.gz HLMDLOWOHLMVGG-LBPRGKRZSA-N 1 1 268.426 2.810 50 0 CFAAMO CC(C)c1nsc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000094266982 375349470 /nfs/dbraw/zinc/34/94/70/375349470.db2.gz ZNHSISAHWMEXAN-WDEREUQCSA-N 1 1 266.414 2.700 50 0 CFAAMO CCc1c[nH+]c(N)nc1N[C@H](CC)c1cccnc1 ZINC000095353604 375417578 /nfs/dbraw/zinc/41/75/78/375417578.db2.gz ABBDVXSIXLUXJT-GFCCVEGCSA-N 1 1 257.341 2.579 50 0 CFAAMO C[C@@H](c1cccnc1)[N@@H+]1CCN(c2nccs2)[C@H](C)C1 ZINC000095351847 375418310 /nfs/dbraw/zinc/41/83/10/375418310.db2.gz KBDZETBICNYCQR-OLZOCXBDSA-N 1 1 288.420 2.810 50 0 CFAAMO C[C@@H](c1cccnc1)[N@H+]1CCN(c2nccs2)[C@H](C)C1 ZINC000095351847 375418317 /nfs/dbraw/zinc/41/83/17/375418317.db2.gz KBDZETBICNYCQR-OLZOCXBDSA-N 1 1 288.420 2.810 50 0 CFAAMO CCCCSc1nc(NC[C@@H]2CCCCO2)cc(N)[nH+]1 ZINC000095358298 375419800 /nfs/dbraw/zinc/41/98/00/375419800.db2.gz KUIGLZBZWMGIES-NSHDSACASA-N 1 1 296.440 2.932 50 0 CFAAMO CCCCSc1nc(N)cc(NC[C@@H]2CCCCO2)[nH+]1 ZINC000095358298 375419806 /nfs/dbraw/zinc/41/98/06/375419806.db2.gz KUIGLZBZWMGIES-NSHDSACASA-N 1 1 296.440 2.932 50 0 CFAAMO CCCCSc1nc(NC[C@H]2CCCCO2)cc(N)[nH+]1 ZINC000095358299 375420267 /nfs/dbraw/zinc/42/02/67/375420267.db2.gz KUIGLZBZWMGIES-LLVKDONJSA-N 1 1 296.440 2.932 50 0 CFAAMO CCCCSc1nc(N)cc(NC[C@H]2CCCCO2)[nH+]1 ZINC000095358299 375420277 /nfs/dbraw/zinc/42/02/77/375420277.db2.gz KUIGLZBZWMGIES-LLVKDONJSA-N 1 1 296.440 2.932 50 0 CFAAMO CCC[N@H+]1CC[C@@H](Nc2ncnc3nc(C)cc(C)c32)C1 ZINC000095367164 375421110 /nfs/dbraw/zinc/42/11/10/375421110.db2.gz KPWVDMKYJADXBQ-CYBMUJFWSA-N 1 1 285.395 2.538 50 0 CFAAMO CCOCC[N@H+]1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095362954 375422047 /nfs/dbraw/zinc/42/20/47/375422047.db2.gz MEOTXHHLDLNYJS-AWEZNQCLSA-N 1 1 265.401 2.680 50 0 CFAAMO c1nc2c([nH]1)C[N@H+](Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000095375988 375424870 /nfs/dbraw/zinc/42/48/70/375424870.db2.gz VIKAQLDTNQYFAW-UHFFFAOYSA-N 1 1 297.406 2.806 50 0 CFAAMO c1nc2c([nH]1)C[N@@H+](Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000095375988 375424873 /nfs/dbraw/zinc/42/48/73/375424873.db2.gz VIKAQLDTNQYFAW-UHFFFAOYSA-N 1 1 297.406 2.806 50 0 CFAAMO COc1ccc2c(c1)CC[N@@H+](Cc1cscn1)CC2 ZINC000095383748 375427258 /nfs/dbraw/zinc/42/72/58/375427258.db2.gz HOJDCCSMYAHQHA-UHFFFAOYSA-N 1 1 274.389 2.753 50 0 CFAAMO COc1ccc2c(c1)CC[N@H+](Cc1cscn1)CC2 ZINC000095383748 375427261 /nfs/dbraw/zinc/42/72/61/375427261.db2.gz HOJDCCSMYAHQHA-UHFFFAOYSA-N 1 1 274.389 2.753 50 0 CFAAMO COc1ccc([C@H]2[C@@H](CNc3ncccn3)CC[N@H+]2C)cc1 ZINC000095397636 375430317 /nfs/dbraw/zinc/43/03/17/375430317.db2.gz PJPATEZLAMSCFC-ZBFHGGJFSA-N 1 1 298.390 2.590 50 0 CFAAMO c1cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)ccn1 ZINC000095402431 375431595 /nfs/dbraw/zinc/43/15/95/375431595.db2.gz MVVHUTTXSPMCHL-AWEZNQCLSA-N 1 1 284.363 2.722 50 0 CFAAMO CCOCC[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000095400877 375431758 /nfs/dbraw/zinc/43/17/58/375431758.db2.gz GBRYVOCKRMFZME-AWEZNQCLSA-N 1 1 273.380 2.710 50 0 CFAAMO c1ncn(CC[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000095426355 375443358 /nfs/dbraw/zinc/44/33/58/375443358.db2.gz BKTFDQBXFAUFBV-IRXDYDNUSA-N 1 1 282.391 2.679 50 0 CFAAMO CCc1[nH+]ccn1Cc1nnc(-c2cccs2)o1 ZINC000095441061 375451191 /nfs/dbraw/zinc/45/11/91/375451191.db2.gz ZYODFYAANSWLER-UHFFFAOYSA-N 1 1 260.322 2.605 50 0 CFAAMO CCc1oc(C(=O)OC)cc1Cn1cc[nH+]c1C(C)C ZINC000095444434 375452340 /nfs/dbraw/zinc/45/23/40/375452340.db2.gz LYVUYSFWHGAYPX-UHFFFAOYSA-N 1 1 276.336 2.997 50 0 CFAAMO Cc1nc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)cs1 ZINC000097159961 375534215 /nfs/dbraw/zinc/53/42/15/375534215.db2.gz MZOFZADKAJAMKC-UHFFFAOYSA-N 1 1 299.403 2.537 50 0 CFAAMO C[C@H]1C[NH+](C2CC(c3cccc(F)c3)C2)C[C@H](C)N1 ZINC000097165802 375534883 /nfs/dbraw/zinc/53/48/83/375534883.db2.gz ADVOKXJUMRZTRF-AVHCAHFISA-N 1 1 262.372 2.754 50 0 CFAAMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000097200934 375538858 /nfs/dbraw/zinc/53/88/58/375538858.db2.gz HKIUJIPKTPMTSV-MRXNPFEDSA-N 1 1 282.391 2.719 50 0 CFAAMO OC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230856 375541715 /nfs/dbraw/zinc/54/17/15/375541715.db2.gz CUGHMFSERFBZCK-CYBMUJFWSA-N 1 1 294.826 2.754 50 0 CFAAMO CC(C)c1[nH+]ccn1CC(=O)N(CC(F)(F)F)C(C)C ZINC000097236175 375543670 /nfs/dbraw/zinc/54/36/70/375543670.db2.gz PYSBUXJSYQPLTB-UHFFFAOYSA-N 1 1 291.317 2.806 50 0 CFAAMO CC1([C@@H]2CCC[N@@H+](Cc3cccs3)C2)OCCO1 ZINC000097108676 375521839 /nfs/dbraw/zinc/52/18/39/375521839.db2.gz IRBWKUFGDMCEGQ-GFCCVEGCSA-N 1 1 267.394 2.723 50 0 CFAAMO c1cc(N2CCCC2)ncc1C[N@H+]1CCCSCC1 ZINC000097113635 375524945 /nfs/dbraw/zinc/52/49/45/375524945.db2.gz UZMIMVLJHFBGOT-UHFFFAOYSA-N 1 1 277.437 2.621 50 0 CFAAMO Cc1ncccc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000097139207 375527368 /nfs/dbraw/zinc/52/73/68/375527368.db2.gz RMNMKCCQXVPCQK-OAHLLOKOSA-N 1 1 284.407 2.578 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2CCO)cc1C ZINC000097636733 375574832 /nfs/dbraw/zinc/57/48/32/375574832.db2.gz GNSPIJCPPPIBKO-OAHLLOKOSA-N 1 1 263.381 2.659 50 0 CFAAMO Cn1cc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC2)cn1 ZINC000097694837 375579327 /nfs/dbraw/zinc/57/93/27/375579327.db2.gz CEDJWCZOEIHJKA-UHFFFAOYSA-N 1 1 277.318 2.863 50 0 CFAAMO Cn1cc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC2)cn1 ZINC000097694837 375579329 /nfs/dbraw/zinc/57/93/29/375579329.db2.gz CEDJWCZOEIHJKA-UHFFFAOYSA-N 1 1 277.318 2.863 50 0 CFAAMO Cc1n[nH]c(C[N@H+](C)CCC[C@H]2CCCO2)c1Cl ZINC000097730186 375582248 /nfs/dbraw/zinc/58/22/48/375582248.db2.gz SOPPZPHMHKHCJV-NSHDSACASA-N 1 1 271.792 2.763 50 0 CFAAMO Cc1n[nH]c(C[N@@H+](C)CCC[C@H]2CCCO2)c1Cl ZINC000097730186 375582257 /nfs/dbraw/zinc/58/22/57/375582257.db2.gz SOPPZPHMHKHCJV-NSHDSACASA-N 1 1 271.792 2.763 50 0 CFAAMO CC(C)c1cc(C[N@H+](C)Cc2cccc3nonc32)on1 ZINC000097766649 375583877 /nfs/dbraw/zinc/58/38/77/375583877.db2.gz KKUHGCPMUDFPTA-UHFFFAOYSA-N 1 1 286.335 2.966 50 0 CFAAMO CC(C)c1cc(C[N@@H+](C)Cc2cccc3nonc32)on1 ZINC000097766649 375583889 /nfs/dbraw/zinc/58/38/89/375583889.db2.gz KKUHGCPMUDFPTA-UHFFFAOYSA-N 1 1 286.335 2.966 50 0 CFAAMO C[N@H+]1CCC[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000114076418 376046590 /nfs/dbraw/zinc/04/65/90/376046590.db2.gz HJSVTGMOYMJFLA-ZDUSSCGKSA-N 1 1 278.783 2.540 50 0 CFAAMO Nc1nc(NCc2ccccc2)c2ccccc2[nH+]1 ZINC000123007252 376945003 /nfs/dbraw/zinc/94/50/03/376945003.db2.gz AOPGZFMVGYJPSS-UHFFFAOYSA-N 1 1 250.305 2.824 50 0 CFAAMO CN1CC[NH+](CCCSc2ncc(C(C)(C)C)o2)CC1 ZINC000131032363 377648402 /nfs/dbraw/zinc/64/84/02/377648402.db2.gz NAXACHJZQVVXDT-UHFFFAOYSA-N 1 1 297.468 2.702 50 0 CFAAMO CSCc1nnc(SCC[C@H]2CCCC[N@H+]2C)o1 ZINC000330033369 378521456 /nfs/dbraw/zinc/52/14/56/378521456.db2.gz ZQXZVGGRULBCAK-SNVBAGLBSA-N 1 1 287.454 2.899 50 0 CFAAMO CSCc1nnc(SCC[C@@H]2CCCC[N@H+]2C)o1 ZINC000330033367 378521805 /nfs/dbraw/zinc/52/18/05/378521805.db2.gz ZQXZVGGRULBCAK-JTQLQIEISA-N 1 1 287.454 2.899 50 0 CFAAMO CC[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000157405944 378654633 /nfs/dbraw/zinc/65/46/33/378654633.db2.gz BSZAFSYOHRMJPC-MRXNPFEDSA-N 1 1 278.444 2.725 50 0 CFAAMO CC[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cnn(C)c1 ZINC000157405944 378654636 /nfs/dbraw/zinc/65/46/36/378654636.db2.gz BSZAFSYOHRMJPC-MRXNPFEDSA-N 1 1 278.444 2.725 50 0 CFAAMO COc1cccc(C[NH2+]Cc2c(C)noc2C)c1F ZINC000165875386 379044713 /nfs/dbraw/zinc/04/47/13/379044713.db2.gz TVUZEABVAXTXCS-UHFFFAOYSA-N 1 1 264.300 2.729 50 0 CFAAMO C[C@H](CC[N@H+](C)[C@@H](C)C[S@](C)=O)c1ccccc1 ZINC000170607118 379126285 /nfs/dbraw/zinc/12/62/85/379126285.db2.gz FRANEKMOHVLMRS-GLJUWKHASA-N 1 1 267.438 2.879 50 0 CFAAMO Cc1ncc(CN2CC[NH+]([C@@H]3C=CCCC3)CC2)s1 ZINC000171746008 379392608 /nfs/dbraw/zinc/39/26/08/379392608.db2.gz IIMITTOMKZAQRO-CQSZACIVSA-N 1 1 277.437 2.678 50 0 CFAAMO CCCCN1c2ccccc2[N@@H+](CC(=O)CC)C1=N ZINC000409415851 380957705 /nfs/dbraw/zinc/95/77/05/380957705.db2.gz XJENWNPKQGKFBM-UHFFFAOYSA-N 1 1 259.353 2.701 50 0 CFAAMO CCCCN1c2ccccc2[N@H+](CC(=O)CC)C1=N ZINC000409415851 380957715 /nfs/dbraw/zinc/95/77/15/380957715.db2.gz XJENWNPKQGKFBM-UHFFFAOYSA-N 1 1 259.353 2.701 50 0 CFAAMO COC(=O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000408523581 380939698 /nfs/dbraw/zinc/93/96/98/380939698.db2.gz LKYIZTIIMVWGNI-UHFFFAOYSA-N 1 1 284.359 2.587 50 0 CFAAMO CC1(C)C[N@@H+](Cc2ccnc(N)c2)Cc2ccccc2O1 ZINC000288788229 381021006 /nfs/dbraw/zinc/02/10/06/381021006.db2.gz JVKHVDQFBCURBZ-UHFFFAOYSA-N 1 1 283.375 2.837 50 0 CFAAMO CCCn1cc(C[N@H+](C)[C@@H](C)c2cccnc2)cn1 ZINC000183727527 381310542 /nfs/dbraw/zinc/31/05/42/381310542.db2.gz KTTFMOICEOUPCL-ZDUSSCGKSA-N 1 1 258.369 2.881 50 0 CFAAMO CCCn1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)cn1 ZINC000183727527 381310547 /nfs/dbraw/zinc/31/05/47/381310547.db2.gz KTTFMOICEOUPCL-ZDUSSCGKSA-N 1 1 258.369 2.881 50 0 CFAAMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(C1)CCCCCC2 ZINC000370197465 381404116 /nfs/dbraw/zinc/40/41/16/381404116.db2.gz MGVFVYFKLOHEIJ-CYBMUJFWSA-N 1 1 252.402 2.509 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2F)C1 ZINC000189133979 382551380 /nfs/dbraw/zinc/55/13/80/382551380.db2.gz RZGDENCVMOKFQR-GFCCVEGCSA-N 1 1 298.789 2.779 50 0 CFAAMO Cc1nc(C[NH2+][C@H]2CCc3ccccc3OC2)oc1C ZINC000367220518 382561871 /nfs/dbraw/zinc/56/18/71/382561871.db2.gz VOSVMHGOLAOWRC-AWEZNQCLSA-N 1 1 272.348 2.775 50 0 CFAAMO Cc1c(NC(=O)C[N@H+](C)C(C)C)cnn1C1CCCC1 ZINC000192997801 382714457 /nfs/dbraw/zinc/71/44/57/382714457.db2.gz DAPQIPQERTXNGF-UHFFFAOYSA-N 1 1 278.400 2.585 50 0 CFAAMO c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195372704 382767122 /nfs/dbraw/zinc/76/71/22/382767122.db2.gz HESFJZADPKHOMY-GFCCVEGCSA-N 1 1 262.382 2.567 50 0 CFAAMO c1cnn(CC[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195372704 382767124 /nfs/dbraw/zinc/76/71/24/382767124.db2.gz HESFJZADPKHOMY-GFCCVEGCSA-N 1 1 262.382 2.567 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000195549522 382769822 /nfs/dbraw/zinc/76/98/22/382769822.db2.gz URWBSVFZEIGXOS-ZIAGYGMSSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000195549522 382769823 /nfs/dbraw/zinc/76/98/23/382769823.db2.gz URWBSVFZEIGXOS-ZIAGYGMSSA-N 1 1 287.407 2.822 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000195549522 382769824 /nfs/dbraw/zinc/76/98/24/382769824.db2.gz URWBSVFZEIGXOS-ZIAGYGMSSA-N 1 1 287.407 2.822 50 0 CFAAMO Fc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc(F)c1F ZINC000195573472 382769939 /nfs/dbraw/zinc/76/99/39/382769939.db2.gz WEQFBLYMRHQARQ-GFCCVEGCSA-N 1 1 295.308 2.965 50 0 CFAAMO Fc1cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc(F)c1F ZINC000195573472 382769942 /nfs/dbraw/zinc/76/99/42/382769942.db2.gz WEQFBLYMRHQARQ-GFCCVEGCSA-N 1 1 295.308 2.965 50 0 CFAAMO CCCc1ccc(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)o1 ZINC000215053812 382777359 /nfs/dbraw/zinc/77/73/59/382777359.db2.gz UKZSHHSAYUDAIU-INIZCTEOSA-N 1 1 292.379 2.649 50 0 CFAAMO CCCc1ccc(C[N@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)o1 ZINC000215053812 382777360 /nfs/dbraw/zinc/77/73/60/382777360.db2.gz UKZSHHSAYUDAIU-INIZCTEOSA-N 1 1 292.379 2.649 50 0 CFAAMO COC[C@@H]1CCC[N@@H+]1Cc1csc(C(C)=O)c1 ZINC000214996204 382777376 /nfs/dbraw/zinc/77/73/76/382777376.db2.gz PULUWLXDQXUTOF-LBPRGKRZSA-N 1 1 253.367 2.562 50 0 CFAAMO COC[C@@H]1CCC[N@H+]1Cc1csc(C(C)=O)c1 ZINC000214996204 382777377 /nfs/dbraw/zinc/77/73/77/382777377.db2.gz PULUWLXDQXUTOF-LBPRGKRZSA-N 1 1 253.367 2.562 50 0 CFAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1cccc2nonc21 ZINC000215224001 382777986 /nfs/dbraw/zinc/77/79/86/382777986.db2.gz SMWNDMDSQMAZOT-CYBMUJFWSA-N 1 1 296.374 2.989 50 0 CFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(Cl)o1 ZINC000215467976 382779296 /nfs/dbraw/zinc/77/92/96/382779296.db2.gz UFIPAPSCCOXKNQ-JTQLQIEISA-N 1 1 265.744 2.786 50 0 CFAAMO C[N@@H+](Cc1cccc2nonc21)C1Cc2ccccc2C1 ZINC000215792471 382780227 /nfs/dbraw/zinc/78/02/27/382780227.db2.gz NXIWWRJBRFXPFI-UHFFFAOYSA-N 1 1 279.343 2.822 50 0 CFAAMO CCCc1cc(C[N@H+](C)Cc2cccc3nonc32)[nH]n1 ZINC000215846777 382780659 /nfs/dbraw/zinc/78/06/59/382780659.db2.gz BYHWPHFDAKADHC-UHFFFAOYSA-N 1 1 285.351 2.530 50 0 CFAAMO CCCc1cc(C[N@@H+](C)Cc2cccc3nonc32)[nH]n1 ZINC000215846777 382780661 /nfs/dbraw/zinc/78/06/61/382780661.db2.gz BYHWPHFDAKADHC-UHFFFAOYSA-N 1 1 285.351 2.530 50 0 CFAAMO CSc1cccc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000215955825 382781308 /nfs/dbraw/zinc/78/13/08/382781308.db2.gz KFTURFRPZXOCPY-UHFFFAOYSA-N 1 1 261.394 2.774 50 0 CFAAMO Cn1ccnc1CCC[N@H+](C)CC(C)(C)N1CCCCC1 ZINC000216527542 382784060 /nfs/dbraw/zinc/78/40/60/382784060.db2.gz WNUPUZJUWHRUPB-UHFFFAOYSA-N 1 1 292.471 2.549 50 0 CFAAMO Cn1ccnc1CCC[N@@H+](C)CC(C)(C)N1CCCCC1 ZINC000216527542 382784062 /nfs/dbraw/zinc/78/40/62/382784062.db2.gz WNUPUZJUWHRUPB-UHFFFAOYSA-N 1 1 292.471 2.549 50 0 CFAAMO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cscn2)C1 ZINC000194862947 382756683 /nfs/dbraw/zinc/75/66/83/382756683.db2.gz XSHCJCBWBJKNST-CQSZACIVSA-N 1 1 282.409 2.554 50 0 CFAAMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cscn2)C1 ZINC000194862947 382756684 /nfs/dbraw/zinc/75/66/84/382756684.db2.gz XSHCJCBWBJKNST-CQSZACIVSA-N 1 1 282.409 2.554 50 0 CFAAMO CC[N@H+]1CC[C@H](Nc2cccc3c2OCCO3)[C@@H](C)C1 ZINC000221871335 382799847 /nfs/dbraw/zinc/79/98/47/382799847.db2.gz AIJCHPNYHMWZHA-STQMWFEESA-N 1 1 276.380 2.600 50 0 CFAAMO CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229203095 382850567 /nfs/dbraw/zinc/85/05/67/382850567.db2.gz LFDIQXNWYYONHD-CVEARBPZSA-N 1 1 277.408 2.652 50 0 CFAAMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000225395544 382815612 /nfs/dbraw/zinc/81/56/12/382815612.db2.gz WPJMRVUKIFGGLF-ZJUUUORDSA-N 1 1 288.185 2.635 50 0 CFAAMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000225395544 382815614 /nfs/dbraw/zinc/81/56/14/382815614.db2.gz WPJMRVUKIFGGLF-ZJUUUORDSA-N 1 1 288.185 2.635 50 0 CFAAMO CSc1ccccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000225494946 382817302 /nfs/dbraw/zinc/81/73/02/382817302.db2.gz CCWZZFNCHWTIDA-JSGCOSHPSA-N 1 1 290.432 2.575 50 0 CFAAMO COC(=O)CCCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000225519508 382817649 /nfs/dbraw/zinc/81/76/49/382817649.db2.gz HOSZLPBVIHSVMG-HNNXBMFYSA-N 1 1 261.365 2.949 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000229405749 382851485 /nfs/dbraw/zinc/85/14/85/382851485.db2.gz MTLOBGZEUWKBSA-WMLDXEAASA-N 1 1 295.386 2.647 50 0 CFAAMO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720642 382853232 /nfs/dbraw/zinc/85/32/32/382853232.db2.gz OFZKNLACSBIPCF-GDBMZVCRSA-N 1 1 274.408 2.637 50 0 CFAAMO C[C@@H](c1ccccc1)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000230125457 382856012 /nfs/dbraw/zinc/85/60/12/382856012.db2.gz WGWDMBICIBRNAI-YOEHRIQHSA-N 1 1 285.391 2.729 50 0 CFAAMO C[N@@H+](CCCOc1ccc(F)cc1)CC1(C)COC1 ZINC000441177041 382898245 /nfs/dbraw/zinc/89/82/45/382898245.db2.gz IFTIFPDXXBGDML-UHFFFAOYSA-N 1 1 267.344 2.563 50 0 CFAAMO CN(Cc1cnc2ccccc2c1)C[C@H]1CCC[N@H+]1C ZINC000243893460 382988486 /nfs/dbraw/zinc/98/84/86/382988486.db2.gz ARLXGUGZQDZAMI-MRXNPFEDSA-N 1 1 269.392 2.761 50 0 CFAAMO CC[N@@H+](Cc1csc(C)n1)C[C@@H]1CCCCO1 ZINC000244633255 382989668 /nfs/dbraw/zinc/98/96/68/382989668.db2.gz FZUSWGUTXSEFIY-ZDUSSCGKSA-N 1 1 254.399 2.843 50 0 CFAAMO CC[N@H+](Cc1csc(C)n1)C[C@@H]1CCCCO1 ZINC000244633255 382989671 /nfs/dbraw/zinc/98/96/71/382989671.db2.gz FZUSWGUTXSEFIY-ZDUSSCGKSA-N 1 1 254.399 2.843 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc2nsnc2c1 ZINC000244574738 382990031 /nfs/dbraw/zinc/99/00/31/382990031.db2.gz CQNAXTQFYDQEJC-CYBMUJFWSA-N 1 1 290.436 2.607 50 0 CFAAMO Cc1cc2ccccc2n1CCN(C)C[C@H]1CCC[N@H+]1C ZINC000244840341 382992272 /nfs/dbraw/zinc/99/22/72/382992272.db2.gz ULGZHJCFCJJDAO-QGZVFWFLSA-N 1 1 285.435 2.976 50 0 CFAAMO Cc1cc2ccccc2n1CC[N@@H+](C)C[C@H]1CCCN1C ZINC000244840341 382992274 /nfs/dbraw/zinc/99/22/74/382992274.db2.gz ULGZHJCFCJJDAO-QGZVFWFLSA-N 1 1 285.435 2.976 50 0 CFAAMO Cc1cc2ccccc2n1CC[N@H+](C)C[C@H]1CCCN1C ZINC000244840341 382992275 /nfs/dbraw/zinc/99/22/75/382992275.db2.gz ULGZHJCFCJJDAO-QGZVFWFLSA-N 1 1 285.435 2.976 50 0 CFAAMO C[N@H+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CCCOC1 ZINC000244900301 382995674 /nfs/dbraw/zinc/99/56/74/382995674.db2.gz ZZRZVUOMBYYBHG-ZDUSSCGKSA-N 1 1 287.363 2.595 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1C ZINC000246152075 383064584 /nfs/dbraw/zinc/06/45/84/383064584.db2.gz SZIOYUUQRMSDON-XQQFMLRXSA-N 1 1 295.379 2.528 50 0 CFAAMO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccns1 ZINC000583652037 383091373 /nfs/dbraw/zinc/09/13/73/383091373.db2.gz YTGKNZVOFXGWJY-UHFFFAOYSA-N 1 1 293.367 2.743 50 0 CFAAMO C[N@@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccns1 ZINC000583652037 383091376 /nfs/dbraw/zinc/09/13/76/383091376.db2.gz YTGKNZVOFXGWJY-UHFFFAOYSA-N 1 1 293.367 2.743 50 0 CFAAMO Fc1ccc(OCCCN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000247503422 383178987 /nfs/dbraw/zinc/17/89/87/383178987.db2.gz GFLQFFCNZFWXBM-INIZCTEOSA-N 1 1 292.398 2.765 50 0 CFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)C1 ZINC000247965769 383203800 /nfs/dbraw/zinc/20/38/00/383203800.db2.gz QKMYYTBTTCQNGD-KFWWJZLASA-N 1 1 299.374 2.752 50 0 CFAAMO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000248152643 383216110 /nfs/dbraw/zinc/21/61/10/383216110.db2.gz UTUTYAYTMYOUSK-ZWKOTPCHSA-N 1 1 299.418 2.907 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000248163008 383216996 /nfs/dbraw/zinc/21/69/96/383216996.db2.gz YMQDHCHTEKPRHO-HUUCEWRRSA-N 1 1 276.355 2.525 50 0 CFAAMO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)n(C)n1 ZINC000426412466 383399163 /nfs/dbraw/zinc/39/91/63/383399163.db2.gz NCVHLGOFOWJVFQ-HNNXBMFYSA-N 1 1 284.407 2.749 50 0 CFAAMO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@H]1CO ZINC000252469969 383410505 /nfs/dbraw/zinc/41/05/05/383410505.db2.gz BRNHCAQZRAUXMI-JSGCOSHPSA-N 1 1 251.345 2.604 50 0 CFAAMO CCc1nccn1CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000252481630 383411475 /nfs/dbraw/zinc/41/14/75/383411475.db2.gz CPRKLPHNPRKMMW-UHFFFAOYSA-N 1 1 257.381 2.886 50 0 CFAAMO CCc1ccc(CN2CC([N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000252500714 383413900 /nfs/dbraw/zinc/41/39/00/383413900.db2.gz TUNRPBGOPLDQCJ-AWEZNQCLSA-N 1 1 273.424 2.703 50 0 CFAAMO CCn1nccc1CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000253420500 383457470 /nfs/dbraw/zinc/45/74/70/383457470.db2.gz JXHHREJBOYHCBO-INIZCTEOSA-N 1 1 284.407 2.632 50 0 CFAAMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccsc1 ZINC000253420154 383457771 /nfs/dbraw/zinc/45/77/71/383457771.db2.gz UPQGUYZEGQAZBD-LLVKDONJSA-N 1 1 254.399 2.598 50 0 CFAAMO CCn1nccc1CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000253420881 383457803 /nfs/dbraw/zinc/45/78/03/383457803.db2.gz NGOZKEABIFDXFE-CRAIPNDOSA-N 1 1 299.418 2.908 50 0 CFAAMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc2nonc21 ZINC000253426307 383458632 /nfs/dbraw/zinc/45/86/32/383458632.db2.gz ZDJDMUHRQPADKD-AWEZNQCLSA-N 1 1 297.362 2.900 50 0 CFAAMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nccc(N)n2)c1 ZINC000253427257 383459071 /nfs/dbraw/zinc/45/90/71/383459071.db2.gz XZWFACYWXOGZGQ-SWLSCSKDSA-N 1 1 298.390 2.651 50 0 CFAAMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nccc(N)n2)c1 ZINC000253427257 383459072 /nfs/dbraw/zinc/45/90/72/383459072.db2.gz XZWFACYWXOGZGQ-SWLSCSKDSA-N 1 1 298.390 2.651 50 0 CFAAMO Cc1c[nH]c(C[N@@H+](C)CCC[C@@H]2CCCO2)c(C)c1=O ZINC000253536767 383462350 /nfs/dbraw/zinc/46/23/50/383462350.db2.gz NTBFNUYIYOFFFK-CQSZACIVSA-N 1 1 278.396 2.795 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)NC(C)C)C2)n1C(C)C ZINC000257182277 383490641 /nfs/dbraw/zinc/49/06/41/383490641.db2.gz OVNNXTWQAFIWDL-CQSZACIVSA-N 1 1 292.427 2.755 50 0 CFAAMO C[C@H]1CCN(c2ncccn2)CC[N@H+]1Cc1ccccc1 ZINC000266237114 384123689 /nfs/dbraw/zinc/12/36/89/384123689.db2.gz VSQXKHDTJXVTSS-HNNXBMFYSA-N 1 1 282.391 2.577 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280348904 384983913 /nfs/dbraw/zinc/98/39/13/384983913.db2.gz IEGMFNHXAZMZLV-IJEWVQPXSA-N 1 1 261.365 2.627 50 0 CFAAMO CCn1ncnc1C[NH2+]Cc1ccc2sccc2c1 ZINC000639190398 385304952 /nfs/dbraw/zinc/30/49/52/385304952.db2.gz ZRCIYVDYMCUVPS-UHFFFAOYSA-N 1 1 272.377 2.803 50 0 CFAAMO C[N@@H+](CCc1cccs1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271901297 385396849 /nfs/dbraw/zinc/39/68/49/385396849.db2.gz GVFKIVFMTIHTFR-HZPDHXFCSA-N 1 1 273.401 2.881 50 0 CFAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@H]2C1 ZINC000272486038 385550142 /nfs/dbraw/zinc/55/01/42/385550142.db2.gz VNHJRPIXLNHDGH-RISCZKNCSA-N 1 1 293.798 2.898 50 0 CFAAMO OC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000040412048 285246234 /nfs/dbraw/zinc/24/62/34/285246234.db2.gz YUNKSTCBVFTLDT-UHFFFAOYSA-N 1 1 262.740 2.849 50 0 CFAAMO OC[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000096483861 285289944 /nfs/dbraw/zinc/28/99/44/285289944.db2.gz JMYJZCDPNOLWES-LRDDRELGSA-N 1 1 263.356 2.907 50 0 CFAAMO COCC[C@H]1C[N@H+](Cc2oc3ccccc3c2C)CCO1 ZINC000824384171 781991665 /nfs/dbraw/zinc/99/16/65/781991665.db2.gz WPAFZTNIGIVACE-AWEZNQCLSA-N 1 1 289.375 2.979 50 0 CFAAMO COCC[C@H]1C[N@@H+](Cc2oc3ccccc3c2C)CCO1 ZINC000824384171 781991672 /nfs/dbraw/zinc/99/16/72/781991672.db2.gz WPAFZTNIGIVACE-AWEZNQCLSA-N 1 1 289.375 2.979 50 0 CFAAMO COc1ccc(-c2noc(C[N@H+]3CC[C@H](C)C3)n2)cc1 ZINC000263651960 131302015 /nfs/dbraw/zinc/30/20/15/131302015.db2.gz BSBBESYMQJIKKR-NSHDSACASA-N 1 1 273.336 2.587 50 0 CFAAMO CC[C@@]1(C)C[C@@]2(CCC[N@@H+](CCC(=O)OC)C2)CCO1 ZINC000004027604 393457527 /nfs/dbraw/zinc/45/75/27/393457527.db2.gz KKAGQDJCBNLWGS-JKSUJKDBSA-N 1 1 283.412 2.611 50 0 CFAAMO CCc1nc2c3ccccc3oc2c(NN2CCOCC2)[nH+]1 ZINC000005217407 393461334 /nfs/dbraw/zinc/46/13/34/393461334.db2.gz VIDNNUKXCRJQNK-UHFFFAOYSA-N 1 1 298.346 2.598 50 0 CFAAMO CCCc1noc(C[N@H+](CC2CCC2)C[C@@H]2CCCO2)n1 ZINC000012752423 393475641 /nfs/dbraw/zinc/47/56/41/393475641.db2.gz AINUODGHLQMHCH-AWEZNQCLSA-N 1 1 293.411 2.803 50 0 CFAAMO CCCc1noc(C[N@@H+](CC2CCC2)C[C@@H]2CCCO2)n1 ZINC000012752423 393475647 /nfs/dbraw/zinc/47/56/47/393475647.db2.gz AINUODGHLQMHCH-AWEZNQCLSA-N 1 1 293.411 2.803 50 0 CFAAMO CC(C)=CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012718395 393476031 /nfs/dbraw/zinc/47/60/31/393476031.db2.gz DHPGRTMIABHNOM-QGZVFWFLSA-N 1 1 276.424 2.677 50 0 CFAAMO Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013404013 393477938 /nfs/dbraw/zinc/47/79/38/393477938.db2.gz BJXUGKXVPDLLME-UKRRQHHQSA-N 1 1 286.375 2.501 50 0 CFAAMO CC[C@H]1CCC[N@@H+]1Cn1cnc2c3ccccc3[nH]c2c1=O ZINC000020438304 393485932 /nfs/dbraw/zinc/48/59/32/393485932.db2.gz IZWZFHSUSMQVQX-LBPRGKRZSA-N 1 1 296.374 2.710 50 0 CFAAMO CC[C@H]1CCC[N@H+]1Cn1cnc2c3ccccc3[nH]c2c1=O ZINC000020438304 393485939 /nfs/dbraw/zinc/48/59/39/393485939.db2.gz IZWZFHSUSMQVQX-LBPRGKRZSA-N 1 1 296.374 2.710 50 0 CFAAMO CCC[N@H+]1CC[C@@H](CNc2cnc3ccccc3n2)C1 ZINC000048894272 393607772 /nfs/dbraw/zinc/60/77/72/393607772.db2.gz QZKXLPDOWHMXDF-ZDUSSCGKSA-N 1 1 270.380 2.774 50 0 CFAAMO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058208503 393623238 /nfs/dbraw/zinc/62/32/38/393623238.db2.gz MABBZRZGQRRTLF-SNVBAGLBSA-N 1 1 287.367 2.611 50 0 CFAAMO CCCc1cc(NCc2cncn2CC)nc(C)[nH+]1 ZINC000065381067 393630678 /nfs/dbraw/zinc/63/06/78/393630678.db2.gz DIOGVBQMUGHPIE-UHFFFAOYSA-N 1 1 259.357 2.566 50 0 CFAAMO Cc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000066054546 393632977 /nfs/dbraw/zinc/63/29/77/393632977.db2.gz CHXGDOMEQWLRFR-AWEZNQCLSA-N 1 1 276.380 2.876 50 0 CFAAMO CC[N@H+](Cc1cccnc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000096409694 393822813 /nfs/dbraw/zinc/82/28/13/393822813.db2.gz AEOFSPQMKLFJHT-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO CC[N@@H+](Cc1cccnc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000096409694 393822819 /nfs/dbraw/zinc/82/28/19/393822819.db2.gz AEOFSPQMKLFJHT-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO CCS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000096424518 393829705 /nfs/dbraw/zinc/82/97/05/393829705.db2.gz NPZBPOKYUNTKGA-MRXNPFEDSA-N 1 1 295.448 2.875 50 0 CFAAMO CCS(=O)(=O)CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000096424536 393829749 /nfs/dbraw/zinc/82/97/49/393829749.db2.gz CDUTZIQJBNIUPB-UHFFFAOYSA-N 1 1 299.436 2.849 50 0 CFAAMO CCS(=O)(=O)CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000096424536 393829752 /nfs/dbraw/zinc/82/97/52/393829752.db2.gz CDUTZIQJBNIUPB-UHFFFAOYSA-N 1 1 299.436 2.849 50 0 CFAAMO OCCC[N@@H+](Cc1ccccn1)[C@H]1CCc2ccccc21 ZINC000096424230 393829942 /nfs/dbraw/zinc/82/99/42/393829942.db2.gz MWZXOBKUWCRAHT-SFHVURJKSA-N 1 1 282.387 2.954 50 0 CFAAMO CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000110641727 393881516 /nfs/dbraw/zinc/88/15/16/393881516.db2.gz QRJJLLHDFYKSKX-UONOGXRCSA-N 1 1 284.469 2.605 50 0 CFAAMO CC(C)[N@H+](Cc1cn(C)nn1)[C@@H](C)c1ccccc1 ZINC000428864322 393919092 /nfs/dbraw/zinc/91/90/92/393919092.db2.gz SWOAANNWFIGPDL-ZDUSSCGKSA-N 1 1 258.369 2.787 50 0 CFAAMO CC(C)[N@@H+](Cc1cn(C)nn1)[C@@H](C)c1ccccc1 ZINC000428864322 393919096 /nfs/dbraw/zinc/91/90/96/393919096.db2.gz SWOAANNWFIGPDL-ZDUSSCGKSA-N 1 1 258.369 2.787 50 0 CFAAMO Cc1noc([C@H]2CCCN(c3cc[nH+]cc3Cl)C2)n1 ZINC000091455074 135070360 /nfs/dbraw/zinc/07/03/60/135070360.db2.gz WYFXZGKBXCXOQO-JTQLQIEISA-N 1 1 278.743 2.810 50 0 CFAAMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cccnc1C(F)(F)F ZINC000530108511 394450830 /nfs/dbraw/zinc/45/08/30/394450830.db2.gz RJXUFNXBMABZJT-VIFPVBQESA-N 1 1 285.269 2.971 50 0 CFAAMO COc1ncc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000824851793 781998474 /nfs/dbraw/zinc/99/84/74/781998474.db2.gz HSBSPLIZNWVGSR-AWEZNQCLSA-N 1 1 287.338 2.614 50 0 CFAAMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000047298356 397584655 /nfs/dbraw/zinc/58/46/55/397584655.db2.gz XFASWBDYVSDHCO-OAHLLOKOSA-N 1 1 290.382 2.564 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1CCC1 ZINC000000526112 397535428 /nfs/dbraw/zinc/53/54/28/397535428.db2.gz AMXKHKZYEPHIKK-RDJZCZTQSA-N 1 1 284.403 2.929 50 0 CFAAMO C(=C\c1ccccc1)\C[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000101138746 397593106 /nfs/dbraw/zinc/59/31/06/397593106.db2.gz WHMMCVBNEORLJZ-SKHCZCESSA-N 1 1 282.391 2.846 50 0 CFAAMO CC[C@H]1CCC[C@@H](C[N@@H+](CCOC)C(C)(C)CO)C1 ZINC000102141973 397593939 /nfs/dbraw/zinc/59/39/39/397593939.db2.gz GKYYFEWCDDACEK-LSDHHAIUSA-N 1 1 271.445 2.922 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)n1 ZINC000215125326 397619096 /nfs/dbraw/zinc/61/90/96/397619096.db2.gz LLFIENBZNLIOEQ-CQSZACIVSA-N 1 1 290.798 2.995 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000215125326 397619098 /nfs/dbraw/zinc/61/90/98/397619098.db2.gz LLFIENBZNLIOEQ-CQSZACIVSA-N 1 1 290.798 2.995 50 0 CFAAMO COc1ccccc1/C=C/C[N@@H+](C)CCc1cnn(C)c1 ZINC000215264514 397619364 /nfs/dbraw/zinc/61/93/64/397619364.db2.gz BNNXVZZRLZIJHW-SOFGYWHQSA-N 1 1 285.391 2.616 50 0 CFAAMO Cc1cc(C(=O)N2CCC[N@H+](C3CCC3)CC2)c(C)o1 ZINC000825145487 782003467 /nfs/dbraw/zinc/00/34/67/782003467.db2.gz RDUQSXOWMGJIFZ-UHFFFAOYSA-N 1 1 276.380 2.597 50 0 CFAAMO Cc1nnc(NC[C@@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000825296667 782008408 /nfs/dbraw/zinc/00/84/08/782008408.db2.gz GKIQXLZUAWFHPI-NSHDSACASA-N 1 1 266.414 2.523 50 0 CFAAMO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000373813844 157034853 /nfs/dbraw/zinc/03/48/53/157034853.db2.gz YAHPFIUXNNITGI-CQSZACIVSA-N 1 1 293.411 2.709 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000004744656 170010434 /nfs/dbraw/zinc/01/04/34/170010434.db2.gz YXPRWBPEDVSELI-LBPRGKRZSA-N 1 1 264.344 2.886 50 0 CFAAMO OC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000004948206 170044434 /nfs/dbraw/zinc/04/44/34/170044434.db2.gz CTBXWKGZTPQJPA-LBPRGKRZSA-N 1 1 273.298 2.910 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000005023117 170057138 /nfs/dbraw/zinc/05/71/38/170057138.db2.gz CFMUYKXNSHGRPL-OKILXGFUSA-N 1 1 260.381 2.993 50 0 CFAAMO C[N@@H+](Cc1ccccc1)Cn1c2ccccc2oc1=O ZINC000005248153 170078941 /nfs/dbraw/zinc/07/89/41/170078941.db2.gz RIWXUBVSEUOPJO-UHFFFAOYSA-N 1 1 268.316 2.684 50 0 CFAAMO C[N@H+](Cc1ccccc1)Cn1c2ccccc2oc1=O ZINC000005248153 170078943 /nfs/dbraw/zinc/07/89/43/170078943.db2.gz RIWXUBVSEUOPJO-UHFFFAOYSA-N 1 1 268.316 2.684 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000005444333 170099662 /nfs/dbraw/zinc/09/96/62/170099662.db2.gz BOWMYSFEPWXLKO-UHFFFAOYSA-N 1 1 274.408 2.762 50 0 CFAAMO [NH3+]C1CCN(Cc2ccc3cc(F)ccc3c2)CC1 ZINC000005514379 170106833 /nfs/dbraw/zinc/10/68/33/170106833.db2.gz VORWTFWMZCRIGW-UHFFFAOYSA-N 1 1 258.340 2.902 50 0 CFAAMO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCCO)c12 ZINC000006662092 170223530 /nfs/dbraw/zinc/22/35/30/170223530.db2.gz QTKDTABBCBSNCC-UHFFFAOYSA-N 1 1 296.374 2.501 50 0 CFAAMO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000007377641 170280904 /nfs/dbraw/zinc/28/09/04/170280904.db2.gz XYMWDKOPTJGTNI-GFCCVEGCSA-N 1 1 262.353 2.508 50 0 CFAAMO C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCC(C)CC1 ZINC000007389271 170282572 /nfs/dbraw/zinc/28/25/72/170282572.db2.gz KRIZMZCFCMPSBY-GFCCVEGCSA-N 1 1 264.344 2.885 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)no1 ZINC000009450687 170376712 /nfs/dbraw/zinc/37/67/12/170376712.db2.gz INHCINWCDZXMCZ-NSHDSACASA-N 1 1 291.326 2.754 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)no1 ZINC000009450687 170376713 /nfs/dbraw/zinc/37/67/13/170376713.db2.gz INHCINWCDZXMCZ-NSHDSACASA-N 1 1 291.326 2.754 50 0 CFAAMO COc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1O ZINC000020123231 171003878 /nfs/dbraw/zinc/00/38/78/171003878.db2.gz DFHWEUURVRRMCZ-NSHDSACASA-N 1 1 258.321 2.647 50 0 CFAAMO COc1ccc(C[NH2+][C@@H](C)c2ccccn2)c(OC)c1 ZINC000020123199 171004106 /nfs/dbraw/zinc/00/41/06/171004106.db2.gz WMJGKOGCFPSZCX-LBPRGKRZSA-N 1 1 272.348 2.950 50 0 CFAAMO CC(C)/C=C/CN1CC[N@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000020205613 171070492 /nfs/dbraw/zinc/07/04/92/171070492.db2.gz IWYUHDKQUSGBIA-DKFQHHCZSA-N 1 1 294.483 2.900 50 0 CFAAMO CN(Cc1ncc[nH]1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020450750 171207735 /nfs/dbraw/zinc/20/77/35/171207735.db2.gz FCWDODNSRRTYAU-KRWDZBQOSA-N 1 1 298.434 2.549 50 0 CFAAMO CC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000020608785 171267458 /nfs/dbraw/zinc/26/74/58/171267458.db2.gz RXBYVNUYULQMRZ-UHFFFAOYSA-N 1 1 252.402 2.511 50 0 CFAAMO CCCOc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000020652620 171269087 /nfs/dbraw/zinc/26/90/87/171269087.db2.gz ASEHBSPRNYEKRR-UHFFFAOYSA-N 1 1 279.380 2.577 50 0 CFAAMO CC[C@@H](C)Oc1ccccc1OCCC[NH+]1CCOCC1 ZINC000020652512 171269226 /nfs/dbraw/zinc/26/92/26/171269226.db2.gz XHRGCGSQTHWDSK-OAHLLOKOSA-N 1 1 293.407 2.965 50 0 CFAAMO O[C@H](c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020791742 171272777 /nfs/dbraw/zinc/27/27/77/171272777.db2.gz MLWIPELGYZQEMS-RBUKOAKNSA-N 1 1 297.398 2.836 50 0 CFAAMO Cc1[nH]c2ccc(F)cc2c1CC[N@H+]1CCc2n[nH]cc2C1 ZINC000020878027 171277866 /nfs/dbraw/zinc/27/78/66/171277866.db2.gz METHNZKXPBCXSW-UHFFFAOYSA-N 1 1 298.365 2.939 50 0 CFAAMO Cc1[nH+]ccn1[C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000020908946 171279169 /nfs/dbraw/zinc/27/91/69/171279169.db2.gz IUVSZAIOQLOLSX-VIFPVBQESA-N 1 1 272.283 2.990 50 0 CFAAMO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000022113697 171352811 /nfs/dbraw/zinc/35/28/11/171352811.db2.gz CFWSKJOGTKJXPT-AWEZNQCLSA-N 1 1 292.379 2.577 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCN(C)C)c2ccccc12 ZINC000022455393 171388336 /nfs/dbraw/zinc/38/83/36/171388336.db2.gz HBTAUZADCQANJW-UHFFFAOYSA-N 1 1 272.392 2.842 50 0 CFAAMO COc1ccc(CN(C)CC[NH+](C)C)c2ccccc12 ZINC000022455393 171388338 /nfs/dbraw/zinc/38/83/38/171388338.db2.gz HBTAUZADCQANJW-UHFFFAOYSA-N 1 1 272.392 2.842 50 0 CFAAMO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000022454641 171388404 /nfs/dbraw/zinc/38/84/04/171388404.db2.gz PXCPPHALDRCARP-WEVVVXLNSA-N 1 1 293.414 2.913 50 0 CFAAMO CC[C@H](C)[C@@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000035532467 172243512 /nfs/dbraw/zinc/24/35/12/172243512.db2.gz LKHLAPPWDALYPP-JOYOIKCWSA-N 1 1 261.325 2.791 50 0 CFAAMO CC(C)(C)[N@H+]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000664174988 413618171 /nfs/dbraw/zinc/61/81/71/413618171.db2.gz NFOUVOOUSMTZRF-LBPRGKRZSA-N 1 1 270.380 2.915 50 0 CFAAMO N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038540480 174146061 /nfs/dbraw/zinc/14/60/61/174146061.db2.gz WXBOUFZFJFRVCW-SJORKVTESA-N 1 1 252.361 2.613 50 0 CFAAMO N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038540480 174146062 /nfs/dbraw/zinc/14/60/62/174146062.db2.gz WXBOUFZFJFRVCW-SJORKVTESA-N 1 1 252.361 2.613 50 0 CFAAMO COC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000039023952 174162053 /nfs/dbraw/zinc/16/20/53/174162053.db2.gz RUIJVHAHZJXWEU-QGZVFWFLSA-N 1 1 283.371 2.903 50 0 CFAAMO COC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000039023952 174162057 /nfs/dbraw/zinc/16/20/57/174162057.db2.gz RUIJVHAHZJXWEU-QGZVFWFLSA-N 1 1 283.371 2.903 50 0 CFAAMO Fc1cccc(OCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000040153606 174194977 /nfs/dbraw/zinc/19/49/77/174194977.db2.gz BLOYDQPNXRMDOQ-HOTGVXAUSA-N 1 1 279.355 2.848 50 0 CFAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000040460340 174269889 /nfs/dbraw/zinc/26/98/89/174269889.db2.gz OXIGSUOESNIEFY-STQMWFEESA-N 1 1 278.400 2.523 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000040624778 174356615 /nfs/dbraw/zinc/35/66/15/174356615.db2.gz KGHVFZLXTHPKDT-CYBMUJFWSA-N 1 1 285.391 2.628 50 0 CFAAMO CC[N@@H+](CCO)CCNc1cccc2ccccc21 ZINC000044125689 175144353 /nfs/dbraw/zinc/14/43/53/175144353.db2.gz RIPAXUYNSROKDU-UHFFFAOYSA-N 1 1 258.365 2.566 50 0 CFAAMO CC(C)Oc1ccccc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000044533055 175195876 /nfs/dbraw/zinc/19/58/76/175195876.db2.gz HWMCYKFILGUHJG-OAHLLOKOSA-N 1 1 276.424 2.905 50 0 CFAAMO CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533055 175195881 /nfs/dbraw/zinc/19/58/81/175195881.db2.gz HWMCYKFILGUHJG-OAHLLOKOSA-N 1 1 276.424 2.905 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000044533718 175197873 /nfs/dbraw/zinc/19/78/73/175197873.db2.gz SXPCKPACECQRKL-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000044533718 175197874 /nfs/dbraw/zinc/19/78/74/175197874.db2.gz SXPCKPACECQRKL-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1OC ZINC000044533718 175197876 /nfs/dbraw/zinc/19/78/76/175197876.db2.gz SXPCKPACECQRKL-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000045943472 175387542 /nfs/dbraw/zinc/38/75/42/175387542.db2.gz ACDGHJOQBDWPGP-LBPRGKRZSA-N 1 1 272.352 2.754 50 0 CFAAMO CC[NH+](CC)CCCNCc1cn(C)c2ccccc12 ZINC000045946164 175388133 /nfs/dbraw/zinc/38/81/33/175388133.db2.gz DMZPLEBMAYBESM-UHFFFAOYSA-N 1 1 273.424 3.000 50 0 CFAAMO c1ccc2[nH]c(C[NH2+]Cc3ccc4c(c3)OCCO4)nc2c1 ZINC000057353411 175594719 /nfs/dbraw/zinc/59/47/19/175594719.db2.gz QRAZPIPIRNVNQN-UHFFFAOYSA-N 1 1 295.342 2.624 50 0 CFAAMO CCc1[nH+]ccn1Cc1nc(-c2cccc(OC)c2)no1 ZINC000065224650 175704613 /nfs/dbraw/zinc/70/46/13/175704613.db2.gz LAKZKWFOFKJNOV-UHFFFAOYSA-N 1 1 284.319 2.552 50 0 CFAAMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000071376016 176141353 /nfs/dbraw/zinc/14/13/53/176141353.db2.gz ADQVPTVCHMSGJQ-GJZGRUSLSA-N 1 1 274.408 2.822 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828173 176272519 /nfs/dbraw/zinc/27/25/19/176272519.db2.gz SJDZVXPLNVRGOL-DOTOQJQBSA-N 1 1 285.391 2.976 50 0 CFAAMO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000071828175 176272641 /nfs/dbraw/zinc/27/26/41/176272641.db2.gz SJDZVXPLNVRGOL-RDJZCZTQSA-N 1 1 285.391 2.976 50 0 CFAAMO Cc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)s1 ZINC000071870421 176282965 /nfs/dbraw/zinc/28/29/65/176282965.db2.gz JLAMTFAVYZQOQM-HUUCEWRRSA-N 1 1 292.448 2.684 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000071870858 176283585 /nfs/dbraw/zinc/28/35/85/176283585.db2.gz FOHAFWLAFQWAGV-ZDUSSCGKSA-N 1 1 286.379 2.812 50 0 CFAAMO Cc1nc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)oc1C ZINC000071876720 176285598 /nfs/dbraw/zinc/28/55/98/176285598.db2.gz QLEPONXATDPMBT-AWEZNQCLSA-N 1 1 288.395 2.979 50 0 CFAAMO Cc1nc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)oc1C ZINC000071876720 176285599 /nfs/dbraw/zinc/28/55/99/176285599.db2.gz QLEPONXATDPMBT-AWEZNQCLSA-N 1 1 288.395 2.979 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2CCc2ccccn2)n1 ZINC000071878661 176286988 /nfs/dbraw/zinc/28/69/88/176286988.db2.gz IESRYGRUBDHULQ-QGZVFWFLSA-N 1 1 284.407 2.602 50 0 CFAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000071878779 176287250 /nfs/dbraw/zinc/28/72/50/176287250.db2.gz FYQDWDBNHBLJNW-MRXNPFEDSA-N 1 1 284.407 2.812 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000071880491 176287905 /nfs/dbraw/zinc/28/79/05/176287905.db2.gz GRVCQGMQKIEZQR-SJORKVTESA-N 1 1 290.382 2.801 50 0 CFAAMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCO)C1 ZINC000071905407 176296495 /nfs/dbraw/zinc/29/64/95/176296495.db2.gz OFYHBCULHPANFM-DLBZAZTESA-N 1 1 282.472 2.735 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCO)C1 ZINC000071905407 176296496 /nfs/dbraw/zinc/29/64/96/176296496.db2.gz OFYHBCULHPANFM-DLBZAZTESA-N 1 1 282.472 2.735 50 0 CFAAMO CC[N@H+](Cc1nc(C)c2ccccc2n1)C[C@H]1CCOC1 ZINC000071908294 176297065 /nfs/dbraw/zinc/29/70/65/176297065.db2.gz IRPDRYKQXAAAFW-CQSZACIVSA-N 1 1 285.391 2.797 50 0 CFAAMO CN1CC[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C1=O ZINC000071915208 176298758 /nfs/dbraw/zinc/29/87/58/176298758.db2.gz ILGCZZOFBAGIHY-CYBMUJFWSA-N 1 1 275.739 2.531 50 0 CFAAMO CCNC(=O)C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000072125317 176320542 /nfs/dbraw/zinc/32/05/42/176320542.db2.gz UWLKVLIUPAHXCB-INIZCTEOSA-N 1 1 274.408 2.610 50 0 CFAAMO Cc1nc[nH]c1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000072172451 176332817 /nfs/dbraw/zinc/33/28/17/176332817.db2.gz CKZIQMCARMGWOT-UHFFFAOYSA-N 1 1 289.354 2.901 50 0 CFAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1 ZINC000072259986 176351850 /nfs/dbraw/zinc/35/18/50/176351850.db2.gz NCJWIOBYRQUMBK-UHFFFAOYSA-N 1 1 284.359 2.724 50 0 CFAAMO CCN1CC[NH2+][C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000072352859 176374565 /nfs/dbraw/zinc/37/45/65/176374565.db2.gz YBDHCJHLHZMKIR-GOSISDBHSA-N 1 1 294.398 2.716 50 0 CFAAMO Cc1ncsc1CC[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000072409147 176398524 /nfs/dbraw/zinc/39/85/24/176398524.db2.gz TWDQCLDUTDJFDC-UHFFFAOYSA-N 1 1 290.436 2.587 50 0 CFAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000072412012 176398842 /nfs/dbraw/zinc/39/88/42/176398842.db2.gz SSRVLMIVISKIII-QGZVFWFLSA-N 1 1 291.435 2.737 50 0 CFAAMO Cc1ccc(NCc2cn(C)nc2-c2ccncc2)[nH+]c1 ZINC000078698918 177372908 /nfs/dbraw/zinc/37/29/08/177372908.db2.gz NTACSZXZPYKXIY-UHFFFAOYSA-N 1 1 279.347 2.798 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000105707694 287345553 /nfs/dbraw/zinc/34/55/53/287345553.db2.gz SFGVXXIRTPCRIM-RDBSUJKOSA-N 1 1 252.402 2.508 50 0 CFAAMO Cn1cccc1C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000191682925 227125236 /nfs/dbraw/zinc/12/52/36/227125236.db2.gz LEFJGBYJEBKQEO-CYBMUJFWSA-N 1 1 293.411 2.514 50 0 CFAAMO Cn1cccc1C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000191682925 227125243 /nfs/dbraw/zinc/12/52/43/227125243.db2.gz LEFJGBYJEBKQEO-CYBMUJFWSA-N 1 1 293.411 2.514 50 0 CFAAMO CC[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000193786781 270239948 /nfs/dbraw/zinc/23/99/48/270239948.db2.gz LBYNKYDFFOCXNA-UHFFFAOYSA-N 1 1 272.142 2.630 50 0 CFAAMO CC[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000193786781 270239949 /nfs/dbraw/zinc/23/99/49/270239949.db2.gz LBYNKYDFFOCXNA-UHFFFAOYSA-N 1 1 272.142 2.630 50 0 CFAAMO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000525195303 270474389 /nfs/dbraw/zinc/47/43/89/270474389.db2.gz DRTRVQAQJYKPNM-LLVKDONJSA-N 1 1 261.369 2.856 50 0 CFAAMO c1ccc2c(c1)oc1c2ncnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000024659720 275071766 /nfs/dbraw/zinc/07/17/66/275071766.db2.gz GPIJLLCANAXYFB-GFCCVEGCSA-N 1 1 294.358 2.660 50 0 CFAAMO CCC(C)(C)OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008844685 276208018 /nfs/dbraw/zinc/20/80/18/276208018.db2.gz VYRKPHWIIBNPNU-MJBXVCDLSA-N 1 1 257.418 2.530 50 0 CFAAMO CCOC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000034203628 276283814 /nfs/dbraw/zinc/28/38/14/276283814.db2.gz IYQHIBQJNDNQMQ-JKSUJKDBSA-N 1 1 288.391 2.739 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000170625327 276363576 /nfs/dbraw/zinc/36/35/76/276363576.db2.gz OYRYNFXCKLFHQG-CAOSSQGBSA-N 1 1 295.471 2.985 50 0 CFAAMO C[NH+]1CCC(N[C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000097016444 277031385 /nfs/dbraw/zinc/03/13/85/277031385.db2.gz IFJLIBXFYDBRMV-CQSZACIVSA-N 1 1 262.397 2.977 50 0 CFAAMO CC(C)(C)C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004029217 277131782 /nfs/dbraw/zinc/13/17/82/277131782.db2.gz JJYKYGSRKXDFDX-QWHCGFSZSA-N 1 1 253.386 2.840 50 0 biogenic,in-vitro CFAAMO CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000071883380 277137549 /nfs/dbraw/zinc/13/75/49/277137549.db2.gz FSZRAIPZYLSNIH-GFCCVEGCSA-N 1 1 252.402 2.556 50 0 CFAAMO CC(C)(C)OCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000084240882 277214117 /nfs/dbraw/zinc/21/41/17/277214117.db2.gz MSADSTGUCNFGDV-ZDUSSCGKSA-N 1 1 251.374 2.752 50 0 CFAAMO CC(C)=CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000230175427 277322900 /nfs/dbraw/zinc/32/29/00/277322900.db2.gz JZNZEWNJPCSUBN-HOCLYGCPSA-N 1 1 294.345 2.792 50 0 CFAAMO CC(C)=CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000230175427 277322901 /nfs/dbraw/zinc/32/29/01/277322901.db2.gz JZNZEWNJPCSUBN-HOCLYGCPSA-N 1 1 294.345 2.792 50 0 CFAAMO C[C@@]1(c2ccccc2)CCCN(c2cc[nH+]c(N)n2)C1 ZINC000095518396 279175519 /nfs/dbraw/zinc/17/55/19/279175519.db2.gz KNFYSUJDUTVKEH-MRXNPFEDSA-N 1 1 268.364 2.617 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000055209759 279313079 /nfs/dbraw/zinc/31/30/79/279313079.db2.gz UVAUSNQMFWZRRF-BZUAXINKSA-N 1 1 290.382 2.530 50 0 CFAAMO Cc1c([C@H]2CCCN2c2cccc(C)[nH+]2)cnn1C ZINC000097163405 280256984 /nfs/dbraw/zinc/25/69/84/280256984.db2.gz AVGRBXUJBBCLED-CQSZACIVSA-N 1 1 256.353 2.773 50 0 CFAAMO Cc1[nH+]ccn1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000095990952 280579466 /nfs/dbraw/zinc/57/94/66/280579466.db2.gz FWQKTKRWSBUFGD-UHFFFAOYSA-N 1 1 274.274 2.704 50 0 CFAAMO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000285443936 281147039 /nfs/dbraw/zinc/14/70/39/281147039.db2.gz KECVXZTYMZBSAT-CJNGLKHVSA-N 1 1 286.350 2.546 50 0 CFAAMO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000285443936 281147043 /nfs/dbraw/zinc/14/70/43/281147043.db2.gz KECVXZTYMZBSAT-CJNGLKHVSA-N 1 1 286.350 2.546 50 0 CFAAMO C[NH+](C)C1(c2nnnn2C2CCCCC2)CCCCC1 ZINC000004591666 289062154 /nfs/dbraw/zinc/06/21/54/289062154.db2.gz GFNSNRXVNODKIS-UHFFFAOYSA-N 1 1 277.416 2.899 50 0 CFAAMO Cc1cnc(C)c(NC[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000534652458 328337901 /nfs/dbraw/zinc/33/79/01/328337901.db2.gz CVFFWYLGNHEGAE-CQSZACIVSA-N 1 1 274.412 2.770 50 0 CFAAMO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1nc(C2CC2)no1 ZINC000132482650 323626106 /nfs/dbraw/zinc/62/61/06/323626106.db2.gz SXOZLSXVZICMGI-MWLCHTKSSA-N 1 1 279.384 2.944 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H]2CCCC[C@@H]2C)C1 ZINC000195560438 324109667 /nfs/dbraw/zinc/10/96/67/324109667.db2.gz ROOYBKJWKRKOHG-IMJJTQAJSA-N 1 1 266.429 2.613 50 0 CFAAMO CC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)C(C)C ZINC000036102225 327335635 /nfs/dbraw/zinc/33/56/35/327335635.db2.gz HUSATWGYVWHKHW-AWEZNQCLSA-N 1 1 251.370 2.677 50 0 CFAAMO Cc1nc(NCCC[N@H+]2CCC[C@H](CO)C2)ccc1Cl ZINC000828711219 782103667 /nfs/dbraw/zinc/10/36/67/782103667.db2.gz SEAOFMBZFLKTEI-ZDUSSCGKSA-N 1 1 297.830 2.550 50 0 CFAAMO CCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789544 519887425 /nfs/dbraw/zinc/88/74/25/519887425.db2.gz XUNCIJFDBMSFME-UHFFFAOYSA-N 1 1 293.436 2.767 50 0 CFAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccco1 ZINC000004061546 534557854 /nfs/dbraw/zinc/55/78/54/534557854.db2.gz YUBGHPIFZHJULL-QWHCGFSZSA-N 1 1 263.337 2.701 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000215078321 522977042 /nfs/dbraw/zinc/97/70/42/522977042.db2.gz PDLDTWNHOJBFFG-UHFFFAOYSA-N 1 1 272.396 2.777 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000312330143 524400800 /nfs/dbraw/zinc/40/08/00/524400800.db2.gz UDXAFNNFOHGBFA-UHFFFAOYSA-N 1 1 267.376 2.712 50 0 CFAAMO Cc1noc([C@@H](C)SCCCn2cc[nH+]c2C)n1 ZINC000095988310 526649051 /nfs/dbraw/zinc/64/90/51/526649051.db2.gz RJGXRUQSCYMQFT-SECBINFHSA-N 1 1 266.370 2.767 50 0 CFAAMO CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000096439512 528817195 /nfs/dbraw/zinc/81/71/95/528817195.db2.gz KDGLQLXXOFLQOL-HZPDHXFCSA-N 1 1 293.455 2.714 50 0 CFAAMO C[C@H](CCc1c[nH]c2ccccc12)[N@H+](C)Cc1nncn1C ZINC000670450299 545587013 /nfs/dbraw/zinc/58/70/13/545587013.db2.gz ZSRJHAFZDCEJJR-CYBMUJFWSA-N 1 1 297.406 2.750 50 0 CFAAMO C[C@H](CCc1c[nH]c2ccccc12)[N@@H+](C)Cc1nncn1C ZINC000670450299 545587016 /nfs/dbraw/zinc/58/70/16/545587016.db2.gz ZSRJHAFZDCEJJR-CYBMUJFWSA-N 1 1 297.406 2.750 50 0 CFAAMO CC[C@@H](C(=O)NCc1nc(C(C)(C)C)cs1)[N@@H+](C)CC ZINC000952962329 615383215 /nfs/dbraw/zinc/38/32/15/615383215.db2.gz DOLGILWBTWJTHQ-NSHDSACASA-N 1 1 297.468 2.787 50 0 CFAAMO CC[C@@H]1C=CC[N@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000952968207 615551150 /nfs/dbraw/zinc/55/11/50/615551150.db2.gz KHVNYWDKSNHWNH-CYBMUJFWSA-N 1 1 255.321 2.887 50 0 CFAAMO CC[C@H](C(=O)NCCC1CCCCC1)[N@@H+](C)CC ZINC000952979984 615605638 /nfs/dbraw/zinc/60/56/38/615605638.db2.gz QBGYJTXWHGWVIH-CQSZACIVSA-N 1 1 254.418 2.803 50 0 CFAAMO CCc1nc(C)c(C[NH2+]CC2(N(C)C)CCCCC2)[nH]1 ZINC000952985504 615736836 /nfs/dbraw/zinc/73/68/36/615736836.db2.gz SZGYJZLPBKHAMQ-UHFFFAOYSA-N 1 1 278.444 2.635 50 0 CFAAMO CSCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011844464 626198707 /nfs/dbraw/zinc/19/87/07/626198707.db2.gz IFINZUWZEGHWHL-AWEZNQCLSA-N 1 1 284.469 2.510 50 0 CFAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CCC1 ZINC000012596496 626451156 /nfs/dbraw/zinc/45/11/56/626451156.db2.gz YSRAQCIWDRXVCP-OAHLLOKOSA-N 1 1 290.382 2.706 50 0 CFAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CCC1 ZINC000012596496 626451158 /nfs/dbraw/zinc/45/11/58/626451158.db2.gz YSRAQCIWDRXVCP-OAHLLOKOSA-N 1 1 290.382 2.706 50 0 CFAAMO Cc1ccc(OCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000019720546 651293018 /nfs/dbraw/zinc/29/30/18/651293018.db2.gz LZHSZNNJIKUNGN-UHFFFAOYSA-N 1 1 269.772 2.750 50 0 CFAAMO CC(C)c1ccccc1OCCC[NH+]1CCOCC1 ZINC000019770633 651293250 /nfs/dbraw/zinc/29/32/50/651293250.db2.gz AACCLQVUHPXNBR-UHFFFAOYSA-N 1 1 263.381 2.911 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)Cc2cccs2)C1 ZINC000020453995 651299192 /nfs/dbraw/zinc/29/91/92/651299192.db2.gz MXSMJLHEALYMKE-CYBMUJFWSA-N 1 1 280.437 2.829 50 0 CFAAMO Cc1nn(-c2ccccc2)c(C)c1CC[N@H+]1CCCOCC1 ZINC000020855779 651302011 /nfs/dbraw/zinc/30/20/11/651302011.db2.gz JMRXRPMZJNLALH-UHFFFAOYSA-N 1 1 299.418 2.754 50 0 CFAAMO Cc1nc2c([nH]1)CN(C(=O)NC(C)(C)CC(C)C)CC2 ZINC000820988966 781877608 /nfs/dbraw/zinc/87/76/08/781877608.db2.gz ZXZQJXNDRMYYHT-UHFFFAOYSA-N 1 1 278.400 2.611 50 0 CFAAMO COc1ccc2c(C)cc(N3CCC[C@H](CO)C3)[nH+]c2c1 ZINC000023634041 775531739 /nfs/dbraw/zinc/53/17/39/775531739.db2.gz BHXDMIJFJZBMHC-ZDUSSCGKSA-N 1 1 286.375 2.761 50 0 CFAAMO C[C@@H](NC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)c1ccccc1 ZINC000063872578 781562688 /nfs/dbraw/zinc/56/26/88/781562688.db2.gz YSMSGWNMWMGGFC-KBAYOESNSA-N 1 1 288.435 2.717 50 0 CFAAMO C[C@@H](NC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)c1ccccc1 ZINC000063872578 781562692 /nfs/dbraw/zinc/56/26/92/781562692.db2.gz YSMSGWNMWMGGFC-KBAYOESNSA-N 1 1 288.435 2.717 50 0 CFAAMO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000096489214 230382368 /nfs/dbraw/zinc/38/23/68/230382368.db2.gz AUTIJARPOJAWSC-GOOCMWNKSA-N 1 1 288.395 2.527 50 0 CFAAMO C[C@@H](O)C[N@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000095961383 185043978 /nfs/dbraw/zinc/04/39/78/185043978.db2.gz SYPHYCDXRPQKAB-SNVBAGLBSA-N 1 1 280.368 2.762 50 0 CFAAMO C[C@@H](O)C[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000095961383 185043980 /nfs/dbraw/zinc/04/39/80/185043980.db2.gz SYPHYCDXRPQKAB-SNVBAGLBSA-N 1 1 280.368 2.762 50 0 CFAAMO CC(C)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1=O ZINC000095975875 185051174 /nfs/dbraw/zinc/05/11/74/185051174.db2.gz LCIZTRNDBZQCQH-CYBMUJFWSA-N 1 1 266.410 2.579 50 0 CFAAMO CC(C)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1=O ZINC000095975875 185051176 /nfs/dbraw/zinc/05/11/76/185051176.db2.gz LCIZTRNDBZQCQH-CYBMUJFWSA-N 1 1 266.410 2.579 50 0 CFAAMO Cc1nc(CN[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000095986402 185056119 /nfs/dbraw/zinc/05/61/19/185056119.db2.gz GXJDWDTUSQGPOM-NSHDSACASA-N 1 1 297.362 2.723 50 0 CFAAMO Cc1ccsc1C[N@@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000096797771 185114836 /nfs/dbraw/zinc/11/48/36/185114836.db2.gz YWUYRLHMIJOFQB-AWEZNQCLSA-N 1 1 274.389 2.715 50 0 CFAAMO Cc1ccsc1C[N@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000096797771 185114838 /nfs/dbraw/zinc/11/48/38/185114838.db2.gz YWUYRLHMIJOFQB-AWEZNQCLSA-N 1 1 274.389 2.715 50 0 CFAAMO Cc1nnc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000097033600 185156616 /nfs/dbraw/zinc/15/66/16/185156616.db2.gz YXIOOYJILTYTIT-LLVKDONJSA-N 1 1 299.403 2.883 50 0 CFAAMO CC(=O)Nc1ccc(C)c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000097034031 185156781 /nfs/dbraw/zinc/15/67/81/185156781.db2.gz MRBWVQCCSNIABF-IUODEOHRSA-N 1 1 287.407 2.991 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000072267529 346924810 /nfs/dbraw/zinc/92/48/10/346924810.db2.gz WLKDGKOURPATAO-KRWDZBQOSA-N 1 1 284.407 2.950 50 0 CFAAMO Cc1nn(C)c(C)c1[C@H]1CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000071859646 282266324 /nfs/dbraw/zinc/26/63/24/282266324.db2.gz DEAMIVUJYJWPJY-CYBMUJFWSA-N 1 1 296.378 2.650 50 0 CFAAMO Fc1ccc(N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000072947072 346952318 /nfs/dbraw/zinc/95/23/18/346952318.db2.gz BAYDZPXGDZBNGA-UHFFFAOYSA-N 1 1 271.339 2.543 50 0 CFAAMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(C)(C)O)c1 ZINC000075838938 282299406 /nfs/dbraw/zinc/29/94/06/282299406.db2.gz CWQNZXOFHITDDR-OAHLLOKOSA-N 1 1 262.397 2.660 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)cc1 ZINC000096441613 529937849 /nfs/dbraw/zinc/93/78/49/529937849.db2.gz FKLLEGKOBGXBKF-GJZGRUSLSA-N 1 1 292.448 2.762 50 0 CFAAMO c1ccc2c(c1)cccc2OCCC[NH+]1CCOCC1 ZINC000016662273 232172669 /nfs/dbraw/zinc/17/26/69/232172669.db2.gz XZCGJKUWTJXATC-UHFFFAOYSA-N 1 1 271.360 2.941 50 0 CFAAMO CC[N@H+]1CC[C@@H](Nc2cccc3c2OCCO3)[C@H](C)C1 ZINC000097162704 185552488 /nfs/dbraw/zinc/55/24/88/185552488.db2.gz AIJCHPNYHMWZHA-CHWSQXEVSA-N 1 1 276.380 2.600 50 0 CFAAMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc3ccccc3n2)C1 ZINC000076060684 539484568 /nfs/dbraw/zinc/48/45/68/539484568.db2.gz HUKDKOACZCPEDE-ZDUSSCGKSA-N 1 1 269.348 2.515 50 0 CFAAMO c1c[nH+]c([C@H]2CCCN(c3nccc4occc43)C2)[nH]1 ZINC000091479764 347588972 /nfs/dbraw/zinc/58/89/72/347588972.db2.gz ZQCCSHBHFBTMBU-NSHDSACASA-N 1 1 268.320 2.935 50 0 CFAAMO COc1ccc([C@@H](C)C[N@@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000097230946 347707779 /nfs/dbraw/zinc/70/77/79/347707779.db2.gz IZCODVSQWNHFED-RBZFPXEDSA-N 1 1 295.448 2.642 50 0 CFAAMO COc1ccc([C@@H](C)C[N@H+]2CC[S@@](=O)C(C)(C)C2)cc1 ZINC000097230946 347707781 /nfs/dbraw/zinc/70/77/81/347707781.db2.gz IZCODVSQWNHFED-RBZFPXEDSA-N 1 1 295.448 2.642 50 0 CFAAMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccncc1 ZINC000097370668 347708678 /nfs/dbraw/zinc/70/86/78/347708678.db2.gz UITQSMITQQWXCI-CYBMUJFWSA-N 1 1 293.374 2.728 50 0 CFAAMO Cc1nc(N(C)C)sc1C[N@H+](C)Cc1ccccn1 ZINC000097375246 347709542 /nfs/dbraw/zinc/70/95/42/347709542.db2.gz OXAWWMPTLDUCPY-UHFFFAOYSA-N 1 1 276.409 2.545 50 0 CFAAMO Cc1nc(N(C)C)sc1C[N@@H+](C)Cc1ccccn1 ZINC000097375246 347709546 /nfs/dbraw/zinc/70/95/46/347709546.db2.gz OXAWWMPTLDUCPY-UHFFFAOYSA-N 1 1 276.409 2.545 50 0 CFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC000110632163 347749510 /nfs/dbraw/zinc/74/95/10/347749510.db2.gz JAQHZORBDHAHRD-CHWSQXEVSA-N 1 1 280.437 2.652 50 0 CFAAMO Cc1cccc(OC2CC[NH+](Cc3cncs3)CC2)n1 ZINC000154345739 347980255 /nfs/dbraw/zinc/98/02/55/347980255.db2.gz ZOXDQPUHBNFYNA-UHFFFAOYSA-N 1 1 289.404 2.890 50 0 CFAAMO C[C@@H]([NH2+][C@@H]1CCSC1)c1nc(C2CCCC2)no1 ZINC000191589204 348138247 /nfs/dbraw/zinc/13/82/47/348138247.db2.gz HORABHSTMUVKRO-MWLCHTKSSA-N 1 1 267.398 2.883 50 0 CFAAMO Cc1ccc2cc(C[N@H+]3CC[C@@](C)(CO)C3)ccc2n1 ZINC000225481591 348177441 /nfs/dbraw/zinc/17/74/41/348177441.db2.gz BSQXNAIDVGVICJ-QGZVFWFLSA-N 1 1 270.376 2.748 50 0 CFAAMO Cc1cc(Cl)ccc1C[NH2+]Cc1nnc2ccccn21 ZINC000128735755 187387175 /nfs/dbraw/zinc/38/71/75/187387175.db2.gz LDYJIOLQILWGOF-UHFFFAOYSA-N 1 1 286.766 2.981 50 0 CFAAMO Cc1cc(O)ccc1C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000584888489 348728270 /nfs/dbraw/zinc/72/82/70/348728270.db2.gz SGLPECJTBBLUTE-UHFFFAOYSA-N 1 1 290.407 2.647 50 0 CFAAMO COc1ccc2nc(CC[NH2+][C@H]3CCCSC3)[nH]c2c1 ZINC000584892303 348728854 /nfs/dbraw/zinc/72/88/54/348728854.db2.gz KODNMFUIIFBOAW-NSHDSACASA-N 1 1 291.420 2.599 50 0 CFAAMO CN(C[C@@H]1CCCC[N@H+]1C)c1nc(-c2ccccc2)no1 ZINC000584896434 348731404 /nfs/dbraw/zinc/73/14/04/348731404.db2.gz LYWHCFWMOYHTIR-AWEZNQCLSA-N 1 1 286.379 2.657 50 0 CFAAMO Cn1c[nH+]cc1CCCOc1cc(F)cc(F)c1 ZINC000585136962 348736379 /nfs/dbraw/zinc/73/63/79/348736379.db2.gz AMRXKOSKVGCSFC-UHFFFAOYSA-N 1 1 252.264 2.710 50 0 CFAAMO COc1cccc(C)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000585140353 348736729 /nfs/dbraw/zinc/73/67/29/348736729.db2.gz CPKLXLUPVDUKCP-KGLIPLIRSA-N 1 1 262.397 2.576 50 0 CFAAMO COc1cccc(C)c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000585140353 348736733 /nfs/dbraw/zinc/73/67/33/348736733.db2.gz CPKLXLUPVDUKCP-KGLIPLIRSA-N 1 1 262.397 2.576 50 0 CFAAMO C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccn(C)n1 ZINC000414059653 233156221 /nfs/dbraw/zinc/15/62/21/233156221.db2.gz WWEJDVMKUUWDTK-ZFWWWQNUSA-N 1 1 288.395 2.501 50 0 CFAAMO O=C(c1ccsc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091390896 180144967 /nfs/dbraw/zinc/14/49/67/180144967.db2.gz SYBALMUYSVXRGT-UKRRQHHQSA-N 1 1 290.432 2.695 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)c(F)c1 ZINC000091416518 180149596 /nfs/dbraw/zinc/14/95/96/180149596.db2.gz VDQSIZSJDQAVDX-INIZCTEOSA-N 1 1 281.371 2.817 50 0 CFAAMO COC[C@]1(O)CC[N@@H+](Cc2ccc(C)s2)CC1(C)C ZINC000091425297 180152212 /nfs/dbraw/zinc/15/22/12/180152212.db2.gz DJSHXXXLYLOTBA-OAHLLOKOSA-N 1 1 283.437 2.666 50 0 CFAAMO Cc1ccc([C@@H](C(=O)NCc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000091593920 180201522 /nfs/dbraw/zinc/20/15/22/180201522.db2.gz KCNNFEUGXNNICW-KRWDZBQOSA-N 1 1 298.386 2.620 50 0 CFAAMO CCc1ccccc1C[N@H+]1CCC[C@](CO)(CCOC)C1 ZINC000091504498 180175973 /nfs/dbraw/zinc/17/59/73/180175973.db2.gz CWWJRFCKPQEBIG-SFHVURJKSA-N 1 1 291.435 2.860 50 0 CFAAMO CCc1c[nH+]c(N)nc1N[C@H](C)c1csc(C)n1 ZINC000091536676 180182320 /nfs/dbraw/zinc/18/23/20/180182320.db2.gz VIHDYUMBAKOPJU-SSDOTTSWSA-N 1 1 263.370 2.559 50 0 CFAAMO C/C=C(\C)C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091624730 180209770 /nfs/dbraw/zinc/20/97/70/180209770.db2.gz BEBVZNUMFBUTTC-SMRRIUIHSA-N 1 1 299.418 2.584 50 0 CFAAMO C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000091960558 180292212 /nfs/dbraw/zinc/29/22/12/180292212.db2.gz LBUXPBUYIHWUKQ-YOEHRIQHSA-N 1 1 297.402 2.901 50 0 CFAAMO Cc1ccc2nc(C[N@H+]3CC[C@](C)(O)C(C)(C)C3)cn2c1 ZINC000091965636 180293659 /nfs/dbraw/zinc/29/36/59/180293659.db2.gz YMYFDCSXRXSXNJ-KRWDZBQOSA-N 1 1 287.407 2.626 50 0 CFAAMO CCc1nn(C)c(Cl)c1C[N@H+](CC)C[C@H]1CCCO1 ZINC000092406856 180380393 /nfs/dbraw/zinc/38/03/93/180380393.db2.gz HZSXUJASDVFSLB-LLVKDONJSA-N 1 1 285.819 2.637 50 0 CFAAMO CCc1nn(C)c(Cl)c1C[N@@H+](CC)C[C@H]1CCCO1 ZINC000092406856 180380394 /nfs/dbraw/zinc/38/03/94/180380394.db2.gz HZSXUJASDVFSLB-LLVKDONJSA-N 1 1 285.819 2.637 50 0 CFAAMO Cc1csc(N2CC[N@H+](C[C@@H]3CCCCO3)C[C@H]2C)n1 ZINC000106775719 186135582 /nfs/dbraw/zinc/13/55/82/186135582.db2.gz SWXIVJQPSWWEPU-KGLIPLIRSA-N 1 1 295.452 2.531 50 0 CFAAMO C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000107361358 186171157 /nfs/dbraw/zinc/17/11/57/186171157.db2.gz VZXLVQYOJMTAHK-FGTMMUONSA-N 1 1 294.483 2.857 50 0 CFAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCc2ccncc2)C1 ZINC000107145136 186160729 /nfs/dbraw/zinc/16/07/29/186160729.db2.gz AIACHDSZNWKNDB-ZIAGYGMSSA-N 1 1 250.411 2.840 50 0 CFAAMO C[C@H](CCSc1ccccc1)[N@H+]1CC[C@@H](CO)C1 ZINC000108123963 186204999 /nfs/dbraw/zinc/20/49/99/186204999.db2.gz QOOUGLHYKBEGKC-ZIAGYGMSSA-N 1 1 265.422 2.872 50 0 CFAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)[C@H]1CC=CCC1 ZINC000618256349 352740183 /nfs/dbraw/zinc/74/01/83/352740183.db2.gz GSUNGEZGMTUELC-GJZGRUSLSA-N 1 1 290.432 2.795 50 0 CFAAMO COc1c(C)cc(C)cc1CN1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000215083832 539965539 /nfs/dbraw/zinc/96/55/39/539965539.db2.gz JHWIJZAMTWXWAE-DOTOQJQBSA-N 1 1 288.435 2.838 50 0 CFAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)cc1 ZINC000155152583 188187071 /nfs/dbraw/zinc/18/70/71/188187071.db2.gz ARKKPMNQKIEQKW-OAHLLOKOSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)cc1 ZINC000155152583 188187072 /nfs/dbraw/zinc/18/70/72/188187072.db2.gz ARKKPMNQKIEQKW-OAHLLOKOSA-N 1 1 257.337 2.755 50 0 CFAAMO CC[N@H+]1CC[C@H](Nc2ccc3n[nH]cc3c2)[C@@H](C)C1 ZINC000685939761 540020942 /nfs/dbraw/zinc/02/09/42/540020942.db2.gz PDVOUWPOYAPCIJ-FZMZJTMJSA-N 1 1 258.369 2.705 50 0 CFAAMO C[C@@H]([NH2+]Cc1cccs1)c1nnc2n1CCCC2 ZINC000084668010 540204848 /nfs/dbraw/zinc/20/48/48/540204848.db2.gz STFIDZPZMYGACW-SNVBAGLBSA-N 1 1 262.382 2.527 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)NCCc1cccc(C)c1 ZINC000823557506 781934670 /nfs/dbraw/zinc/93/46/70/781934670.db2.gz SATZHKLRRPSXTF-UHFFFAOYSA-N 1 1 285.391 2.503 50 0 CFAAMO Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000248124868 540258849 /nfs/dbraw/zinc/25/88/49/540258849.db2.gz ZUAHEXVYJBMJTO-XLAORIBOSA-N 1 1 298.430 2.842 50 0 CFAAMO Cc1noc([C@H]([NH2+][C@@H](C)Cn2cnc(C)c2C)C(C)C)n1 ZINC000091724503 540398583 /nfs/dbraw/zinc/39/85/83/540398583.db2.gz AJYJZSLADURHGA-IINYFYTJSA-N 1 1 291.399 2.567 50 0 CFAAMO C[N@@H+](CCC1(O)CCCC1)C[C@@H]1CCOC(C)(C)C1 ZINC000823689956 781935963 /nfs/dbraw/zinc/93/59/63/781935963.db2.gz IARZFLNSLVPJCB-CQSZACIVSA-N 1 1 269.429 2.819 50 0 CFAAMO CC1CCC(C[NH+]2CCC(c3nc[nH]n3)CC2)CC1 ZINC000093646481 540723432 /nfs/dbraw/zinc/72/34/32/540723432.db2.gz ZOPWUTBEXHYTFM-UHFFFAOYSA-N 1 1 262.401 2.810 50 0 CFAAMO CC(C)c1noc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)n1 ZINC000178006114 189084605 /nfs/dbraw/zinc/08/46/05/189084605.db2.gz JVZQELAMMDWVLM-LBPRGKRZSA-N 1 1 289.379 2.962 50 0 CFAAMO CC(C)c1noc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)n1 ZINC000178006114 189084606 /nfs/dbraw/zinc/08/46/06/189084606.db2.gz JVZQELAMMDWVLM-LBPRGKRZSA-N 1 1 289.379 2.962 50 0 CFAAMO Cc1cccc(C)c1OCC[N@H+](C)C[C@H]1CCOC1 ZINC000178363871 189110653 /nfs/dbraw/zinc/11/06/53/189110653.db2.gz LLZXZZHUVYZZGJ-OAHLLOKOSA-N 1 1 263.381 2.651 50 0 CFAAMO Cc1cccc(C)c1OCC[N@H+](C)C[C@@H]1CCOC1 ZINC000178363851 189110762 /nfs/dbraw/zinc/11/07/62/189110762.db2.gz LLZXZZHUVYZZGJ-HNNXBMFYSA-N 1 1 263.381 2.651 50 0 CFAAMO Cc1nn(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(=S)n1C ZINC000012908565 540923320 /nfs/dbraw/zinc/92/33/20/540923320.db2.gz XAFSZFRWKGBVGZ-STQMWFEESA-N 1 1 280.441 2.872 50 0 CFAAMO Cc1nn(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(=S)n1C ZINC000012908565 540923322 /nfs/dbraw/zinc/92/33/22/540923322.db2.gz XAFSZFRWKGBVGZ-STQMWFEESA-N 1 1 280.441 2.872 50 0 CFAAMO CSc1ncc(C[N@H+]2CCC3(CCCC3)C2)cn1 ZINC000670439130 540995218 /nfs/dbraw/zinc/99/52/18/540995218.db2.gz WPADTAQKJSLGPR-UHFFFAOYSA-N 1 1 263.410 2.965 50 0 CFAAMO CCc1ccc(C[N@@H+](C)CCn2nc(C)cc2C)nc1 ZINC000670454134 541000608 /nfs/dbraw/zinc/00/06/08/541000608.db2.gz QCXHZQXXCVPILJ-UHFFFAOYSA-N 1 1 272.396 2.589 50 0 CFAAMO Cc1cc(C)n(C[C@H](C)[NH+]2CC(Oc3cccc(C)c3)C2)n1 ZINC000670455704 541001546 /nfs/dbraw/zinc/00/15/46/541001546.db2.gz XQUVMUDCYZOXGI-INIZCTEOSA-N 1 1 299.418 2.960 50 0 CFAAMO Cn1nc(C[N@@H+](C)C[C@@H]2CCOC2)c2c1cccc2Cl ZINC000670458257 541002011 /nfs/dbraw/zinc/00/20/11/541002011.db2.gz WNYQZLDHWIJVJY-NSHDSACASA-N 1 1 293.798 2.695 50 0 CFAAMO Cc1ncsc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000670458227 541002141 /nfs/dbraw/zinc/00/21/41/541002141.db2.gz GRFOIXAATROPMD-LBPRGKRZSA-N 1 1 274.393 2.621 50 0 CFAAMO O=C1N[C@H]2CCC[C@@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC000670464167 541005501 /nfs/dbraw/zinc/00/55/01/541005501.db2.gz XQXYBPWSBGMXEU-SJORKVTESA-N 1 1 286.419 2.610 50 0 CFAAMO CCn1ccc2cc(C[N@H+]3CC[C@H](CC(=O)NC)C3)ccc21 ZINC000670468412 541007071 /nfs/dbraw/zinc/00/70/71/541007071.db2.gz HQLHOAFUEXZMCP-OAHLLOKOSA-N 1 1 299.418 2.619 50 0 CFAAMO CS[C@H](C)CC[N@@H+](C)CCc1c(C)n[nH]c1C ZINC000216213551 189701765 /nfs/dbraw/zinc/70/17/65/189701765.db2.gz HDADJGMQBMKRAW-SNVBAGLBSA-N 1 1 255.431 2.642 50 0 CFAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(F)c(Cl)c1 ZINC000000139884 371540280 /nfs/dbraw/zinc/54/02/80/371540280.db2.gz AYTVVQVBRKLBJO-UHFFFAOYSA-N 1 1 270.735 2.904 50 0 CFAAMO CC1=C[C@H](C)[C@H](COC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000000171958 371548094 /nfs/dbraw/zinc/54/80/94/371548094.db2.gz DUHAEGVEICDSOU-KKUMJFAQSA-N 1 1 265.397 2.864 50 0 CFAAMO CCCN1CCC([N@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000000214842 371560768 /nfs/dbraw/zinc/56/07/68/371560768.db2.gz XCWDJFZIQMPNKJ-QGZVFWFLSA-N 1 1 276.424 2.526 50 0 CFAAMO CCCN1CCC([N@@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000000214842 371560774 /nfs/dbraw/zinc/56/07/74/371560774.db2.gz XCWDJFZIQMPNKJ-QGZVFWFLSA-N 1 1 276.424 2.526 50 0 CFAAMO CCOC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000000238100 371564764 /nfs/dbraw/zinc/56/47/64/371564764.db2.gz OYXHZHQLUBTZEW-UHFFFAOYSA-N 1 1 265.328 2.601 50 0 CFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000000239981 371566014 /nfs/dbraw/zinc/56/60/14/371566014.db2.gz ZJMWYJHDDYIQBF-CYBMUJFWSA-N 1 1 265.328 2.601 50 0 CFAAMO Cc1[nH+]ccn1C[C@H](O)COc1cccc2ccccc21 ZINC000000282917 371577160 /nfs/dbraw/zinc/57/71/60/371577160.db2.gz MUOOISYQSYBRKC-HNNXBMFYSA-N 1 1 282.343 2.785 50 0 CFAAMO CCN1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000000757758 371649055 /nfs/dbraw/zinc/64/90/55/371649055.db2.gz CVPPIYQJNBRFBQ-UHFFFAOYSA-N 1 1 252.789 2.914 50 0 CFAAMO CC[NH+]1CCC(NCc2ccc(Cl)cc2)CC1 ZINC000000757758 371649059 /nfs/dbraw/zinc/64/90/59/371649059.db2.gz CVPPIYQJNBRFBQ-UHFFFAOYSA-N 1 1 252.789 2.914 50 0 CFAAMO O[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000757447 371649185 /nfs/dbraw/zinc/64/91/85/371649185.db2.gz RJAFQZOHNBTPFY-VIFPVBQESA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000757447 371649189 /nfs/dbraw/zinc/64/91/89/371649189.db2.gz RJAFQZOHNBTPFY-VIFPVBQESA-N 1 1 260.164 2.950 50 0 CFAAMO Cc1ccc(CCCOC(=O)C[NH+]2CCCC2)cc1 ZINC000002364899 371724582 /nfs/dbraw/zinc/72/45/82/371724582.db2.gz ZVAVJWKZJOMTCP-UHFFFAOYSA-N 1 1 261.365 2.567 50 0 CFAAMO CCOC(=O)CCC(=O)c1ccccc1C[NH+]1CC=CC1 ZINC000002516307 371731325 /nfs/dbraw/zinc/73/13/25/371731325.db2.gz KJMOZDPCFAAFPX-UHFFFAOYSA-N 1 1 287.359 2.584 50 0 CFAAMO O=C(c1ccc(C[NH+]2CCSCC2)cc1)C1CC1 ZINC000002514816 371731528 /nfs/dbraw/zinc/73/15/28/371731528.db2.gz NNBLPVYCDYXCFS-UHFFFAOYSA-N 1 1 261.390 2.828 50 0 CFAAMO C[N@@H+](CCOC(=O)c1ccc(F)cc1)C(C)(C)C ZINC000002971253 371766690 /nfs/dbraw/zinc/76/66/90/371766690.db2.gz BBFABUVBBRAVSE-UHFFFAOYSA-N 1 1 253.317 2.713 50 0 CFAAMO Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000003342712 371793583 /nfs/dbraw/zinc/79/35/83/371793583.db2.gz MBIOSLMOOAEETM-GASCZTMLSA-N 1 1 274.408 2.874 50 0 CFAAMO COc1ccc(-n2c(C)c(C)c3c2nc[nH+]c3N)cc1 ZINC000003888800 371822925 /nfs/dbraw/zinc/82/29/25/371822925.db2.gz WCUGJOJSGAXETJ-UHFFFAOYSA-N 1 1 268.320 2.628 50 0 CFAAMO C[NH+](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004015680 371827077 /nfs/dbraw/zinc/82/70/77/371827077.db2.gz BPLHMCHAQNERQM-UHFFFAOYSA-N 1 1 270.332 2.979 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000004263185 371846189 /nfs/dbraw/zinc/84/61/89/371846189.db2.gz CRZVQVZEELAJAD-YOEHRIQHSA-N 1 1 289.419 2.789 50 0 CFAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000004167140 371838393 /nfs/dbraw/zinc/83/83/93/371838393.db2.gz HOTLIFUDQTYBKZ-HOTGVXAUSA-N 1 1 277.408 2.918 50 0 CFAAMO Nc1nc(C[NH+]2CCCCCC2)nc(Nc2ccccc2)n1 ZINC000004168448 371838522 /nfs/dbraw/zinc/83/85/22/371838522.db2.gz FPWCSKYRBFILLH-UHFFFAOYSA-N 1 1 298.394 2.573 50 0 CFAAMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000011916594 371937021 /nfs/dbraw/zinc/93/70/21/371937021.db2.gz AGXQSQZEJYDBBE-CQSZACIVSA-N 1 1 272.348 2.621 50 0 CFAAMO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000007447141 371894606 /nfs/dbraw/zinc/89/46/06/371894606.db2.gz WZSNVMQEIJJYFR-CYBMUJFWSA-N 1 1 288.391 2.948 50 0 CFAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000012475467 371964489 /nfs/dbraw/zinc/96/44/89/371964489.db2.gz PDHGYLYAZCWQBM-JTQLQIEISA-N 1 1 267.756 2.873 50 0 CFAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000012572264 371975697 /nfs/dbraw/zinc/97/56/97/371975697.db2.gz RVFSVTXQEJTPFC-INIZCTEOSA-N 1 1 298.386 2.717 50 0 CFAAMO CCc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000012882061 371993957 /nfs/dbraw/zinc/99/39/57/371993957.db2.gz MFJHWSGGACIUQY-GDBMZVCRSA-N 1 1 277.408 2.721 50 0 CFAAMO C[N@@H+](CC(=O)N1CCCCC1)[C@H]1CCc2ccccc21 ZINC000012986648 372008091 /nfs/dbraw/zinc/00/80/91/372008091.db2.gz WKVOHIGTOSLXBR-INIZCTEOSA-N 1 1 272.392 2.618 50 0 CFAAMO O=C1c2ccccc2C(=O)N1C[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000014983408 372077148 /nfs/dbraw/zinc/07/71/48/372077148.db2.gz IJHKXSCEURLJGJ-CJNGLKHVSA-N 1 1 298.386 2.547 50 0 CFAAMO CCOC(=O)[C@@H]1CC2(CCCCC2)[N@H+]2CCC[C@@H]12 ZINC000014987480 372077289 /nfs/dbraw/zinc/07/72/89/372077289.db2.gz DUXGYQFYWPNKJS-OLZOCXBDSA-N 1 1 251.370 2.737 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000015831431 372092861 /nfs/dbraw/zinc/09/28/61/372092861.db2.gz STPZYSDEHWOJKF-CYBMUJFWSA-N 1 1 292.766 2.966 50 0 CFAAMO S=C1N=NC(C[NH+]2CCCCCC2)N1c1ccccc1 ZINC000019720385 372179878 /nfs/dbraw/zinc/17/98/78/372179878.db2.gz JXMGAHGGUGHTQO-UHFFFAOYSA-N 1 1 288.420 2.932 50 0 CFAAMO Cc1nn(C)c(C)c1C[N@@H+](C)CCc1n[nH]c2ccccc21 ZINC000019300429 372154362 /nfs/dbraw/zinc/15/43/62/372154362.db2.gz GWBCBGXRGMGJCS-UHFFFAOYSA-N 1 1 297.406 2.588 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000019367880 372158550 /nfs/dbraw/zinc/15/85/50/372158550.db2.gz VOAXNTXYXRVNCW-UHFFFAOYSA-N 1 1 270.376 2.906 50 0 CFAAMO Cc1[nH]c2c(cc(C)cc2C)c1CC[N@H+]1CC[C@H](O)C1 ZINC000019732146 372182275 /nfs/dbraw/zinc/18/22/75/372182275.db2.gz NPIOINLCJGOSFL-AWEZNQCLSA-N 1 1 272.392 2.702 50 0 CFAAMO CC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019537264 372173437 /nfs/dbraw/zinc/17/34/37/372173437.db2.gz PPBSKIUHAMTMQB-UHFFFAOYSA-N 1 1 254.377 2.977 50 0 CFAAMO CSc1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000019536722 372174348 /nfs/dbraw/zinc/17/43/48/372174348.db2.gz LUDUOUVWULFVST-UHFFFAOYSA-N 1 1 250.411 2.546 50 0 CFAAMO COCC[N@@H+](C)Cc1ccc(Cn2nc(C)cc2C)cc1 ZINC000019732005 372182507 /nfs/dbraw/zinc/18/25/07/372182507.db2.gz NJDZHPQSVWKKKF-UHFFFAOYSA-N 1 1 287.407 2.626 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)CC[C@@H](O)c1ccccc1 ZINC000019952264 372213679 /nfs/dbraw/zinc/21/36/79/372213679.db2.gz IUHIIDSBLVZJFS-MRXNPFEDSA-N 1 1 274.364 2.847 50 0 CFAAMO CCOc1ccccc1CNC[C@@H]1CCC[N@@H+]1CC ZINC000019959535 372215715 /nfs/dbraw/zinc/21/57/15/372215715.db2.gz GCAZXKHJDQJBCM-HNNXBMFYSA-N 1 1 262.397 2.659 50 0 CFAAMO CCOc1ccccc1CNC[C@@H]1CCC[N@H+]1CC ZINC000019959535 372215719 /nfs/dbraw/zinc/21/57/19/372215719.db2.gz GCAZXKHJDQJBCM-HNNXBMFYSA-N 1 1 262.397 2.659 50 0 CFAAMO CCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019770429 372183784 /nfs/dbraw/zinc/18/37/84/372183784.db2.gz ZWHRIHAICXNCJO-UHFFFAOYSA-N 1 1 294.398 2.995 50 0 CFAAMO CCc1cccc2c(=O)c(CN3CC[NH+](C)CC3)c(C)[nH]c12 ZINC000019793176 372187953 /nfs/dbraw/zinc/18/79/53/372187953.db2.gz AIMGVPVXMYBXGY-UHFFFAOYSA-N 1 1 299.418 2.559 50 0 CFAAMO CCc1cccc2c(=O)c(C[NH+]3CCN(C)CC3)c(C)[nH]c12 ZINC000019793176 372187957 /nfs/dbraw/zinc/18/79/57/372187957.db2.gz AIMGVPVXMYBXGY-UHFFFAOYSA-N 1 1 299.418 2.559 50 0 CFAAMO CCC[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019792701 372188620 /nfs/dbraw/zinc/18/86/20/372188620.db2.gz GTEMCOJIXLWYQZ-HNNXBMFYSA-N 1 1 274.408 2.767 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000023280564 372256222 /nfs/dbraw/zinc/25/62/22/372256222.db2.gz BVLCSNHCVKRLAX-NSHDSACASA-N 1 1 283.318 2.740 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000023280564 372256227 /nfs/dbraw/zinc/25/62/27/372256227.db2.gz BVLCSNHCVKRLAX-NSHDSACASA-N 1 1 283.318 2.740 50 0 CFAAMO Cc1cccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000026304699 372316310 /nfs/dbraw/zinc/31/63/10/372316310.db2.gz YMMWFOYHJWPZJT-UHFFFAOYSA-N 1 1 297.402 2.642 50 0 CFAAMO NC(=O)c1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC000028073116 372357358 /nfs/dbraw/zinc/35/73/58/372357358.db2.gz USWQFGGQUXRAJI-UHFFFAOYSA-N 1 1 270.332 2.543 50 0 CFAAMO CC[C@@H](CNCc1ccc(NC(C)=O)cc1)[NH+]1CCCC1 ZINC000030902803 372401294 /nfs/dbraw/zinc/40/12/94/372401294.db2.gz UCCVQCZSEIQHDH-KRWDZBQOSA-N 1 1 289.423 2.609 50 0 CFAAMO C[C@@H](C1CC1)[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CC1 ZINC000031654330 372414695 /nfs/dbraw/zinc/41/46/95/372414695.db2.gz ODEOQZRMTQRCLM-JTQLQIEISA-N 1 1 289.404 2.519 50 0 CFAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000032912066 372474717 /nfs/dbraw/zinc/47/47/17/372474717.db2.gz KNKPLDFMIFQOOA-INIZCTEOSA-N 1 1 272.392 2.567 50 0 CFAAMO C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000032611230 372450664 /nfs/dbraw/zinc/45/06/64/372450664.db2.gz IBIODXRBIPGNBP-NVXWUHKLSA-N 1 1 286.419 2.910 50 0 CFAAMO OC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1O ZINC000034785139 372514893 /nfs/dbraw/zinc/51/48/93/372514893.db2.gz JPLSIBRFAFEEDC-DOTOQJQBSA-N 1 1 283.371 2.600 50 0 CFAAMO Cc1noc(C)c1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000034996492 372527763 /nfs/dbraw/zinc/52/77/63/372527763.db2.gz FNOSFDRNKTZZIN-CQSZACIVSA-N 1 1 258.321 2.905 50 0 CFAAMO Fc1ccc(Br)cc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000036047748 372554336 /nfs/dbraw/zinc/55/43/36/372554336.db2.gz AHHBGBXRCZNNPO-NSHDSACASA-N 1 1 296.143 2.546 50 0 CFAAMO Cc1ccc(C[N@@H+](C[C@H](O)COCC(C)C)CC2CC2)o1 ZINC000036098009 372558868 /nfs/dbraw/zinc/55/88/68/372558868.db2.gz CJWSKCNPBKFAQY-INIZCTEOSA-N 1 1 295.423 2.834 50 0 CFAAMO Nc1cccc(C[N@@H+](C[C@H]2CCCCO2)C2CC2)c1 ZINC000036231155 372567545 /nfs/dbraw/zinc/56/75/45/372567545.db2.gz BJRMIMHQJVVGBB-MRXNPFEDSA-N 1 1 260.381 2.802 50 0 CFAAMO Cc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000036394368 372578077 /nfs/dbraw/zinc/57/80/77/372578077.db2.gz UJEIJCKTXAQCAR-HNNXBMFYSA-N 1 1 287.338 2.810 50 0 CFAAMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1nccs1 ZINC000037136961 372653471 /nfs/dbraw/zinc/65/34/71/372653471.db2.gz MTWGAYRZZGTTKA-SNVBAGLBSA-N 1 1 293.367 2.914 50 0 CFAAMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000037136961 372653477 /nfs/dbraw/zinc/65/34/77/372653477.db2.gz MTWGAYRZZGTTKA-SNVBAGLBSA-N 1 1 293.367 2.914 50 0 CFAAMO C[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000047406577 373092305 /nfs/dbraw/zinc/09/23/05/373092305.db2.gz JJCRAVWAOWMXBU-ZDUSSCGKSA-N 1 1 271.364 2.892 50 0 CFAAMO C[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000047406577 373092308 /nfs/dbraw/zinc/09/23/08/373092308.db2.gz JJCRAVWAOWMXBU-ZDUSSCGKSA-N 1 1 271.364 2.892 50 0 CFAAMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049096400 373269218 /nfs/dbraw/zinc/26/92/18/373269218.db2.gz NPSYQBOAIRFZQR-INIZCTEOSA-N 1 1 268.360 2.664 50 0 CFAAMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000049480050 373303767 /nfs/dbraw/zinc/30/37/67/373303767.db2.gz POMTWUFMSBQOMD-UHFFFAOYSA-N 1 1 283.803 2.615 50 0 CFAAMO OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000049595668 373313577 /nfs/dbraw/zinc/31/35/77/373313577.db2.gz IJGCKHSMZPFXIK-NSHDSACASA-N 1 1 288.160 2.545 50 0 CFAAMO OC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Br ZINC000049595668 373313583 /nfs/dbraw/zinc/31/35/83/373313583.db2.gz IJGCKHSMZPFXIK-NSHDSACASA-N 1 1 288.160 2.545 50 0 CFAAMO Cc1noc(C)c1C[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000051705849 373406789 /nfs/dbraw/zinc/40/67/89/373406789.db2.gz JMYCNOMQDUXTAC-HNNXBMFYSA-N 1 1 278.327 2.596 50 0 CFAAMO C[N@@H+](Cc1ccc(Cl)s1)CC1(CO)CCOCC1 ZINC000052199571 373442550 /nfs/dbraw/zinc/44/25/50/373442550.db2.gz PGLWYSANJDIJQL-UHFFFAOYSA-N 1 1 289.828 2.622 50 0 CFAAMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(F)c1 ZINC000054583355 373528105 /nfs/dbraw/zinc/52/81/05/373528105.db2.gz LSSMFCHPEKEPOY-ABAIWWIYSA-N 1 1 272.323 2.703 50 0 CFAAMO CNc1ncccc1C[N@@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000055053830 373537745 /nfs/dbraw/zinc/53/77/45/373537745.db2.gz SZSCCBJYDOVOBT-CQSZACIVSA-N 1 1 284.407 2.890 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC000058015410 373622976 /nfs/dbraw/zinc/62/29/76/373622976.db2.gz MPZGNOXKZSPKDZ-CQSZACIVSA-N 1 1 252.402 2.509 50 0 CFAAMO O=C(CCc1ccccc1Cl)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058183167 373631506 /nfs/dbraw/zinc/63/15/06/373631506.db2.gz IBDOVUGPEWLAKE-CYBMUJFWSA-N 1 1 292.810 2.626 50 0 CFAAMO CC[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000058341793 373648476 /nfs/dbraw/zinc/64/84/76/373648476.db2.gz VRWOMHVOTDXUAX-CQSZACIVSA-N 1 1 290.407 2.546 50 0 CFAAMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1nnc(C)o1 ZINC000058525718 373660681 /nfs/dbraw/zinc/66/06/81/373660681.db2.gz HWLUZKCNBDGWHJ-CQSZACIVSA-N 1 1 287.363 2.594 50 0 CFAAMO Cc1[nH+]ccn1Cc1noc(-c2ccc(C)cc2)n1 ZINC000064551253 373828941 /nfs/dbraw/zinc/82/89/41/373828941.db2.gz QCDRQFRYPLQYEI-UHFFFAOYSA-N 1 1 254.293 2.598 50 0 CFAAMO CCc1cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)on1 ZINC000064666991 373833527 /nfs/dbraw/zinc/83/35/27/373833527.db2.gz BUAPZKUTGCYLDY-AWEZNQCLSA-N 1 1 257.337 2.969 50 0 CFAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2cccnc2)on1 ZINC000064666991 373833529 /nfs/dbraw/zinc/83/35/29/373833529.db2.gz BUAPZKUTGCYLDY-AWEZNQCLSA-N 1 1 257.337 2.969 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000065497379 373879049 /nfs/dbraw/zinc/87/90/49/373879049.db2.gz XWIBCLLRUOHOSS-DYVFJYSZSA-N 1 1 251.395 2.526 50 0 CFAAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1ccc2c(c1)OCCO2 ZINC000065492663 373879854 /nfs/dbraw/zinc/87/98/54/373879854.db2.gz TZOPVDZVVLLTCH-OAHLLOKOSA-N 1 1 291.391 2.849 50 0 CFAAMO CC[C@@H](c1cccnc1)[N@@H+](C)C1CCN(CC)CC1 ZINC000065497436 373880453 /nfs/dbraw/zinc/88/04/53/373880453.db2.gz PACKGWOANMLRMC-INIZCTEOSA-N 1 1 261.413 2.949 50 0 CFAAMO CC[C@@H](c1cccnc1)N(C)C1CC[NH+](CC)CC1 ZINC000065497436 373880462 /nfs/dbraw/zinc/88/04/62/373880462.db2.gz PACKGWOANMLRMC-INIZCTEOSA-N 1 1 261.413 2.949 50 0 CFAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(F)(F)F ZINC000065522176 373882154 /nfs/dbraw/zinc/88/21/54/373882154.db2.gz FUGRJAUPPOPIAS-JTQLQIEISA-N 1 1 298.308 2.672 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CSc1ccccn1 ZINC000065539750 373884654 /nfs/dbraw/zinc/88/46/54/373884654.db2.gz OBJIXYNZJQQSJH-OAHLLOKOSA-N 1 1 288.416 2.667 50 0 CFAAMO C/C=C(\C)C[N@@H+](C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065533740 373884763 /nfs/dbraw/zinc/88/47/63/373884763.db2.gz FPCLNJWFVYDYSQ-QJIMOZNHSA-N 1 1 264.413 2.676 50 0 CFAAMO CCOC(=O)c1ccoc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000065550863 373887459 /nfs/dbraw/zinc/88/74/59/373887459.db2.gz YNKYYOGQLMSHOV-JTQLQIEISA-N 1 1 251.326 2.687 50 0 CFAAMO CCCc1nc(NCCc2ccccn2)cc(C)[nH+]1 ZINC000065366058 373859362 /nfs/dbraw/zinc/85/93/62/373859362.db2.gz PUOAMISMRSVYHU-UHFFFAOYSA-N 1 1 256.353 2.787 50 0 CFAAMO CCc1[nH]c(CN(C)Cc2ccc(CC)cn2)c(C)[nH+]1 ZINC000065384748 373860363 /nfs/dbraw/zinc/86/03/63/373860363.db2.gz QOXJWVDXIFQSSE-UHFFFAOYSA-N 1 1 272.396 2.870 50 0 CFAAMO COc1ccc(CN2CCC[N@@H+](CC(C)C)CC2)cc1O ZINC000065388060 373863423 /nfs/dbraw/zinc/86/34/23/373863423.db2.gz LNVYSVCXIGRWHP-UHFFFAOYSA-N 1 1 292.423 2.565 50 0 CFAAMO Cn1cc(C[N@@H+](CCc2ccccc2)C2CC2)cn1 ZINC000065422644 373868454 /nfs/dbraw/zinc/86/84/54/373868454.db2.gz HUCLMRXEKYPGDD-UHFFFAOYSA-N 1 1 255.365 2.627 50 0 CFAAMO CCCc1ccc(C[NH+]2CCN(c3ccccn3)CC2)o1 ZINC000065455289 373873317 /nfs/dbraw/zinc/87/33/17/373873317.db2.gz FEWCJWAKIGRCOE-UHFFFAOYSA-N 1 1 285.391 2.949 50 0 CFAAMO Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CC(C)C ZINC000065961682 373907443 /nfs/dbraw/zinc/90/74/43/373907443.db2.gz YOSSTSFTHMUXQW-AWEZNQCLSA-N 1 1 262.397 2.588 50 0 CFAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)COc1ccccc1Cl ZINC000066137523 373914135 /nfs/dbraw/zinc/91/41/35/373914135.db2.gz ZQAJZNFTNHLBEN-LBPRGKRZSA-N 1 1 298.814 2.565 50 0 CFAAMO Cc1ccccc1CCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000067725853 373996961 /nfs/dbraw/zinc/99/69/61/373996961.db2.gz OLTVASPHEKQQNK-INIZCTEOSA-N 1 1 288.435 2.776 50 0 CFAAMO CCC[C@@H](C)c1nccn1CCC[NH+]1CCOCC1 ZINC000067847785 374009744 /nfs/dbraw/zinc/00/97/44/374009744.db2.gz ZOOZYSXICLOXBO-CQSZACIVSA-N 1 1 265.401 2.509 50 0 CFAAMO CC(C)c1ccc2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)[nH]c2c1 ZINC000067885482 374013012 /nfs/dbraw/zinc/01/30/12/374013012.db2.gz IZVGNIZEQHZNPB-CYBMUJFWSA-N 1 1 299.418 2.973 50 0 CFAAMO C[N@H+]1CCC[C@H]1CCn1ccnc1-c1nc2ccccc2[nH]1 ZINC000067895451 374013850 /nfs/dbraw/zinc/01/38/50/374013850.db2.gz BNMKOKPWZDHJGC-ZDUSSCGKSA-N 1 1 295.390 2.911 50 0 CFAAMO Cc1ccc2nc(C[NH2+][C@@H](C)Cc3cnccn3)[nH]c2c1C ZINC000067473357 373981821 /nfs/dbraw/zinc/98/18/21/373981821.db2.gz XVHBRRRISHTDAB-LBPRGKRZSA-N 1 1 295.390 2.691 50 0 CFAAMO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000067675415 373990057 /nfs/dbraw/zinc/99/00/57/373990057.db2.gz RKUGZIVQBXNURF-CQSZACIVSA-N 1 1 286.375 2.915 50 0 CFAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](O)C1 ZINC000067675415 373990062 /nfs/dbraw/zinc/99/00/62/373990062.db2.gz RKUGZIVQBXNURF-CQSZACIVSA-N 1 1 286.375 2.915 50 0 CFAAMO CC[N@H+](Cc1ccc2cccc(O)c2n1)C[C@H]1CCCO1 ZINC000067654533 373990315 /nfs/dbraw/zinc/99/03/15/373990315.db2.gz KULYFECDHLWZSC-OAHLLOKOSA-N 1 1 286.375 2.941 50 0 CFAAMO C([C@H]1CCC[N@H+]1C[C@@H]1CCCCO1)N1CCCCC1 ZINC000069078360 374045808 /nfs/dbraw/zinc/04/58/08/374045808.db2.gz JDBPKYNBHDYTNL-CVEARBPZSA-N 1 1 266.429 2.506 50 0 CFAAMO C([C@H]1CCCN1C[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC000069078360 374045813 /nfs/dbraw/zinc/04/58/13/374045813.db2.gz JDBPKYNBHDYTNL-CVEARBPZSA-N 1 1 266.429 2.506 50 0 CFAAMO CC(C)C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000069413907 374059984 /nfs/dbraw/zinc/05/99/84/374059984.db2.gz SIIIHXXJGQNHGG-UHFFFAOYSA-N 1 1 278.371 2.516 50 0 CFAAMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000069413907 374059989 /nfs/dbraw/zinc/05/99/89/374059989.db2.gz SIIIHXXJGQNHGG-UHFFFAOYSA-N 1 1 278.371 2.516 50 0 CFAAMO Cc1nnc(C[NH+]2CCC(c3ccccc3)CC2)o1 ZINC000069484633 374065210 /nfs/dbraw/zinc/06/52/10/374065210.db2.gz SYXQBDSIHVXRDG-UHFFFAOYSA-N 1 1 257.337 2.758 50 0 CFAAMO Cc1cccc2nc(C[N@H+]3CCC[C@H]3Cn3cccn3)cn21 ZINC000069653637 374082627 /nfs/dbraw/zinc/08/26/27/374082627.db2.gz FFROQXMYIAJEJK-INIZCTEOSA-N 1 1 295.390 2.504 50 0 CFAAMO CC[N@@H+](C)[C@H](C(=O)NCCc1ccco1)c1ccccc1 ZINC000069487898 374067436 /nfs/dbraw/zinc/06/74/36/374067436.db2.gz VPMDIMDRXIDHBG-INIZCTEOSA-N 1 1 286.375 2.631 50 0 CFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cnc(C)s2)n1 ZINC000070004163 374115011 /nfs/dbraw/zinc/11/50/11/374115011.db2.gz VZQWMMPZXLMBFY-AWEZNQCLSA-N 1 1 290.436 2.929 50 0 CFAAMO Cc1ccsc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069667709 374085671 /nfs/dbraw/zinc/08/56/71/374085671.db2.gz IOVKTXOJMHETEC-OLZOCXBDSA-N 1 1 278.421 2.755 50 0 CFAAMO CC[C@H](C(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1 ZINC000069779530 374096372 /nfs/dbraw/zinc/09/63/72/374096372.db2.gz OSPMOSATSIHIDO-INIZCTEOSA-N 1 1 274.408 2.734 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2nc(C)c(C)o2)c1 ZINC000069815329 374100967 /nfs/dbraw/zinc/10/09/67/374100967.db2.gz VXCPZPXKGXRRTB-HNNXBMFYSA-N 1 1 288.395 2.851 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2Cc2nc(C)c(C)o2)c1 ZINC000069815329 374100975 /nfs/dbraw/zinc/10/09/75/374100975.db2.gz VXCPZPXKGXRRTB-HNNXBMFYSA-N 1 1 288.395 2.851 50 0 CFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2Cc2cc(C)no2)c1 ZINC000069816211 374103096 /nfs/dbraw/zinc/10/30/96/374103096.db2.gz LIHTYJRZDILDFG-AWEZNQCLSA-N 1 1 274.368 2.543 50 0 CFAAMO CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071762162 374221256 /nfs/dbraw/zinc/22/12/56/374221256.db2.gz DDXOJWIBQYMJKG-KRWDZBQOSA-N 1 1 292.398 2.905 50 0 CFAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CC[C@@H](O)C1 ZINC000072428582 374251110 /nfs/dbraw/zinc/25/11/10/374251110.db2.gz APNWBDJDQGWVFD-LLVKDONJSA-N 1 1 292.766 2.870 50 0 CFAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CC[C@@H](O)C1 ZINC000072428582 374251120 /nfs/dbraw/zinc/25/11/20/374251120.db2.gz APNWBDJDQGWVFD-LLVKDONJSA-N 1 1 292.766 2.870 50 0 CFAAMO C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000072273296 374239780 /nfs/dbraw/zinc/23/97/80/374239780.db2.gz XDRCHXIBLMXJAU-ILXRZTDVSA-N 1 1 266.429 2.661 50 0 CFAAMO CC[C@](CO)([NH2+]Cc1csc(C)n1)c1ccccc1 ZINC000072290829 374241768 /nfs/dbraw/zinc/24/17/68/374241768.db2.gz CXLNRXJTCVCMNX-OAHLLOKOSA-N 1 1 276.405 2.839 50 0 CFAAMO CC[C@H]1C[N@H+](Cc2nc(N)c3ccccc3n2)CCS1 ZINC000072862430 374295361 /nfs/dbraw/zinc/29/53/61/374295361.db2.gz HZPLAHRQEVODTJ-NSHDSACASA-N 1 1 288.420 2.539 50 0 CFAAMO CC[C@H]1C[N@@H+](Cc2nc(N)c3ccccc3n2)CCS1 ZINC000072862430 374295371 /nfs/dbraw/zinc/29/53/71/374295371.db2.gz HZPLAHRQEVODTJ-NSHDSACASA-N 1 1 288.420 2.539 50 0 CFAAMO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000072930121 374304435 /nfs/dbraw/zinc/30/44/35/374304435.db2.gz ONSNTHVGRQFXQP-CABCVRRESA-N 1 1 273.380 2.695 50 0 CFAAMO C[N@@H+](Cc1ccccn1)[C@H](CCO)c1ccccc1 ZINC000075897923 374511106 /nfs/dbraw/zinc/51/11/06/374511106.db2.gz NWVQPJOKTXCWAS-MRXNPFEDSA-N 1 1 256.349 2.637 50 0 CFAAMO Cc1nc(C)c(C)c(N(C)C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000077439851 374561653 /nfs/dbraw/zinc/56/16/53/374561653.db2.gz WMVWHXLZLOBPKI-INIZCTEOSA-N 1 1 290.455 2.958 50 0 CFAAMO CCc1cnc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)o1 ZINC000078901116 374574143 /nfs/dbraw/zinc/57/41/43/374574143.db2.gz KFXCHCLFOAPJRO-LBPRGKRZSA-N 1 1 274.368 2.648 50 0 CFAAMO CCc1cnc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)o1 ZINC000078901116 374574150 /nfs/dbraw/zinc/57/41/50/374574150.db2.gz KFXCHCLFOAPJRO-LBPRGKRZSA-N 1 1 274.368 2.648 50 0 CFAAMO CCc1cnc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)o1 ZINC000078901116 374574158 /nfs/dbraw/zinc/57/41/58/374574158.db2.gz KFXCHCLFOAPJRO-LBPRGKRZSA-N 1 1 274.368 2.648 50 0 CFAAMO CCc1cnc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)o1 ZINC000078901116 374574169 /nfs/dbraw/zinc/57/41/69/374574169.db2.gz KFXCHCLFOAPJRO-LBPRGKRZSA-N 1 1 274.368 2.648 50 0 CFAAMO C[C@H]1C[C@@H](NCc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338364 374650962 /nfs/dbraw/zinc/65/09/62/374650962.db2.gz MZSLYYFQKYPXIQ-HOCLYGCPSA-N 1 1 284.407 2.552 50 0 CFAAMO Cc1ccsc1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000082087534 374726783 /nfs/dbraw/zinc/72/67/83/374726783.db2.gz FZECXSKRGCLEBJ-GFCCVEGCSA-N 1 1 278.421 2.755 50 0 CFAAMO CCC1(CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC000084319867 374774573 /nfs/dbraw/zinc/77/45/73/374774573.db2.gz WWOHWCYDRRBPOU-AWEZNQCLSA-N 1 1 281.444 2.596 50 0 CFAAMO C[C@@H]1CCC[C@H](CC[NH+]2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000084689596 374787269 /nfs/dbraw/zinc/78/72/69/374787269.db2.gz VZXLVQYOJMTAHK-KURKYZTESA-N 1 1 294.483 2.857 50 0 CFAAMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccco1 ZINC000089594991 374926198 /nfs/dbraw/zinc/92/61/98/374926198.db2.gz KOHONDCXNJRKJS-HNNXBMFYSA-N 1 1 292.423 2.965 50 0 CFAAMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccco1 ZINC000089594993 374926338 /nfs/dbraw/zinc/92/63/38/374926338.db2.gz KOHONDCXNJRKJS-OAHLLOKOSA-N 1 1 292.423 2.965 50 0 CFAAMO Clc1c[nH+]ccc1NCc1ccc(-n2ccnc2)nc1 ZINC000089794248 374953129 /nfs/dbraw/zinc/95/31/29/374953129.db2.gz NJTAXRSUJAZLBB-UHFFFAOYSA-N 1 1 285.738 2.928 50 0 CFAAMO O=C(CNc1cc[nH+]c2ccc(Cl)cc12)NC1CC1 ZINC000089807132 374956545 /nfs/dbraw/zinc/95/65/45/374956545.db2.gz SCPDRHOGFYUZKQ-UHFFFAOYSA-N 1 1 275.739 2.579 50 0 CFAAMO O=C(OCC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089834928 374959284 /nfs/dbraw/zinc/95/92/84/374959284.db2.gz NZTVOOAMCGDVFV-HNNXBMFYSA-N 1 1 259.349 2.604 50 0 CFAAMO O=C(OCC1CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089834928 374959290 /nfs/dbraw/zinc/95/92/90/374959290.db2.gz NZTVOOAMCGDVFV-HNNXBMFYSA-N 1 1 259.349 2.604 50 0 CFAAMO CC(C)n1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)n1 ZINC000089937101 374972994 /nfs/dbraw/zinc/97/29/94/374972994.db2.gz KPZHWEXBNMOJTR-VXGBXAGGSA-N 1 1 253.415 2.790 50 0 CFAAMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000092660927 375138043 /nfs/dbraw/zinc/13/80/43/375138043.db2.gz JQAKBPLXMVXSCS-OAHLLOKOSA-N 1 1 271.364 2.625 50 0 CFAAMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000092708664 375141033 /nfs/dbraw/zinc/14/10/33/375141033.db2.gz QSYIKVPMKKAFBC-GFCCVEGCSA-N 1 1 266.410 2.629 50 0 CFAAMO CC[N@H+](Cc1ccoc1)Cc1cnc2nc(C)cc(C)n12 ZINC000092935880 375167291 /nfs/dbraw/zinc/16/72/91/375167291.db2.gz ZKZKUHIASYZMIA-UHFFFAOYSA-N 1 1 284.363 2.961 50 0 CFAAMO CC[N@@H+](Cc1ccoc1)Cc1cnc2nc(C)cc(C)n12 ZINC000092935880 375167295 /nfs/dbraw/zinc/16/72/95/375167295.db2.gz ZKZKUHIASYZMIA-UHFFFAOYSA-N 1 1 284.363 2.961 50 0 CFAAMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)C2CCS(=O)CC2)o1 ZINC000093659503 375288251 /nfs/dbraw/zinc/28/82/51/375288251.db2.gz BWHKKVQBIIFZNO-KLSWJBCKSA-N 1 1 281.421 2.746 50 0 CFAAMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2CCS(=O)CC2)o1 ZINC000093659501 375289756 /nfs/dbraw/zinc/28/97/56/375289756.db2.gz BWHKKVQBIIFZNO-AKIUGDJFSA-N 1 1 281.421 2.746 50 0 CFAAMO CC(C)[N@H+](Cc1cc(C(N)=O)cs1)C[C@H]1C[C@@H]1C ZINC000093661801 375292219 /nfs/dbraw/zinc/29/22/19/375292219.db2.gz XSTWVHVXNNCXSE-WDEREUQCSA-N 1 1 266.410 2.713 50 0 CFAAMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1N(C)C ZINC000093941958 375332150 /nfs/dbraw/zinc/33/21/50/375332150.db2.gz MHWIXIOPYFPLMO-SUMWQHHRSA-N 1 1 297.402 2.630 50 0 CFAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)cc1 ZINC000095464361 375458511 /nfs/dbraw/zinc/45/85/11/375458511.db2.gz INLHTZWBDWPFNT-INIZCTEOSA-N 1 1 271.364 2.766 50 0 CFAAMO Cc1ccnc(N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)n1 ZINC000095506587 375461049 /nfs/dbraw/zinc/46/10/49/375461049.db2.gz DTQRHSVTRVWBEB-CQSZACIVSA-N 1 1 285.395 2.946 50 0 CFAAMO COCCC[N@@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095498435 375461499 /nfs/dbraw/zinc/46/14/99/375461499.db2.gz FDXXMTACKXYOAR-AWEZNQCLSA-N 1 1 263.381 2.596 50 0 CFAAMO COc1cc(C)cc(-c2c[nH+]c(N)cc2C)c1OC ZINC000096165785 375473137 /nfs/dbraw/zinc/47/31/37/375473137.db2.gz UEGKODRWLMEKKW-UHFFFAOYSA-N 1 1 258.321 2.965 50 0 CFAAMO Cc1cnn(-c2ccc(N[C@@H]3C[N@H+](C)C[C@@H]3C)cc2F)c1 ZINC000095971960 375465089 /nfs/dbraw/zinc/46/50/89/375465089.db2.gz FGGABPFQXWWFAE-SWLSCSKDSA-N 1 1 288.370 2.682 50 0 CFAAMO COc1c(Cl)cc(Cl)cc1C[NH2+]CCN(C)C ZINC000095212884 375415933 /nfs/dbraw/zinc/41/59/33/375415933.db2.gz HQIXAVAXQGGIPG-UHFFFAOYSA-N 1 1 277.195 2.653 50 0 CFAAMO CCc1c[nH+]c(N)nc1N[C@@H](CC)c1cccnc1 ZINC000095353603 375417463 /nfs/dbraw/zinc/41/74/63/375417463.db2.gz ABBDVXSIXLUXJT-LBPRGKRZSA-N 1 1 257.341 2.579 50 0 CFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccc(O)c1)C2 ZINC000095357076 375419414 /nfs/dbraw/zinc/41/94/14/375419414.db2.gz SPPTVNRTVZECRB-JKSUJKDBSA-N 1 1 274.408 2.698 50 0 CFAAMO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(O)c1)C2 ZINC000095357076 375419417 /nfs/dbraw/zinc/41/94/17/375419417.db2.gz SPPTVNRTVZECRB-JKSUJKDBSA-N 1 1 274.408 2.698 50 0 CFAAMO CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(O)c1)C2 ZINC000095357076 375419420 /nfs/dbraw/zinc/41/94/20/375419420.db2.gz SPPTVNRTVZECRB-JKSUJKDBSA-N 1 1 274.408 2.698 50 0 CFAAMO CCCC1(NC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095378650 375425454 /nfs/dbraw/zinc/42/54/54/375425454.db2.gz GIOSHLXFQFPZIE-AWEZNQCLSA-N 1 1 278.371 2.877 50 0 CFAAMO C[N@@H+](CCCO)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000095395803 375430561 /nfs/dbraw/zinc/43/05/61/375430561.db2.gz SZCKGDYJBIZFSG-MRXNPFEDSA-N 1 1 274.339 2.624 50 0 CFAAMO CCCc1nnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)s1 ZINC000095418473 375439114 /nfs/dbraw/zinc/43/91/14/375439114.db2.gz LRNNHWXCRLQNPP-OLZOCXBDSA-N 1 1 294.468 2.942 50 0 CFAAMO COc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000095428240 375443211 /nfs/dbraw/zinc/44/32/11/375443211.db2.gz CGMWEOFMOUMJDL-QGZVFWFLSA-N 1 1 284.359 2.744 50 0 CFAAMO Cn1cc(C[N@@H+](C)CCc2ccncc2)c(C(F)(F)F)n1 ZINC000095432633 375446881 /nfs/dbraw/zinc/44/68/81/375446881.db2.gz JSKYZTOCVYJDMW-UHFFFAOYSA-N 1 1 298.312 2.508 50 0 CFAAMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2sccc2C)C[C@@H]1C ZINC000095451848 375455040 /nfs/dbraw/zinc/45/50/40/375455040.db2.gz DRCNVAHSWYGGNJ-NWDGAFQWSA-N 1 1 266.410 2.611 50 0 CFAAMO CC[N@H+]1C[C@@H](C)N(C(=O)c2sccc2C)C[C@@H]1C ZINC000095451848 375455044 /nfs/dbraw/zinc/45/50/44/375455044.db2.gz DRCNVAHSWYGGNJ-NWDGAFQWSA-N 1 1 266.410 2.611 50 0 CFAAMO CC[N@@H+]1C[C@H](C)N(C(=O)c2sccc2C)C[C@@H]1C ZINC000095451847 375455192 /nfs/dbraw/zinc/45/51/92/375455192.db2.gz DRCNVAHSWYGGNJ-RYUDHWBXSA-N 1 1 266.410 2.611 50 0 CFAAMO CC[N@H+]1C[C@H](C)N(C(=O)c2sccc2C)C[C@@H]1C ZINC000095451847 375455195 /nfs/dbraw/zinc/45/51/95/375455195.db2.gz DRCNVAHSWYGGNJ-RYUDHWBXSA-N 1 1 266.410 2.611 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC000095451841 375455403 /nfs/dbraw/zinc/45/54/03/375455403.db2.gz XIXCPLCKXQOZPZ-XQQFMLRXSA-N 1 1 293.411 2.743 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC000095451841 375455410 /nfs/dbraw/zinc/45/54/10/375455410.db2.gz XIXCPLCKXQOZPZ-XQQFMLRXSA-N 1 1 293.411 2.743 50 0 CFAAMO CC(C)[C@H](C)[N@@H+](Cc1cnc2ncccn12)C1CC1 ZINC000095453804 375455568 /nfs/dbraw/zinc/45/55/68/375455568.db2.gz YFVXAQLOZWCZST-LBPRGKRZSA-N 1 1 258.369 2.738 50 0 CFAAMO Cc1ncccc1CN1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000097143341 375530438 /nfs/dbraw/zinc/53/04/38/375530438.db2.gz IPQICQRSWFUGBK-MRXNPFEDSA-N 1 1 296.418 2.664 50 0 CFAAMO CC(C)c1nn(C)cc1C[NH2+]Cc1cn2ccsc2n1 ZINC000097160101 375533576 /nfs/dbraw/zinc/53/35/76/375533576.db2.gz FHSIWIFBXKSVOT-UHFFFAOYSA-N 1 1 289.408 2.543 50 0 CFAAMO Cc1ccc(C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)o1 ZINC000096212209 375477155 /nfs/dbraw/zinc/47/71/55/375477155.db2.gz NNSTWPCZXAVEIR-HNNXBMFYSA-N 1 1 281.396 2.586 50 0 CFAAMO CCOCC[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000097051128 375504312 /nfs/dbraw/zinc/50/43/12/375504312.db2.gz VXVXFZBXRBBVJJ-UHFFFAOYSA-N 1 1 295.333 2.823 50 0 CFAAMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000097236632 375544119 /nfs/dbraw/zinc/54/41/19/375544119.db2.gz CZTAHVCXMJRUNW-LBPRGKRZSA-N 1 1 282.771 2.859 50 0 CFAAMO CC[N@@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000097099762 375516961 /nfs/dbraw/zinc/51/69/61/375516961.db2.gz MCIQYWBHPXMVKB-UHFFFAOYSA-N 1 1 268.158 2.777 50 0 CFAAMO CC[N@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000097099762 375516969 /nfs/dbraw/zinc/51/69/69/375516969.db2.gz MCIQYWBHPXMVKB-UHFFFAOYSA-N 1 1 268.158 2.777 50 0 CFAAMO CC[N@@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000097099762 375516974 /nfs/dbraw/zinc/51/69/74/375516974.db2.gz MCIQYWBHPXMVKB-UHFFFAOYSA-N 1 1 268.158 2.777 50 0 CFAAMO CCc1noc([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)n1 ZINC000097100401 375517050 /nfs/dbraw/zinc/51/70/50/375517050.db2.gz VZCRGDLYQLSMKE-UWVGGRQHSA-N 1 1 267.373 2.629 50 0 CFAAMO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000097101729 375517900 /nfs/dbraw/zinc/51/79/00/375517900.db2.gz VPYATQONFUMORV-UWVGGRQHSA-N 1 1 288.317 2.893 50 0 CFAAMO CC(=O)N1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000097103889 375518643 /nfs/dbraw/zinc/51/86/43/375518643.db2.gz QDFITXPNFXMXLU-GFCCVEGCSA-N 1 1 280.799 2.608 50 0 CFAAMO CCc1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)o1 ZINC000097106934 375519765 /nfs/dbraw/zinc/51/97/65/375519765.db2.gz OEYJKRKRZBEQLP-MRXNPFEDSA-N 1 1 299.374 2.522 50 0 CFAAMO CCc1ccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)o1 ZINC000097106935 375520000 /nfs/dbraw/zinc/52/00/00/375520000.db2.gz OEYJKRKRZBEQLP-INIZCTEOSA-N 1 1 299.374 2.522 50 0 CFAAMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccccn2)n1 ZINC000097236810 375545062 /nfs/dbraw/zinc/54/50/62/375545062.db2.gz JFROCVSSJOJDLZ-GFCCVEGCSA-N 1 1 257.337 2.684 50 0 CFAAMO Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cc(C2CC2)[nH]n1 ZINC000097823353 375585752 /nfs/dbraw/zinc/58/57/52/375585752.db2.gz BMSZJQNBBARPNX-NSHDSACASA-N 1 1 273.384 2.820 50 0 CFAAMO Cc1cnc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)o1 ZINC000097378914 375556858 /nfs/dbraw/zinc/55/68/58/375556858.db2.gz ZYNUHQGWGXEGOT-CYBMUJFWSA-N 1 1 291.420 2.923 50 0 CFAAMO CC(C)n1nc(-c2ccccc2)cc1NC(=O)C[NH+](C)C ZINC000135110539 378085184 /nfs/dbraw/zinc/08/51/84/378085184.db2.gz DVWBKXMUOOMEDC-UHFFFAOYSA-N 1 1 286.379 2.631 50 0 CFAAMO Cc1cc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)on1 ZINC000172257260 379526981 /nfs/dbraw/zinc/52/69/81/379526981.db2.gz RQODTXMHPSKAKO-KRWDZBQOSA-N 1 1 286.375 2.855 50 0 CFAAMO c1ccc(OCC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000368499911 381046554 /nfs/dbraw/zinc/04/65/54/381046554.db2.gz ULADMXXPVHNLKY-INIZCTEOSA-N 1 1 261.365 2.568 50 0 CFAAMO CC(C)OCCCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000182460824 381091420 /nfs/dbraw/zinc/09/14/20/381091420.db2.gz WRFRQXLUGSSJQJ-UHFFFAOYSA-N 1 1 296.455 2.669 50 0 CFAAMO OCC[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000342040096 381207962 /nfs/dbraw/zinc/20/79/62/381207962.db2.gz BNFHGFXSCTXDDD-KRWDZBQOSA-N 1 1 299.418 2.999 50 0 CFAAMO CC[N@H+](Cc1cc2c(cc(C)cc2C)[nH]1)C[C@H](C)O ZINC000348706976 381676220 /nfs/dbraw/zinc/67/62/20/381676220.db2.gz INSNQIPBLCIYDN-ZDUSSCGKSA-N 1 1 260.381 2.987 50 0 CFAAMO Cc1ccccc1CC1(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000299757658 382042357 /nfs/dbraw/zinc/04/23/57/382042357.db2.gz LXRQTIANLBYIMC-MRXNPFEDSA-N 1 1 286.419 2.671 50 0 CFAAMO Cc1nc(CN2CCC[N@H+](C3CCCCC3)CC2)[nH]c1C ZINC000299777531 382045707 /nfs/dbraw/zinc/04/57/07/382045707.db2.gz QNOQJEALXDDNJU-UHFFFAOYSA-N 1 1 290.455 2.867 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1 ZINC000299773018 382047060 /nfs/dbraw/zinc/04/70/60/382047060.db2.gz BUHVBPILUANGQG-WNKDZCFJSA-N 1 1 284.403 2.524 50 0 CFAAMO CN(CC[N@@H+](C)C1CCCC1)C[C@H](O)c1ccccc1 ZINC000299786578 382047741 /nfs/dbraw/zinc/04/77/41/382047741.db2.gz VQTCQHDQYSMQJL-KRWDZBQOSA-N 1 1 276.424 2.526 50 0 CFAAMO CO[C@]12CC[N@@H+](Cc3sccc3C)[C@H]1C[C@@H](O)CC2 ZINC000299800630 382049610 /nfs/dbraw/zinc/04/96/10/382049610.db2.gz HXQPJGZLFUMCHD-AEGPPILISA-N 1 1 281.421 2.561 50 0 CFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCCOC1CCCC1 ZINC000352628123 382423675 /nfs/dbraw/zinc/42/36/75/382423675.db2.gz JEVSOFAKCVOXGE-HNNXBMFYSA-N 1 1 296.455 2.716 50 0 CFAAMO Fc1ccc(F)c(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188409592 382409672 /nfs/dbraw/zinc/40/96/72/382409672.db2.gz XGOYDKMWKBJYOC-AWEZNQCLSA-N 1 1 277.318 2.826 50 0 CFAAMO CCC1(CC)CCC[N@@H+](Cc2nnc(C)n2C)CC1 ZINC000190412838 382666773 /nfs/dbraw/zinc/66/67/73/382666773.db2.gz SGLOWFUMYBFVPA-UHFFFAOYSA-N 1 1 264.417 2.916 50 0 CFAAMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccnc(N)c2)cc1 ZINC000193457888 382720013 /nfs/dbraw/zinc/72/00/13/382720013.db2.gz WKVOZTQVSXSPIU-CQSZACIVSA-N 1 1 299.418 2.983 50 0 CFAAMO CCCn1ccnc1C[N@@H+](C)C1CCSCC1 ZINC000215039430 382777686 /nfs/dbraw/zinc/77/76/86/382777686.db2.gz BWAZQISKMDYICF-UHFFFAOYSA-N 1 1 253.415 2.621 50 0 CFAAMO C[N@@H+](Cc1nc(C2CC2)no1)C[C@H]1CCOC(C)(C)C1 ZINC000215317770 382778777 /nfs/dbraw/zinc/77/87/77/382778777.db2.gz MNQDGWIHAMFDKB-NSHDSACASA-N 1 1 279.384 2.584 50 0 CFAAMO C[N@H+](Cc1nc(C2CC2)no1)C[C@H]1CCOC(C)(C)C1 ZINC000215317770 382778778 /nfs/dbraw/zinc/77/87/78/382778778.db2.gz MNQDGWIHAMFDKB-NSHDSACASA-N 1 1 279.384 2.584 50 0 CFAAMO C[C@H](c1ccncn1)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215523914 382778894 /nfs/dbraw/zinc/77/88/94/382778894.db2.gz MAFKZCANCMGGFU-LLVKDONJSA-N 1 1 283.335 2.653 50 0 CFAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215523914 382778897 /nfs/dbraw/zinc/77/88/97/382778897.db2.gz MAFKZCANCMGGFU-LLVKDONJSA-N 1 1 283.335 2.653 50 0 CFAAMO CO[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000215628388 382779747 /nfs/dbraw/zinc/77/97/47/382779747.db2.gz OLYYGMRTIVBEKS-GOSISDBHSA-N 1 1 298.386 2.881 50 0 CFAAMO COc1ccc(/C=C/C[N@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000215778385 382780418 /nfs/dbraw/zinc/78/04/18/382780418.db2.gz NGPZJELOJSIUEV-SNAWJCMRSA-N 1 1 271.364 2.872 50 0 CFAAMO COc1ccc(/C=C/C[N@@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000215778385 382780421 /nfs/dbraw/zinc/78/04/21/382780421.db2.gz NGPZJELOJSIUEV-SNAWJCMRSA-N 1 1 271.364 2.872 50 0 CFAAMO CS[C@@H](C)CC[N@@H+](C)CCn1nc(C)cc1C ZINC000215959321 382781142 /nfs/dbraw/zinc/78/11/42/382781142.db2.gz LVJYVQGHHHTPTQ-ZDUSSCGKSA-N 1 1 255.431 2.573 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000215917193 382781271 /nfs/dbraw/zinc/78/12/71/382781271.db2.gz OEGFGWLRVIVWCT-HNNXBMFYSA-N 1 1 285.334 2.710 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000215917193 382781272 /nfs/dbraw/zinc/78/12/72/382781272.db2.gz OEGFGWLRVIVWCT-HNNXBMFYSA-N 1 1 285.334 2.710 50 0 CFAAMO C[C@@]1(C(N)=O)CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000216179927 382782145 /nfs/dbraw/zinc/78/21/45/382782145.db2.gz JNFQBCNPRBZVSE-MRXNPFEDSA-N 1 1 288.416 2.989 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)CC2(CO)CCCC2)cs1 ZINC000216117176 382782198 /nfs/dbraw/zinc/78/21/98/382782198.db2.gz QLGWDTUJXIYBPA-UHFFFAOYSA-N 1 1 281.421 2.935 50 0 CFAAMO CC(=O)c1cc(C[N@H+](C)CC2(CO)CCCC2)cs1 ZINC000216117176 382782200 /nfs/dbraw/zinc/78/22/00/382782200.db2.gz QLGWDTUJXIYBPA-UHFFFAOYSA-N 1 1 281.421 2.935 50 0 CFAAMO C[N@@H+](CCN1CCCCC1=O)Cc1cccc2cc[nH]c21 ZINC000216289794 382782573 /nfs/dbraw/zinc/78/25/73/382782573.db2.gz AZJADJVSUGHKDN-UHFFFAOYSA-N 1 1 285.391 2.612 50 0 CFAAMO Cc1noc(C)c1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000216199702 382782776 /nfs/dbraw/zinc/78/27/76/382782776.db2.gz KNZZFOFSAWKGGX-UHFFFAOYSA-N 1 1 282.347 2.767 50 0 CFAAMO C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000577126143 382848773 /nfs/dbraw/zinc/84/87/73/382848773.db2.gz INVMYADMEPOTCW-BMFVWJLCSA-N 1 1 265.422 2.789 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000221699366 382799466 /nfs/dbraw/zinc/79/94/66/382799466.db2.gz COQNRXLDRBOVKO-IFCKCIONSA-N 1 1 272.392 2.690 50 0 CFAAMO CCn1ccc(C[N@H+](C)Cc2cccc(OC)n2)c1 ZINC000225601491 382818991 /nfs/dbraw/zinc/81/89/91/382818991.db2.gz VMQNRUORVDKKLG-UHFFFAOYSA-N 1 1 259.353 2.544 50 0 CFAAMO CCn1ccc(C[N@@H+](C)Cc2cccc(OC)n2)c1 ZINC000225601491 382818993 /nfs/dbraw/zinc/81/89/93/382818993.db2.gz VMQNRUORVDKKLG-UHFFFAOYSA-N 1 1 259.353 2.544 50 0 CFAAMO CS[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000229405048 382851586 /nfs/dbraw/zinc/85/15/86/382851586.db2.gz ZPBLWIULTWRPQZ-GZBFAFLISA-N 1 1 292.448 2.690 50 0 CFAAMO Cc1ccnc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000227115185 382833830 /nfs/dbraw/zinc/83/38/30/382833830.db2.gz JQWKXKGWVNWQGV-HZPDHXFCSA-N 1 1 295.386 2.674 50 0 CFAAMO Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000227154539 382834416 /nfs/dbraw/zinc/83/44/16/382834416.db2.gz JRAKQEOYQIUSKM-CVEARBPZSA-N 1 1 295.386 2.674 50 0 CFAAMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720213 382853262 /nfs/dbraw/zinc/85/32/62/382853262.db2.gz JQVZWPFQFLTYMJ-UKRRQHHQSA-N 1 1 274.408 2.779 50 0 CFAAMO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Cl)c1ncn(C)n1 ZINC000421843621 382943248 /nfs/dbraw/zinc/94/32/48/382943248.db2.gz QYGBLYSFHYMEFA-VHSXEESVSA-N 1 1 296.777 2.889 50 0 CFAAMO C[C@@H]1C[N@H+](CCSCc2ccccc2)CC[S@](=O)C1 ZINC000241121832 382982375 /nfs/dbraw/zinc/98/23/75/382982375.db2.gz JEELDIIOOVRKBY-KUHUBIRLSA-N 1 1 297.489 2.620 50 0 CFAAMO C[C@@H]1C[N@@H+](CCSCc2ccccc2)CC[S@](=O)C1 ZINC000241121832 382982378 /nfs/dbraw/zinc/98/23/78/382982378.db2.gz JEELDIIOOVRKBY-KUHUBIRLSA-N 1 1 297.489 2.620 50 0 CFAAMO O[C@@H](CN1CCC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000241588397 382983947 /nfs/dbraw/zinc/98/39/47/382983947.db2.gz PCVVMXQGOFVSSV-HOTGVXAUSA-N 1 1 294.826 2.544 50 0 CFAAMO COC(=O)C1(C[N@@H+](Cc2ccccc2OC)C2CC2)CC1 ZINC000242164707 382984867 /nfs/dbraw/zinc/98/48/67/382984867.db2.gz WXEATDKXGZJNHE-UHFFFAOYSA-N 1 1 289.375 2.613 50 0 CFAAMO CC(C)c1noc(C[N@H+](C)CCC[C@@H]2CCCO2)n1 ZINC000243901597 382988191 /nfs/dbraw/zinc/98/81/91/382988191.db2.gz BDEFOXBAPZPWJM-GFCCVEGCSA-N 1 1 267.373 2.584 50 0 CFAAMO CC(C)c1noc(C[N@@H+](C)CCC[C@@H]2CCCO2)n1 ZINC000243901597 382988195 /nfs/dbraw/zinc/98/81/95/382988195.db2.gz BDEFOXBAPZPWJM-GFCCVEGCSA-N 1 1 267.373 2.584 50 0 CFAAMO CCC[N@@H+](CCO)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244700960 382991642 /nfs/dbraw/zinc/99/16/42/382991642.db2.gz JXGGXMVYDIMXED-UHFFFAOYSA-N 1 1 299.370 2.715 50 0 CFAAMO C[N@H+](CCC[C@H]1CCCO1)Cc1nccn1C1CC1 ZINC000244796177 382992696 /nfs/dbraw/zinc/99/26/96/382992696.db2.gz RUKFIKZYGHMPIN-AWEZNQCLSA-N 1 1 263.385 2.609 50 0 CFAAMO C[N@@H+](CCC[C@H]1CCCO1)Cc1nccn1C1CC1 ZINC000244796177 382992701 /nfs/dbraw/zinc/99/27/01/382992701.db2.gz RUKFIKZYGHMPIN-AWEZNQCLSA-N 1 1 263.385 2.609 50 0 CFAAMO CC[N@@H+]1CCCC[C@@H]1CNCc1ccnn1-c1ccccc1 ZINC000447936634 383031137 /nfs/dbraw/zinc/03/11/37/383031137.db2.gz QQEDWIBTDFKGBZ-QGZVFWFLSA-N 1 1 298.434 2.836 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1CNCc1ccnn1-c1ccccc1 ZINC000447936634 383031140 /nfs/dbraw/zinc/03/11/40/383031140.db2.gz QQEDWIBTDFKGBZ-QGZVFWFLSA-N 1 1 298.434 2.836 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccsc1 ZINC000248128599 383212453 /nfs/dbraw/zinc/21/24/53/383212453.db2.gz MNRVFJVIBVDZAI-HUUCEWRRSA-N 1 1 292.448 2.766 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000248127608 383213438 /nfs/dbraw/zinc/21/34/38/383213438.db2.gz MGMSXILYKAOEJK-HUUCEWRRSA-N 1 1 294.345 2.664 50 0 CFAAMO CCOC[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000247690861 383191553 /nfs/dbraw/zinc/19/15/53/383191553.db2.gz VWUDWBMFYYVTBC-CFVMTHIKSA-N 1 1 281.396 2.758 50 0 CFAAMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C[C@H]2C)C12CCC2 ZINC000247950019 383201618 /nfs/dbraw/zinc/20/16/18/383201618.db2.gz DXSRRUVTCJPAEB-LVQVYYBASA-N 1 1 280.456 2.654 50 0 CFAAMO CC(C)CC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247210507 383153271 /nfs/dbraw/zinc/15/32/71/383153271.db2.gz LYLHIANYVMSYEX-ZNMIVQPWSA-N 1 1 281.444 2.689 50 0 CFAAMO CCCC[C@@H](CC)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252445438 383408530 /nfs/dbraw/zinc/40/85/30/383408530.db2.gz CFBUHKAMPDNOQD-KGLIPLIRSA-N 1 1 252.402 2.509 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC000252477893 383410268 /nfs/dbraw/zinc/41/02/68/383410268.db2.gz XIXCPLCKXQOZPZ-YNEHKIRRSA-N 1 1 293.411 2.743 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC000252477893 383410274 /nfs/dbraw/zinc/41/02/74/383410274.db2.gz XIXCPLCKXQOZPZ-YNEHKIRRSA-N 1 1 293.411 2.743 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000249690735 383356014 /nfs/dbraw/zinc/35/60/14/383356014.db2.gz KQYKDJGMALWGDI-JKSUJKDBSA-N 1 1 290.382 2.915 50 0 CFAAMO FC(F)COCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000253421317 383458059 /nfs/dbraw/zinc/45/80/59/383458059.db2.gz UPVUHFPLUSJKJA-CYBMUJFWSA-N 1 1 295.333 2.565 50 0 CFAAMO CC[N@@H+]1C[C@@H](C)N(Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000253427216 383458878 /nfs/dbraw/zinc/45/88/78/383458878.db2.gz DOWHGKVTUDNDCO-OKILXGFUSA-N 1 1 289.423 2.560 50 0 CFAAMO C[C@@H]1C[N@H+](CC(=O)c2ccccc2O)C[C@@H]2C=CC=C[C@H]21 ZINC000253589386 383464013 /nfs/dbraw/zinc/46/40/13/383464013.db2.gz GAEFYVMKRUECDH-ILXRZTDVSA-N 1 1 283.371 2.885 50 0 CFAAMO C[C@@H]1C[N@@H+](CC(=O)c2ccccc2O)C[C@@H]2C=CC=C[C@H]21 ZINC000253589386 383464014 /nfs/dbraw/zinc/46/40/14/383464014.db2.gz GAEFYVMKRUECDH-ILXRZTDVSA-N 1 1 283.371 2.885 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](C)c2ccc(F)cc2)C1 ZINC000252586363 383421145 /nfs/dbraw/zinc/42/11/45/383421145.db2.gz PJWBEXXTLAOJEG-DZGCQCFKSA-N 1 1 292.398 2.729 50 0 CFAAMO CC(=O)N1CC[C@@H](Cc2[nH+]cc(C)n2Cc2ccccc2)C1 ZINC000257176623 383490018 /nfs/dbraw/zinc/49/00/18/383490018.db2.gz CUIBMUFBQDODFC-KRWDZBQOSA-N 1 1 297.402 2.651 50 0 CFAAMO C[N@@H+](CCCOCc1ccccc1)CC1(C)COC1 ZINC000439473668 384035723 /nfs/dbraw/zinc/03/57/23/384035723.db2.gz WIWQAKUFMXGWPC-UHFFFAOYSA-N 1 1 263.381 2.562 50 0 CFAAMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cccnc1N ZINC000289340893 197303041 /nfs/dbraw/zinc/30/30/41/197303041.db2.gz LWMFCXPXWCPKDF-UHFFFAOYSA-N 1 1 291.782 2.828 50 0 CFAAMO COC(=O)c1ccccc1C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000280325366 384975464 /nfs/dbraw/zinc/97/54/64/384975464.db2.gz QQKLJGHSTTVVNL-KRWDZBQOSA-N 1 1 291.391 2.864 50 0 CFAAMO Cc1ccoc1C(=O)NCCCNc1[nH]c2ccccc2[nH+]1 ZINC000270544690 385141050 /nfs/dbraw/zinc/14/10/50/385141050.db2.gz DCKZLDPMVJNQDL-UHFFFAOYSA-N 1 1 298.346 2.696 50 0 CFAAMO O=C1C[C@@H](C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CN1 ZINC000328599700 285243449 /nfs/dbraw/zinc/24/34/49/285243449.db2.gz SXAZPONSDOEGBQ-SNVBAGLBSA-N 1 1 287.338 2.642 50 0 CFAAMO O=C1C[C@@H](C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CN1 ZINC000328599700 285243451 /nfs/dbraw/zinc/24/34/51/285243451.db2.gz SXAZPONSDOEGBQ-SNVBAGLBSA-N 1 1 287.338 2.642 50 0 CFAAMO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000096404196 256791559 /nfs/dbraw/zinc/79/15/59/256791559.db2.gz ZXEOXGDTQPGSPR-QWHCGFSZSA-N 1 1 295.452 2.711 50 0 CFAAMO COCC[C@@H]1C[N@H+](Cc2oc3ccccc3c2C)CCO1 ZINC000824384172 781991446 /nfs/dbraw/zinc/99/14/46/781991446.db2.gz WPAFZTNIGIVACE-CQSZACIVSA-N 1 1 289.375 2.979 50 0 CFAAMO COCC[C@@H]1C[N@@H+](Cc2oc3ccccc3c2C)CCO1 ZINC000824384172 781991448 /nfs/dbraw/zinc/99/14/48/781991448.db2.gz WPAFZTNIGIVACE-CQSZACIVSA-N 1 1 289.375 2.979 50 0 CFAAMO CSCC[C@H](C)[N@@H+](C)Cc1cn2c(n1)nc(C)cc2C ZINC000095432013 184981524 /nfs/dbraw/zinc/98/15/24/184981524.db2.gz UXISVVSMIPJWBI-LBPRGKRZSA-N 1 1 292.452 2.920 50 0 CFAAMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489642 393473173 /nfs/dbraw/zinc/47/31/73/393473173.db2.gz DAGGEUHIWOTDNG-GZBFAFLISA-N 1 1 292.423 2.522 50 0 CFAAMO COc1cccc2ccc(N(C)C[C@@H]3CCC[N@H+]3C)nc21 ZINC000824804972 781996688 /nfs/dbraw/zinc/99/66/88/781996688.db2.gz JBJSDRMETPIHPC-AWEZNQCLSA-N 1 1 285.391 2.774 50 0 CFAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000046344832 393578345 /nfs/dbraw/zinc/57/83/45/393578345.db2.gz LJEUSUPNPMLNNP-KRWDZBQOSA-N 1 1 285.387 2.867 50 0 CFAAMO COCC[N@@H+](C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000218954238 393759213 /nfs/dbraw/zinc/75/92/13/393759213.db2.gz BYVJBNKSTZSUHF-CYBMUJFWSA-N 1 1 253.342 2.599 50 0 CFAAMO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](CCC=C(C)C)C2 ZINC000218923956 393759223 /nfs/dbraw/zinc/75/92/23/393759223.db2.gz IKTHTOYLDVPXKN-INIZCTEOSA-N 1 1 277.412 2.889 50 0 CFAAMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322566 393797169 /nfs/dbraw/zinc/79/71/69/393797169.db2.gz XZSCDPMBMFSXDX-HUUCEWRRSA-N 1 1 279.428 2.764 50 0 CFAAMO c1ncc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)[nH]1 ZINC000093342114 393797235 /nfs/dbraw/zinc/79/72/35/393797235.db2.gz YSUAUTWWKNZQHK-UHFFFAOYSA-N 1 1 285.391 2.839 50 0 CFAAMO c1nc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c[nH]1 ZINC000093342114 393797239 /nfs/dbraw/zinc/79/72/39/393797239.db2.gz YSUAUTWWKNZQHK-UHFFFAOYSA-N 1 1 285.391 2.839 50 0 CFAAMO c1nc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c[nH]1 ZINC000093342114 393797243 /nfs/dbraw/zinc/79/72/43/393797243.db2.gz YSUAUTWWKNZQHK-UHFFFAOYSA-N 1 1 285.391 2.839 50 0 CFAAMO CC(C)[C@@H](CO)[N@@H+](Cc1ccno1)Cc1ccccc1 ZINC000096424417 393829823 /nfs/dbraw/zinc/82/98/23/393829823.db2.gz VNBIIYQPRLVNJC-MRXNPFEDSA-N 1 1 274.364 2.694 50 0 CFAAMO C(C[N@@H+]1CCOC[C@]12CCOC2)SC1CCCCC1 ZINC000253398250 393941636 /nfs/dbraw/zinc/94/16/36/393941636.db2.gz BSNZVJQAJRFWPN-OAHLLOKOSA-N 1 1 285.453 2.544 50 0 CFAAMO C(C[N@H+]1CCOC[C@]12CCOC2)SC1CCCCC1 ZINC000253398250 393941641 /nfs/dbraw/zinc/94/16/41/393941641.db2.gz BSNZVJQAJRFWPN-OAHLLOKOSA-N 1 1 285.453 2.544 50 0 CFAAMO CC(C)OC(=O)CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125537855 394009236 /nfs/dbraw/zinc/00/92/36/394009236.db2.gz HXVDMPFLQQVXAF-AWEZNQCLSA-N 1 1 262.353 2.560 50 0 CFAAMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)nn1 ZINC000283119005 394129362 /nfs/dbraw/zinc/12/93/62/394129362.db2.gz MVGHVJOVPILRLO-HNNXBMFYSA-N 1 1 286.379 2.551 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccn2C)nn1 ZINC000283119005 394129364 /nfs/dbraw/zinc/12/93/64/394129364.db2.gz MVGHVJOVPILRLO-HNNXBMFYSA-N 1 1 286.379 2.551 50 0 CFAAMO c1cncc([C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000521396498 394381076 /nfs/dbraw/zinc/38/10/76/394381076.db2.gz JQTMDROTTACXDK-INIZCTEOSA-N 1 1 253.349 2.856 50 0 CFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cccs2)ccn1 ZINC000047013190 397583760 /nfs/dbraw/zinc/58/37/60/397583760.db2.gz HTSXVWVSZOGFCQ-UHFFFAOYSA-N 1 1 298.371 2.567 50 0 CFAAMO CN([NH2+]C=C1c2ccccc2N(C)C1=O)c1ccccc1 ZINC000109083488 397598484 /nfs/dbraw/zinc/59/84/84/397598484.db2.gz LWAQDWJWUATYMB-QINSGFPZSA-N 1 1 279.343 2.645 50 0 CFAAMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccccc1 ZINC000350670894 163097776 /nfs/dbraw/zinc/09/77/76/163097776.db2.gz UZODWFXRQJPZBJ-OLZOCXBDSA-N 1 1 296.361 2.839 50 0 CFAAMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccccc1 ZINC000350670896 163097978 /nfs/dbraw/zinc/09/79/78/163097978.db2.gz UZODWFXRQJPZBJ-QWHCGFSZSA-N 1 1 296.361 2.839 50 0 CFAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CO)c(C)c1C ZINC000004951321 170044855 /nfs/dbraw/zinc/04/48/55/170044855.db2.gz UEPBGBFQLXGEFW-HNNXBMFYSA-N 1 1 263.381 2.659 50 0 CFAAMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000004977963 170048202 /nfs/dbraw/zinc/04/82/02/170048202.db2.gz HOPDZGGGOSHAEP-OAHLLOKOSA-N 1 1 261.365 2.913 50 0 CFAAMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC000004977963 170048203 /nfs/dbraw/zinc/04/82/03/170048203.db2.gz HOPDZGGGOSHAEP-OAHLLOKOSA-N 1 1 261.365 2.913 50 0 CFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004990136 170050870 /nfs/dbraw/zinc/05/08/70/170050870.db2.gz KQXOXXXVFSNDET-ZDUSSCGKSA-N 1 1 286.375 2.943 50 0 CFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccn1 ZINC000005937442 170158587 /nfs/dbraw/zinc/15/85/87/170158587.db2.gz FPFKJEKSVNIPBU-OAHLLOKOSA-N 1 1 299.374 2.632 50 0 CFAAMO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000005960343 170162994 /nfs/dbraw/zinc/16/29/94/170162994.db2.gz TWONGAUIMUMGFF-CYBMUJFWSA-N 1 1 276.380 2.756 50 0 CFAAMO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000005960343 170162996 /nfs/dbraw/zinc/16/29/96/170162996.db2.gz TWONGAUIMUMGFF-CYBMUJFWSA-N 1 1 276.380 2.756 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000006007744 170167745 /nfs/dbraw/zinc/16/77/45/170167745.db2.gz DZTFRAZLIMYVBL-CHWSQXEVSA-N 1 1 288.391 2.806 50 0 CFAAMO CCOCC[N@H+]1CC[C@H](OC(=O)c2ccccc2)[C@H](C)C1 ZINC000006387210 170197323 /nfs/dbraw/zinc/19/73/23/170197323.db2.gz WMAVWZGHPBTWHI-ZBFHGGJFSA-N 1 1 291.391 2.590 50 0 CFAAMO Cc1[nH+]ccn1C[C@H](O)COc1ccc(C(C)C)cc1 ZINC000006705512 170230691 /nfs/dbraw/zinc/23/06/91/170230691.db2.gz WLWAQUNTEPECTH-HNNXBMFYSA-N 1 1 274.364 2.755 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000006731066 170235680 /nfs/dbraw/zinc/23/56/80/170235680.db2.gz GFZNHTPSEPZMOW-UHFFFAOYSA-N 1 1 275.396 2.979 50 0 CFAAMO CC(C)(C)[NH2+]CCCn1c(=O)c2ccccc2[nH]c1=S ZINC000007046064 170263812 /nfs/dbraw/zinc/26/38/12/170263812.db2.gz KLTRZPGLTQFYFF-UHFFFAOYSA-N 1 1 291.420 2.837 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000007063196 170265367 /nfs/dbraw/zinc/26/53/67/170265367.db2.gz HZXGDPTXHFMWAS-PHIMTYICSA-N 1 1 281.787 2.651 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000007063196 170265369 /nfs/dbraw/zinc/26/53/69/170265369.db2.gz HZXGDPTXHFMWAS-PHIMTYICSA-N 1 1 281.787 2.651 50 0 CFAAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000007340573 170277853 /nfs/dbraw/zinc/27/78/53/170277853.db2.gz IVZQCSMNIORQGV-CYBMUJFWSA-N 1 1 290.411 2.669 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000007340573 170277855 /nfs/dbraw/zinc/27/78/55/170277855.db2.gz IVZQCSMNIORQGV-CYBMUJFWSA-N 1 1 290.411 2.669 50 0 CFAAMO Cc1ccc2nc(C[N@@H+](C)Cc3ccccc3)cc(=O)n2c1 ZINC000007380586 170280840 /nfs/dbraw/zinc/28/08/40/170280840.db2.gz JZPHHNFGNIECBW-UHFFFAOYSA-N 1 1 293.370 2.635 50 0 CFAAMO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000007377638 170281270 /nfs/dbraw/zinc/28/12/70/170281270.db2.gz XYMWDKOPTJGTNI-LBPRGKRZSA-N 1 1 262.353 2.508 50 0 CFAAMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000007384186 170281887 /nfs/dbraw/zinc/28/18/87/170281887.db2.gz FSQPZQITBAXHQI-STQMWFEESA-N 1 1 276.380 2.754 50 0 CFAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)NC1CCCCC1 ZINC000007853937 170305179 /nfs/dbraw/zinc/30/51/79/170305179.db2.gz ROSJDCBUTPHCGS-MRXNPFEDSA-N 1 1 289.423 2.611 50 0 CFAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)NC1CCCCC1 ZINC000007853937 170305180 /nfs/dbraw/zinc/30/51/80/170305180.db2.gz ROSJDCBUTPHCGS-MRXNPFEDSA-N 1 1 289.423 2.611 50 0 CFAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)NCc1ccccc1 ZINC000008267561 170327962 /nfs/dbraw/zinc/32/79/62/170327962.db2.gz BYKVMQDUMHOPGC-IAGOWNOFSA-N 1 1 286.419 2.815 50 0 CFAAMO Cc1ccc(NC(=O)C[N@H+](C)CCc2ccncc2)cc1 ZINC000009367875 170374485 /nfs/dbraw/zinc/37/44/85/170374485.db2.gz ICRFEECGAGLGHH-UHFFFAOYSA-N 1 1 283.375 2.503 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+](C)CCc2ccncc2)cc1 ZINC000009367875 170374487 /nfs/dbraw/zinc/37/44/87/170374487.db2.gz ICRFEECGAGLGHH-UHFFFAOYSA-N 1 1 283.375 2.503 50 0 CFAAMO COc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000009764275 170385693 /nfs/dbraw/zinc/38/56/93/170385693.db2.gz XMINUIDWVAVVHB-OAHLLOKOSA-N 1 1 293.407 2.699 50 0 CFAAMO c1ccc2c(c1)CCc1ccccc1C2[NH+]1CCNCC1 ZINC000019850547 170897370 /nfs/dbraw/zinc/89/73/70/170897370.db2.gz MDBCLUYDTRHKCA-UHFFFAOYSA-N 1 1 278.399 2.780 50 0 CFAAMO C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000020478367 171221349 /nfs/dbraw/zinc/22/13/49/171221349.db2.gz BVJNCPUXLNWSNM-UHFFFAOYSA-N 1 1 287.190 2.771 50 0 CFAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000020534124 171240641 /nfs/dbraw/zinc/24/06/41/171240641.db2.gz XEEAHHONRAKSOO-KRWDZBQOSA-N 1 1 298.434 2.549 50 0 CFAAMO CC(C)Oc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020652549 171268752 /nfs/dbraw/zinc/26/87/52/171268752.db2.gz XMYVFSCCOWFUCW-GJZGRUSLSA-N 1 1 293.407 2.962 50 0 CFAAMO CCCCOc1ccccc1OCCC[NH+]1CCOCC1 ZINC000020653324 171268891 /nfs/dbraw/zinc/26/88/91/171268891.db2.gz JHTWLDDPYXIKBJ-UHFFFAOYSA-N 1 1 293.407 2.967 50 0 CFAAMO CCC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000021794006 171324864 /nfs/dbraw/zinc/32/48/64/171324864.db2.gz KPVAZYDIGITEDF-UHFFFAOYSA-N 1 1 299.378 2.943 50 0 CFAAMO CCC(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000021794006 171324865 /nfs/dbraw/zinc/32/48/65/171324865.db2.gz KPVAZYDIGITEDF-UHFFFAOYSA-N 1 1 299.378 2.943 50 0 CFAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1c(F)cccc1F ZINC000022078391 171352603 /nfs/dbraw/zinc/35/26/03/171352603.db2.gz UNZAXWODHKWUBV-ABAIWWIYSA-N 1 1 266.335 2.633 50 0 CFAAMO C[NH+]1CCN(CCCOc2cccc3ccccc32)CC1 ZINC000022385626 171385899 /nfs/dbraw/zinc/38/58/99/171385899.db2.gz UMAVHQYYCPAJTL-UHFFFAOYSA-N 1 1 284.403 2.856 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc2c(c1)OCO2 ZINC000035686561 172354612 /nfs/dbraw/zinc/35/46/12/172354612.db2.gz XKFKRJTVXUWDTN-CQSZACIVSA-N 1 1 290.407 2.769 50 0 CFAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000040007880 174182685 /nfs/dbraw/zinc/18/26/85/174182685.db2.gz SFGVXXIRTPCRIM-MELADBBJSA-N 1 1 252.402 2.508 50 0 CFAAMO CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040025529 174183622 /nfs/dbraw/zinc/18/36/22/174183622.db2.gz MXGQWJRJHUNGTL-HNNXBMFYSA-N 1 1 274.408 2.813 50 0 CFAAMO CC[NH+]1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000040098212 174190801 /nfs/dbraw/zinc/19/08/01/174190801.db2.gz SOVCKRKJUIRMAT-UHFFFAOYSA-N 1 1 287.407 2.735 50 0 CFAAMO CCc1cccc(CC)c1NC(=O)N1CC[NH+](CC)CC1 ZINC000040526344 174314006 /nfs/dbraw/zinc/31/40/06/174314006.db2.gz WYZQKKDLFYWKPF-UHFFFAOYSA-N 1 1 289.423 2.981 50 0 CFAAMO Cc1cc(CN2CC[NH+](Cc3ccccc3C)CC2)on1 ZINC000044874458 175269126 /nfs/dbraw/zinc/26/91/26/175269126.db2.gz UUNBNSULDCVLKQ-UHFFFAOYSA-N 1 1 285.391 2.609 50 0 CFAAMO C[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000045893257 175385828 /nfs/dbraw/zinc/38/58/28/175385828.db2.gz YKNGXCIRMWDEBG-ZCFIWIBFSA-N 1 1 257.215 2.775 50 0 CFAAMO Cn1nc(C[NH2+]Cc2ccccc2)c(-c2ccccc2)n1 ZINC000045944718 175387518 /nfs/dbraw/zinc/38/75/18/175387518.db2.gz WHFNCQAZISAHAV-UHFFFAOYSA-N 1 1 278.359 2.772 50 0 CFAAMO C[C@H](C(N)=O)[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000046054967 175391152 /nfs/dbraw/zinc/39/11/52/175391152.db2.gz MRDZRNNDCOVKEW-DYVFJYSZSA-N 1 1 280.371 2.508 50 0 CFAAMO c1cnn(-c2ccc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cc2)c1 ZINC000046092223 175392851 /nfs/dbraw/zinc/39/28/51/175392851.db2.gz ZTVZWOKALKAOAL-INIZCTEOSA-N 1 1 297.402 2.873 50 0 CFAAMO c1cnn(-c2ccc(C[N@H+](C[C@H]3CCOC3)C3CC3)cc2)c1 ZINC000046092224 175393027 /nfs/dbraw/zinc/39/30/27/175393027.db2.gz ZTVZWOKALKAOAL-MRXNPFEDSA-N 1 1 297.402 2.873 50 0 CFAAMO CCOc1cc(C[N@@H+](C)CCOC)ccc1OC(F)F ZINC000046777435 175399084 /nfs/dbraw/zinc/39/90/84/175399084.db2.gz MRTNVJNWTQVDKU-UHFFFAOYSA-N 1 1 289.322 2.765 50 0 CFAAMO C[C@@H](Nc1nc(N(C)C)[nH+]c2c1CCCC2)c1cccnc1 ZINC000065497547 175744465 /nfs/dbraw/zinc/74/44/65/175744465.db2.gz REBLHVWKFXGPDH-GFCCVEGCSA-N 1 1 297.406 2.990 50 0 CFAAMO C[N@H+]1CCC[C@@H](CCNC(=O)CCC2CCCC2)C1 ZINC000067714276 175786749 /nfs/dbraw/zinc/78/67/49/175786749.db2.gz SMDDTRWOKWYCCO-HNNXBMFYSA-N 1 1 266.429 2.805 50 0 CFAAMO CC(C)=CCC[C@@H](C)c1[nH+]ccn1CCNC(C)=O ZINC000071681824 176245723 /nfs/dbraw/zinc/24/57/23/176245723.db2.gz NGRIXLBYTJZIOT-CYBMUJFWSA-N 1 1 263.385 2.869 50 0 CFAAMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000071746045 176258420 /nfs/dbraw/zinc/25/84/20/176258420.db2.gz LCTKHEUPCMJBRW-LBPRGKRZSA-N 1 1 270.380 2.886 50 0 CFAAMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000071746045 176258421 /nfs/dbraw/zinc/25/84/21/176258421.db2.gz LCTKHEUPCMJBRW-LBPRGKRZSA-N 1 1 270.380 2.886 50 0 CFAAMO C[N@@H+](CC(=O)Nc1cccc(F)c1)C1CCCC1 ZINC000071813506 176268933 /nfs/dbraw/zinc/26/89/33/176268933.db2.gz DPBYQAZKBDBBFL-UHFFFAOYSA-N 1 1 250.317 2.639 50 0 CFAAMO NC(=O)[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000071824504 176271275 /nfs/dbraw/zinc/27/12/75/176271275.db2.gz DVJPEXISMLUPSG-HZPDHXFCSA-N 1 1 284.334 2.629 50 0 CFAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3C(C)C)nc12 ZINC000071828284 176272384 /nfs/dbraw/zinc/27/23/84/176272384.db2.gz OPKZJJFJMNBAPI-HNNXBMFYSA-N 1 1 285.391 2.623 50 0 CFAAMO CC[C@H](C)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000071919812 176299771 /nfs/dbraw/zinc/29/97/71/176299771.db2.gz SNVIQEZPEVIMIF-ZNMIVQPWSA-N 1 1 283.460 2.842 50 0 CFAAMO COc1ccc(F)cc1C[NH+]1CC(c2cccnc2)C1 ZINC000072148573 176325827 /nfs/dbraw/zinc/32/58/27/176325827.db2.gz PLCOUHLHLPOCKI-UHFFFAOYSA-N 1 1 272.323 2.829 50 0 CFAAMO CC[C@H](CO)[NH+]1CCN([C@@H](CC)c2ccccc2)CC1 ZINC000072304953 176366093 /nfs/dbraw/zinc/36/60/93/176366093.db2.gz UMWPNUHHAFMJTM-SJORKVTESA-N 1 1 276.424 2.526 50 0 CFAAMO CC(C)[N@@H+]1CCO[C@H](c2ccc(Br)cn2)C1 ZINC000072344125 176372511 /nfs/dbraw/zinc/37/25/11/176372511.db2.gz KZMPHMMQJGJSPQ-LBPRGKRZSA-N 1 1 285.185 2.626 50 0 CFAAMO CC(C)[N@H+]1CCO[C@H](c2ccc(Br)cn2)C1 ZINC000072344125 176372513 /nfs/dbraw/zinc/37/25/13/176372513.db2.gz KZMPHMMQJGJSPQ-LBPRGKRZSA-N 1 1 285.185 2.626 50 0 CFAAMO CCN1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072408249 176398031 /nfs/dbraw/zinc/39/80/31/176398031.db2.gz FGXIZBGSEZHAFZ-UHFFFAOYSA-N 1 1 290.451 2.528 50 0 CFAAMO CC[C@@H]1CN(C(=O)c2ccc(O)c(C)c2)CC[N@H+]1C(C)C ZINC000077287991 177249447 /nfs/dbraw/zinc/24/94/47/177249447.db2.gz XUYGVPKRDOUXAF-OAHLLOKOSA-N 1 1 290.407 2.645 50 0 CFAAMO CC(C)c1nc(C[N@@H+](C)C[C@H]2CCOC2)cs1 ZINC000077340245 177254198 /nfs/dbraw/zinc/25/41/98/177254198.db2.gz NMJMCXJXMCLJKR-LLVKDONJSA-N 1 1 254.399 2.735 50 0 CFAAMO CC(C)c1noc([C@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000077379749 177260419 /nfs/dbraw/zinc/26/04/19/177260419.db2.gz FXJABPWKXXHOPA-CQSZACIVSA-N 1 1 286.379 2.968 50 0 CFAAMO CC(C)c1noc([C@H]2CCC[N@H+]2CCc2ccccn2)n1 ZINC000077379749 177260421 /nfs/dbraw/zinc/26/04/21/177260421.db2.gz FXJABPWKXXHOPA-CQSZACIVSA-N 1 1 286.379 2.968 50 0 CFAAMO CCCOc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016488543 260099431 /nfs/dbraw/zinc/09/94/31/260099431.db2.gz GKUVMAVOETWVAD-GASCZTMLSA-N 1 1 293.407 2.963 50 0 CFAAMO CCCOc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016488543 260099433 /nfs/dbraw/zinc/09/94/33/260099433.db2.gz GKUVMAVOETWVAD-GASCZTMLSA-N 1 1 293.407 2.963 50 0 CFAAMO CC1(C)[C@@H]2C[C@H]1C(CCNc1nc(N)cc[nH+]1)=CC2 ZINC000827578487 782038346 /nfs/dbraw/zinc/03/83/46/782038346.db2.gz QROIJQGELNNUGY-RYUDHWBXSA-N 1 1 258.369 2.853 50 0 CFAAMO C[NH+]1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 ZINC000027303430 273896719 /nfs/dbraw/zinc/89/67/19/273896719.db2.gz PWRPUAKXMQAFCJ-UHFFFAOYSA-N 1 1 291.398 2.917 50 0 in-man CFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC000229405684 274277202 /nfs/dbraw/zinc/27/72/02/274277202.db2.gz SKEQQMGQGOCORZ-GOEBONIOSA-N 1 1 295.386 2.647 50 0 CFAAMO c1cc2ncnc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2s1 ZINC000222684465 275066221 /nfs/dbraw/zinc/06/62/21/275066221.db2.gz YZXNKGLPNWHMAO-JQWIXIFHSA-N 1 1 274.393 2.730 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)c2c(C)noc2C(C)C)CC1 ZINC000071853903 276005852 /nfs/dbraw/zinc/00/58/52/276005852.db2.gz DVZZHFOLUAIJAH-UHFFFAOYSA-N 1 1 293.411 2.664 50 0 CFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000367427279 276152813 /nfs/dbraw/zinc/15/28/13/276152813.db2.gz XVMNICZVGWKCFK-CQSZACIVSA-N 1 1 264.413 2.654 50 0 CFAAMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000071884699 277073989 /nfs/dbraw/zinc/07/39/89/277073989.db2.gz RGBQDYQEZUMJJX-RRFJBIMHSA-N 1 1 292.810 2.654 50 0 CFAAMO C[C@H](c1c(F)cccc1F)[NH+]1CCC2(CC1)OCCO2 ZINC000059402618 278305016 /nfs/dbraw/zinc/30/50/16/278305016.db2.gz ILNVGNPLGLUTQO-LLVKDONJSA-N 1 1 283.318 2.865 50 0 CFAAMO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCCC1 ZINC000032764751 279144015 /nfs/dbraw/zinc/14/40/15/279144015.db2.gz LFVJZDQNGVEEML-GFCCVEGCSA-N 1 1 278.421 2.680 50 0 CFAAMO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000032764751 279144016 /nfs/dbraw/zinc/14/40/16/279144016.db2.gz LFVJZDQNGVEEML-GFCCVEGCSA-N 1 1 278.421 2.680 50 0 CFAAMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000065625751 279240655 /nfs/dbraw/zinc/24/06/55/279240655.db2.gz DENPVIYKFHYJRR-CYBMUJFWSA-N 1 1 268.360 2.659 50 0 CFAAMO Cc1[nH]c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2c1C ZINC000035132782 280183766 /nfs/dbraw/zinc/18/37/66/280183766.db2.gz TYESMGBZHGQCIO-UHFFFAOYSA-N 1 1 285.391 2.562 50 0 CFAAMO Cc1cc(=O)c2ccccc2n1C[C@H]1CCC[N@H+](C)C1 ZINC000095375880 280303459 /nfs/dbraw/zinc/30/34/59/280303459.db2.gz POBBLMCKHYOUPP-AWEZNQCLSA-N 1 1 270.376 2.652 50 0 CFAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNc2ccncn2)C1 ZINC000091745996 281392000 /nfs/dbraw/zinc/39/20/00/281392000.db2.gz IIBFEKKRCMHWKH-HNNXBMFYSA-N 1 1 282.391 2.686 50 0 CFAAMO C[C@H](NC(=O)C[N@@H+](C)C1CCCC1)C1=CCCCC1 ZINC000827989717 782064477 /nfs/dbraw/zinc/06/44/77/782064477.db2.gz ZHIJNPPCMLEVMH-ZDUSSCGKSA-N 1 1 264.413 2.866 50 0 CFAAMO Cc1cc(F)ccc1N1CCC([NH2+]Cc2ccn[nH]2)CC1 ZINC000534582528 328312349 /nfs/dbraw/zinc/31/23/49/328312349.db2.gz STKWBEHPLVUJCP-UHFFFAOYSA-N 1 1 288.370 2.616 50 0 CFAAMO Cc1cccc(CC2(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000534667847 328346173 /nfs/dbraw/zinc/34/61/73/328346173.db2.gz NXKCYAQAMPORBU-MRXNPFEDSA-N 1 1 286.419 2.671 50 0 CFAAMO C[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000162336182 323630625 /nfs/dbraw/zinc/63/06/25/323630625.db2.gz LLKJWTTWVDYEQH-DGCLKSJQSA-N 1 1 279.384 2.632 50 0 CFAAMO OC[C@H]1CCC[N@@H+](CCCNc2ccc3ccccc3n2)C1 ZINC000828711238 782102775 /nfs/dbraw/zinc/10/27/75/782102775.db2.gz TXRHCBDFPUQMFW-HNNXBMFYSA-N 1 1 299.418 2.741 50 0 CFAAMO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@H]2CO)o1 ZINC000828710943 782103047 /nfs/dbraw/zinc/10/30/47/782103047.db2.gz QFFWDZSLUXPINE-OCCSQVGLSA-N 1 1 251.370 2.928 50 0 CFAAMO CC(=O)c1cc(C[N@@H+](C)CCC[C@H]2CCCO2)n(C)c1 ZINC000215086340 518275585 /nfs/dbraw/zinc/27/55/85/518275585.db2.gz LZJUGFDLRKDZFS-INIZCTEOSA-N 1 1 278.396 2.619 50 0 CFAAMO CCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000069321915 519853671 /nfs/dbraw/zinc/85/36/71/519853671.db2.gz WHLPZHWHHQMTCS-ZDUSSCGKSA-N 1 1 262.401 2.594 50 0 CFAAMO Cc1ccc(Cl)c(OCCCC[NH+]2CCNCC2)c1 ZINC000020272137 524713229 /nfs/dbraw/zinc/71/32/29/524713229.db2.gz ULOTVLOQLZWEOI-UHFFFAOYSA-N 1 1 282.815 2.713 50 0 CFAAMO CSc1cccc(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000244594069 526096052 /nfs/dbraw/zinc/09/60/52/526096052.db2.gz DFTWTWNPGUHLNH-AWEZNQCLSA-N 1 1 262.422 2.689 50 0 CFAAMO Cc1cnc(SCC[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000340675836 526100541 /nfs/dbraw/zinc/10/05/41/526100541.db2.gz LSOPNOZYANHBLR-LBPRGKRZSA-N 1 1 251.399 2.752 50 0 CFAAMO c1cn2c([nH+]1)C[C@H](c1nc(CCc3ccccc3)no1)CC2 ZINC000193202586 526539480 /nfs/dbraw/zinc/53/94/80/526539480.db2.gz UBLMMJOTRANTAE-CQSZACIVSA-N 1 1 294.358 2.781 50 0 CFAAMO c1cn2c([nH+]1)C[C@H](c1nc(C3CCCC3)no1)CC2 ZINC000193166518 526539579 /nfs/dbraw/zinc/53/95/79/526539579.db2.gz YGYTXEYOVFREAQ-LLVKDONJSA-N 1 1 258.325 2.654 50 0 CFAAMO O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000239667434 527664912 /nfs/dbraw/zinc/66/49/12/527664912.db2.gz BPZXEFRJVIZNSD-DLBZAZTESA-N 1 1 291.439 2.679 50 0 CFAAMO CC[N@@H+](C)C[C@](C)(O)c1ccccc1C(F)(F)F ZINC000096441397 527840396 /nfs/dbraw/zinc/84/03/96/527840396.db2.gz JTQXFMJXLNTDMN-LBPRGKRZSA-N 1 1 261.287 2.865 50 0 CFAAMO CC(C)c1[nH+]ccn1CC(=O)N(C1CC1)C1CCCC1 ZINC000096500035 528367367 /nfs/dbraw/zinc/36/73/67/528367367.db2.gz CDPQBYKHODASHD-UHFFFAOYSA-N 1 1 275.396 2.940 50 0 CFAAMO CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccn1 ZINC000225807754 528843620 /nfs/dbraw/zinc/84/36/20/528843620.db2.gz IXHZDLVPTWYMTB-LSDHHAIUSA-N 1 1 289.423 2.566 50 0 CFAAMO CC1(C)CN(c2ccncc2C(F)(F)F)CCC[NH2+]1 ZINC000952995427 614683504 /nfs/dbraw/zinc/68/35/04/614683504.db2.gz LTDDHJPUACZJAX-UHFFFAOYSA-N 1 1 273.302 2.679 50 0 CFAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2-c2ccco2)C1 ZINC000952987621 615067506 /nfs/dbraw/zinc/06/75/06/615067506.db2.gz KHVHTDNTLZLXCY-HNNXBMFYSA-N 1 1 298.386 2.905 50 0 CFAAMO C[N@H+](Cc1nc2ccccc2[nH]1)C1CSCCSC1 ZINC000952991307 616103261 /nfs/dbraw/zinc/10/32/61/616103261.db2.gz NGURZBRRWITRAE-UHFFFAOYSA-N 1 1 293.461 2.843 50 0 CFAAMO C[N@@H+](Cc1nc2ccccc2[nH]1)C1CSCCSC1 ZINC000952991307 616103262 /nfs/dbraw/zinc/10/32/62/616103262.db2.gz NGURZBRRWITRAE-UHFFFAOYSA-N 1 1 293.461 2.843 50 0 CFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000003684254 618685931 /nfs/dbraw/zinc/68/59/31/618685931.db2.gz CEVZKGVNGGYUKK-CQSZACIVSA-N 1 1 280.437 2.829 50 0 CFAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@@H](C)C1 ZINC000008556390 619096833 /nfs/dbraw/zinc/09/68/33/619096833.db2.gz XGSFSMOKZNRERD-RDBSUJKOSA-N 1 1 253.386 2.983 50 0 CFAAMO C[N@@H+](CCC1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000173372322 623345465 /nfs/dbraw/zinc/34/54/65/623345465.db2.gz QXOHQRLOJMOBSK-HNNXBMFYSA-N 1 1 258.365 2.524 50 0 CFAAMO Cc1cc2nc(C)cc(NCCNc3[nH+]cccc3C)n2n1 ZINC000072478621 625675354 /nfs/dbraw/zinc/67/53/54/625675354.db2.gz PAEQRWOTUDASAJ-UHFFFAOYSA-N 1 1 296.378 2.574 50 0 CFAAMO COc1cccc(N2C(=O)C[N@@H+](CCC(C)C)C[C@@H]2C)c1 ZINC000012034317 626229060 /nfs/dbraw/zinc/22/90/60/626229060.db2.gz VVBYAYRSNNKJFD-AWEZNQCLSA-N 1 1 290.407 2.778 50 0 CFAAMO COc1cccc(N2C(=O)C[N@H+](CCC(C)C)C[C@@H]2C)c1 ZINC000012034317 626229062 /nfs/dbraw/zinc/22/90/62/626229062.db2.gz VVBYAYRSNNKJFD-AWEZNQCLSA-N 1 1 290.407 2.778 50 0 CFAAMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244400 /nfs/dbraw/zinc/24/44/00/626244400.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 1 1 292.423 2.522 50 0 CFAAMO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244402 /nfs/dbraw/zinc/24/44/02/626244402.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 1 1 292.423 2.522 50 0 CFAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244405 /nfs/dbraw/zinc/24/44/05/626244405.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 1 1 292.423 2.522 50 0 CFAAMO CC(C)c1ccc(N[C@@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000012434727 626255668 /nfs/dbraw/zinc/25/56/68/626255668.db2.gz QMSSBUBKLVTCNJ-MRXNPFEDSA-N 1 1 262.397 2.679 50 0 CFAAMO Cc1cc(C)c([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@H+]24)cc1C ZINC000012594589 626260783 /nfs/dbraw/zinc/26/07/83/626260783.db2.gz IGRHFXLMVWZIQM-IEZWGBDMSA-N 1 1 298.430 2.979 50 0 CFAAMO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ncco1 ZINC000863982450 637831515 /nfs/dbraw/zinc/83/15/15/637831515.db2.gz LYWACJIFSKJEKI-NSHDSACASA-N 1 1 270.336 2.684 50 0 CFAAMO C[N@@H+]1CC[C@@H]2CN(CCCc3c(F)cccc3F)C[C@@H]2C1 ZINC000864091343 637871524 /nfs/dbraw/zinc/87/15/24/637871524.db2.gz SQJCOTSXCIELHL-KGLIPLIRSA-N 1 1 294.389 2.781 50 0 CFAAMO C[N@H+]1CC[C@@H]2CN(CCCc3c(F)cccc3F)C[C@@H]2C1 ZINC000864091343 637871532 /nfs/dbraw/zinc/87/15/32/637871532.db2.gz SQJCOTSXCIELHL-KGLIPLIRSA-N 1 1 294.389 2.781 50 0 CFAAMO Cc1ccc(C[N@@H+](CCCO)Cc2ccoc2)cc1 ZINC000952970685 650790865 /nfs/dbraw/zinc/79/08/65/650790865.db2.gz SNEDOYNOTPXZIE-UHFFFAOYSA-N 1 1 259.349 2.973 50 0 CFAAMO Cc1[nH+]ccn1CCCNC(=O)OCc1ccccc1 ZINC000585145909 775584888 /nfs/dbraw/zinc/58/48/88/775584888.db2.gz JSOVSXAEYKFOBI-UHFFFAOYSA-N 1 1 273.336 2.508 50 0 CFAAMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832622 777865495 /nfs/dbraw/zinc/86/54/95/777865495.db2.gz XZDTWPHUHCJJKJ-CYBMUJFWSA-N 1 1 280.799 2.640 50 0 CFAAMO CC[C@@H](C(=O)NCc1ccc2[nH]c(C)cc2c1)[N@@H+](C)CC ZINC000822555788 781903665 /nfs/dbraw/zinc/90/36/65/781903665.db2.gz NBRLGHBYDOZJQB-INIZCTEOSA-N 1 1 287.407 2.823 50 0 CFAAMO CC[C@@H](O)C1CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC000822594949 781906168 /nfs/dbraw/zinc/90/61/68/781906168.db2.gz KGQHQGLFPLXLJR-OAHLLOKOSA-N 1 1 260.381 2.558 50 0 CFAAMO c1ccc(-c2nc3c([nH]2)C[N@H+]([C@H]2CCCOC2)CC3)cc1 ZINC000095528763 185004458 /nfs/dbraw/zinc/00/44/58/185004458.db2.gz PFERUNVKDRVATL-AWEZNQCLSA-N 1 1 283.375 2.614 50 0 CFAAMO c1ccc(-c2nc3c([nH]2)C[N@@H+]([C@H]2CCCOC2)CC3)cc1 ZINC000095528763 185004460 /nfs/dbraw/zinc/00/44/60/185004460.db2.gz PFERUNVKDRVATL-AWEZNQCLSA-N 1 1 283.375 2.614 50 0 CFAAMO C[C@H](c1ccc(-c2nc(CO)n[nH]2)cc1)[NH+]1CCCCC1 ZINC000426746337 230428125 /nfs/dbraw/zinc/42/81/25/230428125.db2.gz SLEVBZVYIMVZPT-GFCCVEGCSA-N 1 1 286.379 2.511 50 0 CFAAMO CCN(C)c1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974241 185049652 /nfs/dbraw/zinc/04/96/52/185049652.db2.gz AZAGKHNKHOSHAZ-IAGOWNOFSA-N 1 1 287.451 2.859 50 0 CFAAMO CCN(C)c1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974241 185049653 /nfs/dbraw/zinc/04/96/53/185049653.db2.gz AZAGKHNKHOSHAZ-IAGOWNOFSA-N 1 1 287.451 2.859 50 0 CFAAMO CC(C)CNc1ccc(CCN2CC[NH+](C)CC2)cc1 ZINC000095981675 185053896 /nfs/dbraw/zinc/05/38/96/185053896.db2.gz HNNLGSMWMGDVGC-UHFFFAOYSA-N 1 1 275.440 2.544 50 0 CFAAMO COC[C@@](C)([NH2+]Cc1ccccn1)c1ccccc1 ZINC000095985816 185055135 /nfs/dbraw/zinc/05/51/35/185055135.db2.gz FZCUSAVOAIWSQP-MRXNPFEDSA-N 1 1 256.349 2.733 50 0 CFAAMO CC(=O)Nc1ccc(C)c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000097034030 185157364 /nfs/dbraw/zinc/15/73/64/185157364.db2.gz MRBWVQCCSNIABF-WFASDCNBSA-N 1 1 287.407 2.991 50 0 CFAAMO CC(C)(C[NH+]1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000097033970 185157438 /nfs/dbraw/zinc/15/74/38/185157438.db2.gz JSHOTICBBNXHNP-UHFFFAOYSA-N 1 1 284.407 2.962 50 0 CFAAMO Cc1nc(CC[N@@H+]2CCOC3(CCCC3)C2)cs1 ZINC000125524849 187189400 /nfs/dbraw/zinc/18/94/00/187189400.db2.gz QHOQMDPYBLPNLE-UHFFFAOYSA-N 1 1 266.410 2.639 50 0 CFAAMO Cc1nc(CC[N@H+]2CCOC3(CCCC3)C2)cs1 ZINC000125524849 187189401 /nfs/dbraw/zinc/18/94/01/187189401.db2.gz QHOQMDPYBLPNLE-UHFFFAOYSA-N 1 1 266.410 2.639 50 0 CFAAMO c1ncn(C[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)n1 ZINC000069617412 346896022 /nfs/dbraw/zinc/89/60/22/346896022.db2.gz HNHFCVCZBZHXJB-LBPRGKRZSA-N 1 1 299.403 2.552 50 0 CFAAMO c1ncn(C[C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)n1 ZINC000069617412 346896024 /nfs/dbraw/zinc/89/60/24/346896024.db2.gz HNHFCVCZBZHXJB-LBPRGKRZSA-N 1 1 299.403 2.552 50 0 CFAAMO c1ncn(C[C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)n1 ZINC000069617405 346896497 /nfs/dbraw/zinc/89/64/97/346896497.db2.gz HNHFCVCZBZHXJB-GFCCVEGCSA-N 1 1 299.403 2.552 50 0 CFAAMO c1ncn(C[C@H]2CCC[N@H+]2Cc2nc3ccccc3s2)n1 ZINC000069617405 346896499 /nfs/dbraw/zinc/89/64/99/346896499.db2.gz HNHFCVCZBZHXJB-GFCCVEGCSA-N 1 1 299.403 2.552 50 0 CFAAMO CC[C@H]([NH2+]Cc1nnc(C)n1CC)c1cccs1 ZINC000096502712 529638183 /nfs/dbraw/zinc/63/81/83/529638183.db2.gz FHOBPDODSLJDTL-NSHDSACASA-N 1 1 264.398 2.909 50 0 CFAAMO Fc1cc(Br)ccc1[C@@H]1[NH2+]CCS1 ZINC000020247112 282959754 /nfs/dbraw/zinc/95/97/54/282959754.db2.gz FDAOCLFUOJJQOV-SECBINFHSA-N 1 1 262.147 2.923 50 0 CFAAMO C[N@H+](CC(=O)Nc1ccccc1)[C@@H](CCO)c1ccccc1 ZINC000096441581 529838882 /nfs/dbraw/zinc/83/88/82/529838882.db2.gz BSSFEMIYURFUSW-KRWDZBQOSA-N 1 1 298.386 2.681 50 0 CFAAMO C[N@@H+](CC(=O)Nc1ccccc1)[C@@H](CCO)c1ccccc1 ZINC000096441581 529838883 /nfs/dbraw/zinc/83/88/83/529838883.db2.gz BSSFEMIYURFUSW-KRWDZBQOSA-N 1 1 298.386 2.681 50 0 CFAAMO C[N@@H+](CCCn1ccnc1)Cc1nc2ccccc2o1 ZINC000096490565 529898865 /nfs/dbraw/zinc/89/88/65/529898865.db2.gz KEUCNMHKLQFUQA-UHFFFAOYSA-N 1 1 270.336 2.546 50 0 CFAAMO Cc1nnc(C[N@@H+](C[C@H]2CCCO2)C2CCC(C)CC2)o1 ZINC000075833938 282313961 /nfs/dbraw/zinc/31/39/61/282313961.db2.gz BEQVDYWCYNLVJQ-PESDSKBTSA-N 1 1 293.411 2.938 50 0 CFAAMO Cc1nnc(C[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)o1 ZINC000075833938 282313965 /nfs/dbraw/zinc/31/39/65/282313965.db2.gz BEQVDYWCYNLVJQ-PESDSKBTSA-N 1 1 293.411 2.938 50 0 CFAAMO O=c1cc(C[N@H+]2C[C@@H]3CCCCC[C@@H]32)nc2sccn21 ZINC000075109046 347056072 /nfs/dbraw/zinc/05/60/72/347056072.db2.gz WANMWISPJBPVNA-AAEUAGOBSA-N 1 1 289.404 2.521 50 0 CFAAMO C[N@@H+](Cc1ccno1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000096445675 530011812 /nfs/dbraw/zinc/01/18/12/530011812.db2.gz LZUSLDFRDFSOKF-UHFFFAOYSA-N 1 1 295.383 2.506 50 0 CFAAMO CCOc1ncccc1C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000097159190 185550666 /nfs/dbraw/zinc/55/06/66/185550666.db2.gz ISEGZDQOWANNPW-UHFFFAOYSA-N 1 1 288.395 2.791 50 0 CFAAMO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CCOC(C)C ZINC000075605073 347086653 /nfs/dbraw/zinc/08/66/53/347086653.db2.gz ZLKCAAHXKHPMQC-GFCCVEGCSA-N 1 1 285.819 2.944 50 0 CFAAMO Cc1ccc(OCCCCCN2CC[NH+](C)CC2)cc1 ZINC000033560089 346311492 /nfs/dbraw/zinc/31/14/92/346311492.db2.gz BGMFYARWPJJYRL-UHFFFAOYSA-N 1 1 276.424 2.792 50 0 CFAAMO CCCC(=O)N1CC[N@@H+](C2CC2)C[C@H]1Cc1ccccc1 ZINC000085472678 179077106 /nfs/dbraw/zinc/07/71/06/179077106.db2.gz AJPWTWYGUAVPTQ-QGZVFWFLSA-N 1 1 286.419 2.704 50 0 CFAAMO CCCC(=O)N1CC[N@H+](C2CC2)C[C@H]1Cc1ccccc1 ZINC000085472678 179077109 /nfs/dbraw/zinc/07/71/09/179077109.db2.gz AJPWTWYGUAVPTQ-QGZVFWFLSA-N 1 1 286.419 2.704 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000075746193 347096546 /nfs/dbraw/zinc/09/65/46/347096546.db2.gz AZAUWAXXWRYFKV-KGLIPLIRSA-N 1 1 251.395 2.547 50 0 CFAAMO CC(C)(C)OC(=O)[C@@H]([NH3+])CSCc1ccccc1 ZINC000059338271 346656779 /nfs/dbraw/zinc/65/67/79/346656779.db2.gz HTRMBSHLDQGUBK-LBPRGKRZSA-N 1 1 267.394 2.589 50 0 CFAAMO C[N@H+](Cc1ccccc1)C[C@@H](CO)c1ccccc1 ZINC000096027593 347700570 /nfs/dbraw/zinc/70/05/70/347700570.db2.gz DLQNFALCHYKSGE-KRWDZBQOSA-N 1 1 255.361 2.895 50 0 CFAAMO CC(C)C[N@H+]1CCCC[C@@H]1c1nncn1CC1CC1 ZINC000097941521 347711422 /nfs/dbraw/zinc/71/14/22/347711422.db2.gz BFQPPOHXLAXYKB-CQSZACIVSA-N 1 1 262.401 2.871 50 0 CFAAMO CCCn1cc(CNc2[nH+]c3cc(F)ccc3n2C)cn1 ZINC000170596659 348055114 /nfs/dbraw/zinc/05/51/14/348055114.db2.gz UCWRDFXIOMGIRI-UHFFFAOYSA-N 1 1 287.342 2.931 50 0 CFAAMO Cc1csc(C[N@@H+](C)CC2CCC3(CC2)OCCO3)n1 ZINC000170612231 348056902 /nfs/dbraw/zinc/05/69/02/348056902.db2.gz KXQMAKUYOJXJKN-UHFFFAOYSA-N 1 1 296.436 2.817 50 0 CFAAMO Fc1cc(F)cc(C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000225463570 348177397 /nfs/dbraw/zinc/17/73/97/348177397.db2.gz AFKVVEZOLCGYSV-HNNXBMFYSA-N 1 1 292.333 2.611 50 0 CFAAMO Fc1cc(F)cc(C[N@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000225463570 348177398 /nfs/dbraw/zinc/17/73/98/348177398.db2.gz AFKVVEZOLCGYSV-HNNXBMFYSA-N 1 1 292.333 2.611 50 0 CFAAMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCC1OCCO1 ZINC000390833480 348543949 /nfs/dbraw/zinc/54/39/49/348543949.db2.gz IBWKVRXYMDMIGL-MRXNPFEDSA-N 1 1 291.391 2.767 50 0 CFAAMO Cc1nocc1C[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000397920532 348565752 /nfs/dbraw/zinc/56/57/52/348565752.db2.gz NGBDDBXBQQWXKG-UHFFFAOYSA-N 1 1 282.347 2.767 50 0 CFAAMO C[N@@H+](Cc1c(Cl)cncc1Cl)C[C@H]1CCOC1 ZINC000584890342 348728443 /nfs/dbraw/zinc/72/84/43/348728443.db2.gz OOJBVJXNQXULSY-SECBINFHSA-N 1 1 275.179 2.857 50 0 CFAAMO C[N@H+](Cc1c(Cl)cncc1Cl)C[C@H]1CCOC1 ZINC000584890342 348728446 /nfs/dbraw/zinc/72/84/46/348728446.db2.gz OOJBVJXNQXULSY-SECBINFHSA-N 1 1 275.179 2.857 50 0 CFAAMO CC(=O)N1CCC[C@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000584903989 348733806 /nfs/dbraw/zinc/73/38/06/348733806.db2.gz CCMWADPNAUWWLR-AWEZNQCLSA-N 1 1 269.348 2.658 50 0 CFAAMO CCO[C@@H](C)C[N@@H+](C)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091350488 180137765 /nfs/dbraw/zinc/13/77/65/180137765.db2.gz WSFPALHCQNIBDS-ZDUSSCGKSA-N 1 1 288.391 2.693 50 0 CFAAMO COc1ccc(F)cc1C[N@H+]1CC[C@@](O)(C2CC2)[C@H](C)C1 ZINC000091381570 180143624 /nfs/dbraw/zinc/14/36/24/180143624.db2.gz XQRHKLSZDILJOE-PXAZEXFGSA-N 1 1 293.382 2.817 50 0 CFAAMO Clc1c[nH+]ccc1NCc1nncn1-c1ccccc1 ZINC000091429929 180152772 /nfs/dbraw/zinc/15/27/72/180152772.db2.gz OQTKLWGWBDZLMG-UHFFFAOYSA-N 1 1 285.738 2.928 50 0 CFAAMO c1ccc(C[N@@H+]2CC[C@@H](CCNc3ncccn3)C2)cc1 ZINC000091636445 180211318 /nfs/dbraw/zinc/21/13/18/180211318.db2.gz GHULXZJSYCXMJS-MRXNPFEDSA-N 1 1 282.391 2.801 50 0 CFAAMO CC(C)=CC[C@@]1(CO)CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000091680282 180226185 /nfs/dbraw/zinc/22/61/85/180226185.db2.gz GVORNCPDSWRATA-KRWDZBQOSA-N 1 1 289.423 2.716 50 0 CFAAMO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c(C)c1C ZINC000091694401 180229044 /nfs/dbraw/zinc/22/90/44/180229044.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 1 1 288.435 2.838 50 0 CFAAMO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C)C3)c(C)c1C ZINC000091694401 180229045 /nfs/dbraw/zinc/22/90/45/180229045.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 1 1 288.435 2.838 50 0 CFAAMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C)C3)c(C)c1C ZINC000091694401 180229047 /nfs/dbraw/zinc/22/90/47/180229047.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 1 1 288.435 2.838 50 0 CFAAMO CCCc1ncc(C[N@H+]2CCC[C@@](CO)(CCC)C2)cn1 ZINC000091713790 180231613 /nfs/dbraw/zinc/23/16/13/180231613.db2.gz QSHRDVMQNLCSFP-KRWDZBQOSA-N 1 1 291.439 2.804 50 0 CFAAMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000091859048 180275158 /nfs/dbraw/zinc/27/51/58/180275158.db2.gz SWDKHLWCGYKQBT-INIZCTEOSA-N 1 1 281.371 2.819 50 0 CFAAMO CCCn1ncc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)c1C ZINC000091808914 180260813 /nfs/dbraw/zinc/26/08/13/180260813.db2.gz ASHBXUPSZRIOSO-INIZCTEOSA-N 1 1 279.428 2.584 50 0 CFAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1coc(C)n1)C2 ZINC000091818709 180262861 /nfs/dbraw/zinc/26/28/61/180262861.db2.gz QVQZHAMSAGJKPJ-DOTOQJQBSA-N 1 1 289.423 2.845 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@](CO)(CC2CC2)C1 ZINC000091943581 180289871 /nfs/dbraw/zinc/28/98/71/180289871.db2.gz AMJCHNYVBVTHDK-MRXNPFEDSA-N 1 1 278.396 2.666 50 0 CFAAMO Fc1ccc(/C=C/C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000091927790 180287298 /nfs/dbraw/zinc/28/72/98/180287298.db2.gz KBESVMDDYUPCFL-WHOUHKNASA-N 1 1 291.366 2.719 50 0 CFAAMO Fc1ccc(/C=C/C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000091927790 180287300 /nfs/dbraw/zinc/28/73/00/180287300.db2.gz KBESVMDDYUPCFL-WHOUHKNASA-N 1 1 291.366 2.719 50 0 CFAAMO O[C@@H]1C[C@@H](C2CCCCC2)[N@@H+](CCc2ccncc2)C1 ZINC000106853698 186142682 /nfs/dbraw/zinc/14/26/82/186142682.db2.gz XXBWFZPNZNZKLD-SJORKVTESA-N 1 1 274.408 2.640 50 0 CFAAMO CCc1ccc(C[N@H+](C)CN2C(=O)C[C@H](C)[C@@H]2C)cc1 ZINC000106924137 186151610 /nfs/dbraw/zinc/15/16/10/186151610.db2.gz OXJLGRMMURWXKF-KBPBESRZSA-N 1 1 274.408 2.895 50 0 CFAAMO CCc1ccc(C[N@@H+](C)CN2C(=O)C[C@H](C)[C@@H]2C)cc1 ZINC000106924137 186151611 /nfs/dbraw/zinc/15/16/11/186151611.db2.gz OXJLGRMMURWXKF-KBPBESRZSA-N 1 1 274.408 2.895 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)cc1 ZINC000110641719 186308356 /nfs/dbraw/zinc/30/83/56/186308356.db2.gz FKLLEGKOBGXBKF-LSDHHAIUSA-N 1 1 292.448 2.762 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCSc1nnc(C2CC2)s1 ZINC000083877919 540187545 /nfs/dbraw/zinc/18/75/45/540187545.db2.gz HLPQTKKNRSIZDY-SNVBAGLBSA-N 1 1 269.439 2.992 50 0 CFAAMO O=c1[nH]c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc2ccccc21 ZINC000007488266 540390954 /nfs/dbraw/zinc/39/09/54/540390954.db2.gz QSMQZOXUVDVHKZ-UONOGXRCSA-N 1 1 297.402 2.935 50 0 CFAAMO O=c1[nH]c(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc2ccccc21 ZINC000007488266 540390956 /nfs/dbraw/zinc/39/09/56/540390956.db2.gz QSMQZOXUVDVHKZ-UONOGXRCSA-N 1 1 297.402 2.935 50 0 CFAAMO CC[N@H+]1CC[C@@H](Nc2ccc3n[nH]cc3c2)[C@H](C)C1 ZINC000095991596 540726573 /nfs/dbraw/zinc/72/65/73/540726573.db2.gz PDVOUWPOYAPCIJ-BXUZGUMPSA-N 1 1 258.369 2.705 50 0 CFAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH]cn2)c1 ZINC000179885630 189225754 /nfs/dbraw/zinc/22/57/54/189225754.db2.gz JGBVKPKYONOOJX-OAHLLOKOSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000179885630 189225755 /nfs/dbraw/zinc/22/57/55/189225755.db2.gz JGBVKPKYONOOJX-OAHLLOKOSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2cnc[nH]2)c1 ZINC000179885630 189225756 /nfs/dbraw/zinc/22/57/56/189225756.db2.gz JGBVKPKYONOOJX-OAHLLOKOSA-N 1 1 257.337 2.755 50 0 CFAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)c1 ZINC000179885630 189225757 /nfs/dbraw/zinc/22/57/57/189225757.db2.gz JGBVKPKYONOOJX-OAHLLOKOSA-N 1 1 257.337 2.755 50 0 CFAAMO CCC[N@H+]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000389285703 540941594 /nfs/dbraw/zinc/94/15/94/540941594.db2.gz VXEWYSLAYNUHOP-LBPRGKRZSA-N 1 1 256.353 2.526 50 0 CFAAMO Cc1ccc(-n2ncnc2C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000670439308 540994377 /nfs/dbraw/zinc/99/43/77/540994377.db2.gz SRELJGORUIKMCB-HNNXBMFYSA-N 1 1 270.380 2.603 50 0 CFAAMO CC[N@H+]1CCC[C@H]1CN1CCCN(c2ccccc2)CC1 ZINC000670439113 540994929 /nfs/dbraw/zinc/99/49/29/540994929.db2.gz RRQQEADLXRZESG-SFHVURJKSA-N 1 1 287.451 2.683 50 0 CFAAMO CCN1CCC[C@H]1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000670439113 540994930 /nfs/dbraw/zinc/99/49/30/540994930.db2.gz RRQQEADLXRZESG-SFHVURJKSA-N 1 1 287.451 2.683 50 0 CFAAMO CCN1CCC[C@H]1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000670439113 540994932 /nfs/dbraw/zinc/99/49/32/540994932.db2.gz RRQQEADLXRZESG-SFHVURJKSA-N 1 1 287.451 2.683 50 0 CFAAMO c1cc(C2CC[NH+]([C@H]3CCN(c4ccccc4)C3)CC2)[nH]n1 ZINC000670440493 540995918 /nfs/dbraw/zinc/99/59/18/540995918.db2.gz MSPPISQWLBJBCW-KRWDZBQOSA-N 1 1 296.418 2.868 50 0 CFAAMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670450519 540998703 /nfs/dbraw/zinc/99/87/03/540998703.db2.gz LJORNOOYGCXQPU-ZDUSSCGKSA-N 1 1 258.365 2.761 50 0 CFAAMO CN(CCOc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000670450945 540999644 /nfs/dbraw/zinc/99/96/44/540999644.db2.gz AQWFPTXNPHONCW-AWEZNQCLSA-N 1 1 294.414 2.867 50 0 CFAAMO CN(CCOc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000670450945 540999647 /nfs/dbraw/zinc/99/96/47/540999647.db2.gz AQWFPTXNPHONCW-AWEZNQCLSA-N 1 1 294.414 2.867 50 0 CFAAMO CC(C)c1nccc(C[N@@H+](C)CCC2(O)CCCC2)n1 ZINC000670453285 541000501 /nfs/dbraw/zinc/00/05/01/541000501.db2.gz IFBPMYRYWBHKTM-UHFFFAOYSA-N 1 1 277.412 2.727 50 0 CFAAMO Cc1nncn1CC[N@H+]1CCC[C@@H](c2cccc(C)c2)C1 ZINC000670455272 541000919 /nfs/dbraw/zinc/00/09/19/541000919.db2.gz MGPLORUSTVTQAH-QGZVFWFLSA-N 1 1 284.407 2.775 50 0 CFAAMO C[N@@H+](Cc1cc2ccccc2[nH]1)CC1(CO)CCC1 ZINC000670454871 541000979 /nfs/dbraw/zinc/00/09/79/541000979.db2.gz IRDMMKYYYZPSTA-UHFFFAOYSA-N 1 1 258.365 2.762 50 0 CFAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000670456233 541001501 /nfs/dbraw/zinc/00/15/01/541001501.db2.gz WELNYJDGKWPGDK-GFCCVEGCSA-N 1 1 288.416 2.859 50 0 CFAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCc1ccccc1 ZINC000670456399 541001697 /nfs/dbraw/zinc/00/16/97/541001697.db2.gz JSZHCWZBDQZJIM-FVQHAEBGSA-N 1 1 275.392 2.845 50 0 CFAAMO Clc1cccc(OC2C[NH+](CC[C@@H]3CCOC3)C2)c1 ZINC000670457206 541001949 /nfs/dbraw/zinc/00/19/49/541001949.db2.gz JMEOLMNVSDOZAB-GFCCVEGCSA-N 1 1 281.783 2.830 50 0 CFAAMO CCC[N@H+]1CCC[C@H](Nc2nnc(C(C)C)s2)C1 ZINC000670426625 540989651 /nfs/dbraw/zinc/98/96/51/540989651.db2.gz YSEIKHYOYVRGSB-NSHDSACASA-N 1 1 268.430 2.948 50 0 CFAAMO Cc1n[nH]cc1C[N@H+](C)Cc1ccnc2ccccc12 ZINC000670471163 541009943 /nfs/dbraw/zinc/00/99/43/541009943.db2.gz POYMFPJBIPUBFT-UHFFFAOYSA-N 1 1 266.348 2.898 50 0 CFAAMO Cn1cc(C[N@H+](C)Cc2ccncc2)c(C(C)(C)C)n1 ZINC000183749640 189367144 /nfs/dbraw/zinc/36/71/44/189367144.db2.gz AOHXGSXJLBAUSE-UHFFFAOYSA-N 1 1 272.396 2.745 50 0 CFAAMO Cn1cc(C[N@@H+](C)Cc2ccncc2)c(C(C)(C)C)n1 ZINC000183749640 189367145 /nfs/dbraw/zinc/36/71/45/189367145.db2.gz AOHXGSXJLBAUSE-UHFFFAOYSA-N 1 1 272.396 2.745 50 0 CFAAMO NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000000042042 371515977 /nfs/dbraw/zinc/51/59/77/371515977.db2.gz KVCMQLYGPBWTHT-UHFFFAOYSA-N 1 1 287.190 2.691 50 0 CFAAMO CCOC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000208038 371557506 /nfs/dbraw/zinc/55/75/06/371557506.db2.gz XUPQGPHSQHXQQJ-UHFFFAOYSA-N 1 1 261.365 2.504 50 0 CFAAMO CCCN1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1 ZINC000000280322 371576514 /nfs/dbraw/zinc/57/65/14/371576514.db2.gz BECLWCGMUKTBLF-AWEZNQCLSA-N 1 1 270.461 2.780 50 0 CFAAMO O=C(c1ccco1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000000317095 371585942 /nfs/dbraw/zinc/58/59/42/371585942.db2.gz GGHWLRIOGLYBBG-UHFFFAOYSA-N 1 1 298.386 2.670 50 0 CFAAMO C[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000000409688 371607919 /nfs/dbraw/zinc/60/79/19/371607919.db2.gz MHGBNKILXYHXGE-UHFFFAOYSA-N 1 1 288.178 2.773 50 0 CFAAMO COc1ccc(C(=O)O[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000000497650 371631573 /nfs/dbraw/zinc/63/15/73/371631573.db2.gz DXLIAGZRNHJCQN-SLEUVZQESA-N 1 1 277.364 2.581 50 0 CFAAMO CSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000000524915 371634993 /nfs/dbraw/zinc/63/49/93/371634993.db2.gz LJHDSDRRMXVUAB-JTQLQIEISA-N 1 1 274.349 2.515 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000757119 371647432 /nfs/dbraw/zinc/64/74/32/371647432.db2.gz AVDQZGGUVJXHCZ-SNVBAGLBSA-N 1 1 287.190 2.691 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000757119 371647441 /nfs/dbraw/zinc/64/74/41/371647441.db2.gz AVDQZGGUVJXHCZ-SNVBAGLBSA-N 1 1 287.190 2.691 50 0 CFAAMO C[N@@H+](CCOC(=O)/C=C/c1ccco1)C(C)(C)C ZINC000001834980 371708909 /nfs/dbraw/zinc/70/89/09/371708909.db2.gz ISVFMURJLARZKZ-BQYQJAHWSA-N 1 1 251.326 2.566 50 0 CFAAMO CCOCC[N@H+]1CC[C@@H](OC(=O)c2ccccc2)[C@H](C)C1 ZINC000001876880 371710556 /nfs/dbraw/zinc/71/05/56/371710556.db2.gz WMAVWZGHPBTWHI-GDBMZVCRSA-N 1 1 291.391 2.590 50 0 CFAAMO Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000002696092 371746841 /nfs/dbraw/zinc/74/68/41/371746841.db2.gz MYCZMPJQZOSEFK-SFHVURJKSA-N 1 1 297.398 2.793 50 0 CFAAMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000003254038 371785489 /nfs/dbraw/zinc/78/54/89/371785489.db2.gz HOTLIFUDQTYBKZ-HZPDHXFCSA-N 1 1 277.408 2.918 50 0 CFAAMO COc1ccccc1/C=C/C(=O)OCC[N@@H+](C)C(C)C ZINC000004029243 371829290 /nfs/dbraw/zinc/82/92/90/371829290.db2.gz NKWMRMIKUXTMPD-MDZDMXLPSA-N 1 1 277.364 2.592 50 0 CFAAMO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1)c1ccco1 ZINC000010328218 371905597 /nfs/dbraw/zinc/90/55/97/371905597.db2.gz UXHJSRZMTPYUCQ-CYBMUJFWSA-N 1 1 273.336 2.704 50 0 CFAAMO COc1cccc(C(=O)O[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000012436818 371965140 /nfs/dbraw/zinc/96/51/40/371965140.db2.gz GZVRRJMREYBBIV-YWPYICTPSA-N 1 1 277.364 2.581 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000012618434 371977951 /nfs/dbraw/zinc/97/79/51/371977951.db2.gz YTDYZSCOKRCAOU-JKSUJKDBSA-N 1 1 295.398 2.968 50 0 CFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000013305048 372021616 /nfs/dbraw/zinc/02/16/16/372021616.db2.gz NQORPPOOEJKAEV-HLLBOEOZSA-N 1 1 277.408 2.827 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1Cn1sc2ccccc2c1=O ZINC000013833683 372051942 /nfs/dbraw/zinc/05/19/42/372051942.db2.gz IOHBIRVTJUGAEU-LLVKDONJSA-N 1 1 262.378 2.547 50 0 CFAAMO CC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccccc1 ZINC000014020538 372056410 /nfs/dbraw/zinc/05/64/10/372056410.db2.gz XWWYHYYVCQVRRY-AWEZNQCLSA-N 1 1 287.363 2.832 50 0 CFAAMO NC(=O)CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000016384650 372105507 /nfs/dbraw/zinc/10/55/07/372105507.db2.gz ACRJNLXCIUGDOX-CQSZACIVSA-N 1 1 292.429 2.633 50 0 CFAAMO Clc1cccc(-c2noc(C[NH+]3CCCC3)n2)c1 ZINC000014963267 372075556 /nfs/dbraw/zinc/07/55/56/372075556.db2.gz PHFDPXLFTGYXSN-UHFFFAOYSA-N 1 1 263.728 2.986 50 0 CFAAMO C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000016193409 372101714 /nfs/dbraw/zinc/10/17/14/372101714.db2.gz UCRCOSPLMJUXIB-TXEJJXNPSA-N 1 1 269.772 2.828 50 0 CFAAMO C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000016193409 372101719 /nfs/dbraw/zinc/10/17/19/372101719.db2.gz UCRCOSPLMJUXIB-TXEJJXNPSA-N 1 1 269.772 2.828 50 0 CFAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000019235025 372150624 /nfs/dbraw/zinc/15/06/24/372150624.db2.gz VWIURBCNVSLNCU-UHFFFAOYSA-N 1 1 294.398 2.953 50 0 CFAAMO COc1ccc(-c2[nH+]c3ccc(N)cn3c2C)cc1 ZINC000019953248 372213740 /nfs/dbraw/zinc/21/37/40/372213740.db2.gz TVNRTOAIIHTTOU-UHFFFAOYSA-N 1 1 253.305 2.901 50 0 CFAAMO CC[NH+]1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc32)CC1 ZINC000020029509 372219547 /nfs/dbraw/zinc/21/95/47/372219547.db2.gz NCFHZOXVCSQLIY-UHFFFAOYSA-N 1 1 299.418 2.605 50 0 CFAAMO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000020050035 372223379 /nfs/dbraw/zinc/22/33/79/372223379.db2.gz UYLNYMZXBWLAEX-MRVPVSSYSA-N 1 1 275.179 2.732 50 0 CFAAMO C[C@@H]([NH3+])c1nc(COc2ccc3ccccc3c2)no1 ZINC000019786521 372187683 /nfs/dbraw/zinc/18/76/83/372187683.db2.gz LSBWBVIAMVDNME-SNVBAGLBSA-N 1 1 269.304 2.822 50 0 CFAAMO C[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000019836134 372193428 /nfs/dbraw/zinc/19/34/28/372193428.db2.gz YWECAFLAZAOMNB-HNNXBMFYSA-N 1 1 286.419 2.693 50 0 CFAAMO Cc1nc[nH]c1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022878242 372247521 /nfs/dbraw/zinc/24/75/21/372247521.db2.gz YEBKXZWTNAYDHG-VMPITWQZSA-N 1 1 296.418 2.549 50 0 CFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(Cl)c1 ZINC000022935903 372248819 /nfs/dbraw/zinc/24/88/19/372248819.db2.gz SOSKTAAFCABETK-CQSZACIVSA-N 1 1 252.789 2.914 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(Cl)c1 ZINC000022935903 372248821 /nfs/dbraw/zinc/24/88/21/372248821.db2.gz SOSKTAAFCABETK-CQSZACIVSA-N 1 1 252.789 2.914 50 0 CFAAMO Cn1cc(C[N@@H+](C)Cc2cccc3cccnc32)cn1 ZINC000025434927 372300686 /nfs/dbraw/zinc/30/06/86/372300686.db2.gz DDXZJLUGNLHVMH-UHFFFAOYSA-N 1 1 266.348 2.600 50 0 CFAAMO COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000023282495 372258306 /nfs/dbraw/zinc/25/83/06/372258306.db2.gz OZBWKDNYLWENKI-GDBMZVCRSA-N 1 1 277.408 2.721 50 0 CFAAMO CCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000026225850 372315832 /nfs/dbraw/zinc/31/58/32/372315832.db2.gz FDJVOVPFULLGMX-GUYCJALGSA-N 1 1 298.386 2.963 50 0 CFAAMO OC1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000026858868 372329529 /nfs/dbraw/zinc/32/95/29/372329529.db2.gz PYSKCHALAURQQU-UHFFFAOYSA-N 1 1 276.767 2.845 50 0 CFAAMO CSc1ccc(C[N@@H+](C)CCC(=O)NC2CC2)cc1 ZINC000026901445 372330408 /nfs/dbraw/zinc/33/04/08/372330408.db2.gz JKOFOCGGDMWQER-UHFFFAOYSA-N 1 1 278.421 2.509 50 0 CFAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C)c1ccco1 ZINC000027135149 372335097 /nfs/dbraw/zinc/33/50/97/372335097.db2.gz RVQXOCUAEIUFDP-NEPJUHHUSA-N 1 1 266.385 2.823 50 0 CFAAMO CC[N@@H+](Cc1cc(=O)oc2c(C)c(O)ccc12)C1CC1 ZINC000029912862 372387794 /nfs/dbraw/zinc/38/77/94/372387794.db2.gz NQDIWOUWWQNFFK-UHFFFAOYSA-N 1 1 273.332 2.791 50 0 CFAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000032912065 372475620 /nfs/dbraw/zinc/47/56/20/372475620.db2.gz KNKPLDFMIFQOOA-MRXNPFEDSA-N 1 1 272.392 2.567 50 0 CFAAMO NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000032935675 372479433 /nfs/dbraw/zinc/47/94/33/372479433.db2.gz UGVXQAOAESXCAF-AWEZNQCLSA-N 1 1 297.402 2.720 50 0 CFAAMO CC(C)[C@H]1CN(C)CC[N@H+]1CCCc1ccccc1 ZINC000032547820 372444584 /nfs/dbraw/zinc/44/45/84/372444584.db2.gz MINAIMVEJNPQTB-QGZVFWFLSA-N 1 1 260.425 2.891 50 0 CFAAMO CCN1CCC2(CC1)[NH2+]CCc1c3cc(OC)ccc3[nH]c12 ZINC000035373024 372550436 /nfs/dbraw/zinc/55/04/36/372550436.db2.gz XJKMLZDJTHARRX-UHFFFAOYSA-N 1 1 299.418 2.633 50 0 CFAAMO CCC[N@H+](Cc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000036096504 372557928 /nfs/dbraw/zinc/55/79/28/372557928.db2.gz UHROGBPJPVOWDD-CQSZACIVSA-N 1 1 293.363 2.662 50 0 CFAAMO CCC[N@H+](Cc1ccc(C)o1)C[C@@H](O)COC(C)(C)C ZINC000036097898 372558996 /nfs/dbraw/zinc/55/89/96/372558996.db2.gz CGRWRZXDDBJZEC-CQSZACIVSA-N 1 1 283.412 2.976 50 0 CFAAMO Cc1ccc(C[N@H+](C[C@@H](O)COCC(C)C)C(C)C)o1 ZINC000036097717 372559299 /nfs/dbraw/zinc/55/92/99/372559299.db2.gz XGMJGROMQXELBE-OAHLLOKOSA-N 1 1 283.412 2.832 50 0 CFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000036382139 372575398 /nfs/dbraw/zinc/57/53/98/372575398.db2.gz DPEGBKCRHNDOHE-WMLDXEAASA-N 1 1 286.419 2.740 50 0 CFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000036382139 372575401 /nfs/dbraw/zinc/57/54/01/372575401.db2.gz DPEGBKCRHNDOHE-WMLDXEAASA-N 1 1 286.419 2.740 50 0 CFAAMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1c[nH]nc1C ZINC000037089985 372647863 /nfs/dbraw/zinc/64/78/63/372647863.db2.gz GEJWRMRNKMFLGJ-JTQLQIEISA-N 1 1 263.316 2.717 50 0 CFAAMO CCOc1ccccc1CNC[C@H]1CC[N@@H+](CC)C1 ZINC000037643761 372677869 /nfs/dbraw/zinc/67/78/69/372677869.db2.gz XXBFMXFXKNDVMH-CQSZACIVSA-N 1 1 262.397 2.517 50 0 CFAAMO COc1ccc2ccccc2c1C[NH2+]Cc1cc[nH]n1 ZINC000041014982 372804294 /nfs/dbraw/zinc/80/42/94/372804294.db2.gz RPYSIILTXKZNAI-UHFFFAOYSA-N 1 1 267.332 2.861 50 0 CFAAMO Cn1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1=O ZINC000042113039 372874528 /nfs/dbraw/zinc/87/45/28/372874528.db2.gz JUCLCZNTAPICLQ-KRWDZBQOSA-N 1 1 282.387 2.592 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2c(F)cccc2Cl)C1 ZINC000046861278 373065748 /nfs/dbraw/zinc/06/57/48/373065748.db2.gz CRCGKLCUAMUVEH-LLVKDONJSA-N 1 1 298.789 2.941 50 0 CFAAMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](CC(N)=O)C1CC1 ZINC000049333254 373288096 /nfs/dbraw/zinc/28/80/96/373288096.db2.gz LTDQNIHEWAZBEI-LBPRGKRZSA-N 1 1 268.360 2.851 50 0 CFAAMO c1ccc2oc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000051917416 373417935 /nfs/dbraw/zinc/41/79/35/373417935.db2.gz IPCYRQPQZZUKMW-GFCCVEGCSA-N 1 1 257.337 2.502 50 0 CFAAMO OCCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213969 373441637 /nfs/dbraw/zinc/44/16/37/373441637.db2.gz HUPCYXMAKSZWKI-CYBMUJFWSA-N 1 1 284.197 2.968 50 0 CFAAMO C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000054152520 373503094 /nfs/dbraw/zinc/50/30/94/373503094.db2.gz YKCUCNYNFZYWRV-UHFFFAOYSA-N 1 1 285.391 2.730 50 0 CFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000054226488 373506175 /nfs/dbraw/zinc/50/61/75/373506175.db2.gz WIKKCNHOYZSCNF-HIFRSBDPSA-N 1 1 284.359 2.845 50 0 CFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCc1ccco1 ZINC000057222180 373583813 /nfs/dbraw/zinc/58/38/13/373583813.db2.gz RJQOZVTVZNAXEG-UHFFFAOYSA-N 1 1 296.330 2.740 50 0 CFAAMO c1ccc(NCC[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000055074686 373539250 /nfs/dbraw/zinc/53/92/50/373539250.db2.gz CAISHGLDTJLOKC-FUHWJXTLSA-N 1 1 287.451 2.953 50 0 CFAAMO CCOC[C@H](O)CNc1cc(C)c2cc(C)ccc2[nH+]1 ZINC000055108959 373541090 /nfs/dbraw/zinc/54/10/90/373541090.db2.gz YKKOSVISHTXQCK-CYBMUJFWSA-N 1 1 274.364 2.661 50 0 CFAAMO CCn1nc(C)c(C[N@H+](CC)Cc2ccc(CO)o2)c1C ZINC000055227572 373546698 /nfs/dbraw/zinc/54/66/98/373546698.db2.gz JRPKPJQWLRNKAJ-UHFFFAOYSA-N 1 1 291.395 2.627 50 0 CFAAMO CCn1nc(C)c(C[N@@H+](CC)Cc2ccc(CO)o2)c1C ZINC000055227572 373546703 /nfs/dbraw/zinc/54/67/03/373546703.db2.gz JRPKPJQWLRNKAJ-UHFFFAOYSA-N 1 1 291.395 2.627 50 0 CFAAMO CC(C)CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000058194096 373631410 /nfs/dbraw/zinc/63/14/10/373631410.db2.gz ZSVVGHZTOWZGMK-UHFFFAOYSA-N 1 1 290.407 2.546 50 0 CFAAMO Cc1[nH+]ccn1CCCC(=O)N(C)C1CCCCC1 ZINC000058299961 373642971 /nfs/dbraw/zinc/64/29/71/373642971.db2.gz WHUWUHDQCLXKOK-UHFFFAOYSA-N 1 1 263.385 2.763 50 0 CFAAMO CCn1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000058392843 373652191 /nfs/dbraw/zinc/65/21/91/373652191.db2.gz OPWAHMYQOMNPHS-MRXNPFEDSA-N 1 1 298.390 2.506 50 0 CFAAMO CCn1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000058392843 373652199 /nfs/dbraw/zinc/65/21/99/373652199.db2.gz OPWAHMYQOMNPHS-MRXNPFEDSA-N 1 1 298.390 2.506 50 0 CFAAMO CCC[C@@H](Nc1nc(N(C)C)c(C)c[nH+]1)c1nccn1C ZINC000065533888 373884311 /nfs/dbraw/zinc/88/43/11/373884311.db2.gz HUNFCZAHYUUXEX-GFCCVEGCSA-N 1 1 288.399 2.538 50 0 CFAAMO O=C(C[N@H+](Cc1ccccc1)CC1CCC1)NC1CC1 ZINC000065161497 373846258 /nfs/dbraw/zinc/84/62/58/373846258.db2.gz KNKYICJXFRBJNT-UHFFFAOYSA-N 1 1 272.392 2.567 50 0 CFAAMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000065287725 373853574 /nfs/dbraw/zinc/85/35/74/373853574.db2.gz DIVBHLINCKLBFO-INIZCTEOSA-N 1 1 284.407 2.986 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CCCC[C@@H]2CO)c1C ZINC000065418918 373868771 /nfs/dbraw/zinc/86/87/71/373868771.db2.gz JJCBAQBOOSDMAT-OAHLLOKOSA-N 1 1 263.381 2.529 50 0 CFAAMO CC[N@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000065410158 373869380 /nfs/dbraw/zinc/86/93/80/373869380.db2.gz UOESQCKCQULQDM-UHFFFAOYSA-N 1 1 263.312 2.933 50 0 CFAAMO CC[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000065410158 373869385 /nfs/dbraw/zinc/86/93/85/373869385.db2.gz UOESQCKCQULQDM-UHFFFAOYSA-N 1 1 263.312 2.933 50 0 CFAAMO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCOC1 ZINC000067713147 373994259 /nfs/dbraw/zinc/99/42/59/373994259.db2.gz NLGMSKKBCXYWPC-GFCCVEGCSA-N 1 1 289.354 2.684 50 0 CFAAMO CCNc1cc[nH+]c(N2Cc3cnc(C(C)(C)C)nc3C2)n1 ZINC000067770093 373998773 /nfs/dbraw/zinc/99/87/73/373998773.db2.gz AWZDRPYVMYZZLK-UHFFFAOYSA-N 1 1 298.394 2.516 50 0 CFAAMO CC(C)c1ccc(CC(=O)NC[C@]2(C)CC[N@@H+](C)C2)cc1 ZINC000067770816 374001790 /nfs/dbraw/zinc/00/17/90/374001790.db2.gz KITTXDODWHXNSW-SFHVURJKSA-N 1 1 288.435 2.811 50 0 CFAAMO Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)nc21 ZINC000067841841 374006792 /nfs/dbraw/zinc/00/67/92/374006792.db2.gz OJBRKXBWAQHBJP-ZDUSSCGKSA-N 1 1 295.390 2.974 50 0 CFAAMO Cc1cccc2[nH]c([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)nc21 ZINC000067841841 374006797 /nfs/dbraw/zinc/00/67/97/374006797.db2.gz OJBRKXBWAQHBJP-ZDUSSCGKSA-N 1 1 295.390 2.974 50 0 CFAAMO CCc1[nH+]ccn1CCCn1cc([C@@H]2CC=CCC2)nn1 ZINC000067847393 374009376 /nfs/dbraw/zinc/00/93/76/374009376.db2.gz SAEUNFLWXZEHFR-CQSZACIVSA-N 1 1 285.395 2.951 50 0 CFAAMO Cc1nc(C[N@@H+](C)[C@H](C)Cc2ncccc2C)co1 ZINC000067847533 374009702 /nfs/dbraw/zinc/00/97/02/374009702.db2.gz XYAASDVRVBPODS-GFCCVEGCSA-N 1 1 259.353 2.749 50 0 CFAAMO Cc1nc(C[N@H+](C)[C@H](C)Cc2ncccc2C)co1 ZINC000067847533 374009708 /nfs/dbraw/zinc/00/97/08/374009708.db2.gz XYAASDVRVBPODS-GFCCVEGCSA-N 1 1 259.353 2.749 50 0 CFAAMO CCc1ccc(-c2nccn2C[C@@H]2CCCC[N@H+]2C)nc1 ZINC000067881381 374012371 /nfs/dbraw/zinc/01/23/71/374012371.db2.gz KOWJZYLKMWSTSQ-HNNXBMFYSA-N 1 1 284.407 2.992 50 0 CFAAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1[nH]c2ccc(F)cc2c1C ZINC000067884440 374012775 /nfs/dbraw/zinc/01/27/75/374012775.db2.gz DPGFSQIOUTUOBU-JTQLQIEISA-N 1 1 291.370 2.572 50 0 CFAAMO Cc1n[nH]c(C)c1[C@H](C)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000067894503 374013272 /nfs/dbraw/zinc/01/32/72/374013272.db2.gz AYBVESBHCLYFGV-NSHDSACASA-N 1 1 285.351 2.756 50 0 CFAAMO c1[nH]c2ccccc2c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067561104 373983350 /nfs/dbraw/zinc/98/33/50/373983350.db2.gz QUTSZDLTAVQJJD-KRWDZBQOSA-N 1 1 269.392 2.743 50 0 CFAAMO CCn1cc(-c2cccc(C[NH+]3CCOCC3)c2)c(C)n1 ZINC000067605328 373987688 /nfs/dbraw/zinc/98/76/88/373987688.db2.gz YGFOODCYCHQSLJ-UHFFFAOYSA-N 1 1 285.391 2.711 50 0 CFAAMO CCSCCC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000069485757 374068662 /nfs/dbraw/zinc/06/86/62/374068662.db2.gz PHGDJCROYVPAES-UHFFFAOYSA-N 1 1 294.464 2.898 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000069661085 374082899 /nfs/dbraw/zinc/08/28/99/374082899.db2.gz WSNYOBKLCDTYEX-GJZGRUSLSA-N 1 1 264.413 2.652 50 0 CFAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000069531638 374072357 /nfs/dbraw/zinc/07/23/57/374072357.db2.gz CZKTUVDBYUWWBC-LLVKDONJSA-N 1 1 278.783 2.554 50 0 CFAAMO CCC[N@H+]1CCCN(C(=O)c2sccc2C)CC1 ZINC000069665538 374082941 /nfs/dbraw/zinc/08/29/41/374082941.db2.gz LPOCNFXDGOQESY-UHFFFAOYSA-N 1 1 266.410 2.614 50 0 CFAAMO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000069589616 374076906 /nfs/dbraw/zinc/07/69/06/374076906.db2.gz YOWCXUFZGUTUPY-WDEREUQCSA-N 1 1 284.350 2.776 50 0 CFAAMO CCc1ncc2c(n1)C[N@H+](CCc1ccc(OC)cc1)CC2 ZINC000070011714 374114647 /nfs/dbraw/zinc/11/46/47/374114647.db2.gz DTAQHPMJRQXNOF-UHFFFAOYSA-N 1 1 297.402 2.648 50 0 CFAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nnc(C)o1 ZINC000069683866 374085562 /nfs/dbraw/zinc/08/55/62/374085562.db2.gz HWLUZKCNBDGWHJ-AWEZNQCLSA-N 1 1 287.363 2.594 50 0 CFAAMO COc1cccc(C[N@@H+](CCO)Cc2ccsc2)c1 ZINC000069739457 374090877 /nfs/dbraw/zinc/09/08/77/374090877.db2.gz IKFLFEDCHFJQMG-UHFFFAOYSA-N 1 1 277.389 2.751 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)cn1 ZINC000069741054 374090974 /nfs/dbraw/zinc/09/09/74/374090974.db2.gz KPBGVCATLSDXOH-HNNXBMFYSA-N 1 1 259.328 2.896 50 0 CFAAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccccc2F)cn1 ZINC000069741054 374090982 /nfs/dbraw/zinc/09/09/82/374090982.db2.gz KPBGVCATLSDXOH-HNNXBMFYSA-N 1 1 259.328 2.896 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000069779986 374098693 /nfs/dbraw/zinc/09/86/93/374098693.db2.gz MGMSXILYKAOEJK-GJZGRUSLSA-N 1 1 294.345 2.664 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2nc(C)c(C)o2)c1 ZINC000069815331 374100347 /nfs/dbraw/zinc/10/03/47/374100347.db2.gz VXCPZPXKGXRRTB-OAHLLOKOSA-N 1 1 288.395 2.851 50 0 CFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2nc(C)c(C)o2)c1 ZINC000069815331 374100356 /nfs/dbraw/zinc/10/03/56/374100356.db2.gz VXCPZPXKGXRRTB-OAHLLOKOSA-N 1 1 288.395 2.851 50 0 CFAAMO c1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CCOCO2)cc1 ZINC000069899871 374107118 /nfs/dbraw/zinc/10/71/18/374107118.db2.gz UXZHACMCGCOXEI-SJORKVTESA-N 1 1 275.392 2.847 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccco1 ZINC000069901905 374108936 /nfs/dbraw/zinc/10/89/36/374108936.db2.gz PKSJFPMRHJWCKP-HOTGVXAUSA-N 1 1 290.407 2.688 50 0 CFAAMO NC(=O)[C@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000071924528 374231722 /nfs/dbraw/zinc/23/17/22/374231722.db2.gz VZLHDHCCWARFEZ-OJXHRBAXSA-N 1 1 266.344 2.516 50 0 CFAAMO c1cnn(C[C@@H]2CCCC[N@@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875219 374227581 /nfs/dbraw/zinc/22/75/81/374227581.db2.gz MRDZZVOCBHRBRN-INIZCTEOSA-N 1 1 295.390 2.586 50 0 CFAAMO c1cnn(C[C@@H]2CCCC[N@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875219 374227591 /nfs/dbraw/zinc/22/75/91/374227591.db2.gz MRDZZVOCBHRBRN-INIZCTEOSA-N 1 1 295.390 2.586 50 0 CFAAMO CSc1ccc(OCC[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC000075591398 374493638 /nfs/dbraw/zinc/49/36/38/374493638.db2.gz WUVSYHWCZFCTSC-UHFFFAOYSA-N 1 1 291.420 2.653 50 0 CFAAMO Cc1cnc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cn1 ZINC000076089531 374530773 /nfs/dbraw/zinc/53/07/73/374530773.db2.gz SETQRRLEVZAYET-INIZCTEOSA-N 1 1 275.396 2.709 50 0 CFAAMO C[N@@H+](CCc1ccncc1)Cc1ccc(Cl)nc1 ZINC000078968990 374578618 /nfs/dbraw/zinc/57/86/18/374578618.db2.gz YAYNKHRLJLTRNQ-UHFFFAOYSA-N 1 1 261.756 2.805 50 0 CFAAMO Cc1[nH+]cn(Cc2nc(-c3ccc(F)cc3)no2)c1C ZINC000079090707 374592896 /nfs/dbraw/zinc/59/28/96/374592896.db2.gz YLMRHEGPKHANID-UHFFFAOYSA-N 1 1 272.283 2.737 50 0 CFAAMO COc1cccc([C@@H](C)[N@H+](C)Cc2cnccn2)c1 ZINC000079438587 374611746 /nfs/dbraw/zinc/61/17/46/374611746.db2.gz GSXXEGUSYWVFOS-GFCCVEGCSA-N 1 1 257.337 2.678 50 0 CFAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2cnccn2)c1 ZINC000079438587 374611748 /nfs/dbraw/zinc/61/17/48/374611748.db2.gz GSXXEGUSYWVFOS-GFCCVEGCSA-N 1 1 257.337 2.678 50 0 CFAAMO C[C@@H]1C[C@H](NCc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338357 374649906 /nfs/dbraw/zinc/64/99/06/374649906.db2.gz MZSLYYFQKYPXIQ-GDBMZVCRSA-N 1 1 284.407 2.552 50 0 CFAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)Cc2cccs2)no1 ZINC000081574126 374707910 /nfs/dbraw/zinc/70/79/10/374707910.db2.gz JPXRLYFLOQLSNH-SNVBAGLBSA-N 1 1 293.392 2.546 50 0 CFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)Cc2cccs2)no1 ZINC000081574126 374707914 /nfs/dbraw/zinc/70/79/14/374707914.db2.gz JPXRLYFLOQLSNH-SNVBAGLBSA-N 1 1 293.392 2.546 50 0 CFAAMO CCc1nsc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000089295523 374895140 /nfs/dbraw/zinc/89/51/40/374895140.db2.gz CERAFXNNQBXEMP-NEPJUHHUSA-N 1 1 280.441 2.552 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000089375339 374898130 /nfs/dbraw/zinc/89/81/30/374898130.db2.gz GASUSFSUFUOXLM-NEPJUHHUSA-N 1 1 285.844 2.855 50 0 CFAAMO Cc1cc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)on1 ZINC000089606898 374928207 /nfs/dbraw/zinc/92/82/07/374928207.db2.gz DPNAIOHLUZMDMB-CYBMUJFWSA-N 1 1 252.358 2.620 50 0 CFAAMO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000089688778 374937663 /nfs/dbraw/zinc/93/76/63/374937663.db2.gz VUBIDVFFVQAHLR-HOTGVXAUSA-N 1 1 295.448 2.701 50 0 CFAAMO CC(C)c1noc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000089893651 374965600 /nfs/dbraw/zinc/96/56/00/374965600.db2.gz NFELKWCCNZAHEL-OLZOCXBDSA-N 1 1 278.400 2.645 50 0 CFAAMO Cc1nc(N[C@@H]2CCOC3(CCOCC3)C2)c(C)c(C)[nH+]1 ZINC000091645832 375054806 /nfs/dbraw/zinc/05/48/06/375054806.db2.gz CAGGFNINBBVJBC-CQSZACIVSA-N 1 1 291.395 2.542 50 0 CFAAMO CCc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)o1 ZINC000092967621 375170375 /nfs/dbraw/zinc/17/03/75/375170375.db2.gz CZLMJJHVAKBDRP-ZDUSSCGKSA-N 1 1 259.353 2.876 50 0 CFAAMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccsc3)C2)cn1 ZINC000093870581 375324994 /nfs/dbraw/zinc/32/49/94/375324994.db2.gz ZKNNLQFEKPRDEZ-GFCCVEGCSA-N 1 1 261.394 2.546 50 0 CFAAMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093814068 375314651 /nfs/dbraw/zinc/31/46/51/375314651.db2.gz FXSIQDBZUMNEMX-INIZCTEOSA-N 1 1 272.348 2.553 50 0 CFAAMO CCCN1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422839 375360215 /nfs/dbraw/zinc/36/02/15/375360215.db2.gz GMUOHQKORQYQND-CQSZACIVSA-N 1 1 268.445 2.797 50 0 CFAAMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000094433553 375360937 /nfs/dbraw/zinc/36/09/37/375360937.db2.gz ZECYFNBJTFMRMD-HZPDHXFCSA-N 1 1 259.397 2.530 50 0 CFAAMO c1[nH]nc2cccc(-c3nc([C@H]4CCCCC[NH2+]4)no3)c12 ZINC000096001581 375466373 /nfs/dbraw/zinc/46/63/73/375466373.db2.gz DLLJFMPCSMQFMM-CYBMUJFWSA-N 1 1 283.335 2.818 50 0 CFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NC1Cc2ccccc2C1 ZINC000095363922 375421766 /nfs/dbraw/zinc/42/17/66/375421766.db2.gz DSGXPFPINUAFKE-CYBMUJFWSA-N 1 1 297.402 2.851 50 0 CFAAMO Cc1ccc(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000095372097 375422946 /nfs/dbraw/zinc/42/29/46/375422946.db2.gz GXFVKUAALYDXHN-CQSZACIVSA-N 1 1 278.396 2.511 50 0 CFAAMO CC(C)SCCNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095374086 375423026 /nfs/dbraw/zinc/42/30/26/375423026.db2.gz OMIRMFJUYRAMSC-AWEZNQCLSA-N 1 1 298.427 2.686 50 0 CFAAMO Cc1cccc([C@H](C(=O)NC(C2CC2)C2CC2)[NH+](C)C)c1 ZINC000095384698 375426907 /nfs/dbraw/zinc/42/69/07/375426907.db2.gz JNMTWRQKFSGJOQ-QGZVFWFLSA-N 1 1 286.419 2.903 50 0 CFAAMO c1c(Cc2ccccc2)nn2c1C[N@@H+](CC1CC1)CC2 ZINC000096153496 375470535 /nfs/dbraw/zinc/47/05/35/375470535.db2.gz JQLCOMZUCLKSGD-UHFFFAOYSA-N 1 1 267.376 2.700 50 0 CFAAMO O=C(NC1CC1)[C@@H]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000095408626 375434725 /nfs/dbraw/zinc/43/47/25/375434725.db2.gz SXHXUVCHTDJEGB-PWSUYJOCSA-N 1 1 293.798 2.984 50 0 CFAAMO C[C@@H](c1ccncc1)[NH+]1CCC(NCc2ccccn2)CC1 ZINC000095431718 375446924 /nfs/dbraw/zinc/44/69/24/375446924.db2.gz DGDKTXVRBWJNGX-HNNXBMFYSA-N 1 1 296.418 2.792 50 0 CFAAMO CC[N@H+](CCc1nccs1)Cc1nc(C)c(C)o1 ZINC000095436598 375449634 /nfs/dbraw/zinc/44/96/34/375449634.db2.gz SQMMBTDOMOADTP-UHFFFAOYSA-N 1 1 265.382 2.813 50 0 CFAAMO CC[N@@H+](CCc1nccs1)Cc1nc(C)c(C)o1 ZINC000095436598 375449640 /nfs/dbraw/zinc/44/96/40/375449640.db2.gz SQMMBTDOMOADTP-UHFFFAOYSA-N 1 1 265.382 2.813 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC000095451839 375454870 /nfs/dbraw/zinc/45/48/70/375454870.db2.gz XIXCPLCKXQOZPZ-AVGNSLFASA-N 1 1 293.411 2.743 50 0 CFAAMO CC[C@H](C)c1cc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC000095451839 375454875 /nfs/dbraw/zinc/45/48/75/375454875.db2.gz XIXCPLCKXQOZPZ-AVGNSLFASA-N 1 1 293.411 2.743 50 0 CFAAMO C[C@@](O)(C1CC[NH+](Cc2cncs2)CC1)C(F)(F)F ZINC000097162312 375533636 /nfs/dbraw/zinc/53/36/36/375533636.db2.gz PZKFYUQXSJYXNA-LLVKDONJSA-N 1 1 294.342 2.668 50 0 CFAAMO FC(F)(F)c1ccccc1C[NH2+][C@H]1CCCn2ncnc21 ZINC000096493690 375488789 /nfs/dbraw/zinc/48/87/89/375488789.db2.gz HAWIXASQOJKCIF-LBPRGKRZSA-N 1 1 296.296 2.922 50 0 CFAAMO Cn1nccc1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000097102361 375518321 /nfs/dbraw/zinc/51/83/21/375518321.db2.gz UVEBGJUJJOFJPC-GOSISDBHSA-N 1 1 298.434 2.564 50 0 CFAAMO Cn1nccc1CNC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000097102361 375518326 /nfs/dbraw/zinc/51/83/26/375518326.db2.gz UVEBGJUJJOFJPC-GOSISDBHSA-N 1 1 298.434 2.564 50 0 CFAAMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000097372975 375553966 /nfs/dbraw/zinc/55/39/66/375553966.db2.gz FOYAKIPCQDYRNE-HZSPNIEDSA-N 1 1 262.401 2.778 50 0 CFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000097393973 375558880 /nfs/dbraw/zinc/55/88/80/375558880.db2.gz LLIVKKDOPCRFOM-HNNXBMFYSA-N 1 1 294.826 2.873 50 0 CFAAMO C[C@H](C[N@@H+](C)CC1(CO)CCOCC1)c1ccccc1 ZINC000097499624 375565964 /nfs/dbraw/zinc/56/59/64/375565964.db2.gz TZPPCZOQVOJXMP-OAHLLOKOSA-N 1 1 277.408 2.511 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)NC3=O)s1 ZINC000097594704 375570131 /nfs/dbraw/zinc/57/01/31/375570131.db2.gz JLFRSDRULAPRSG-OLZOCXBDSA-N 1 1 292.448 2.657 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000097635128 375575446 /nfs/dbraw/zinc/57/54/46/375575446.db2.gz UOLCTJNRDZJJEP-TXTHVTMNSA-N 1 1 298.390 2.706 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC000097638051 375575848 /nfs/dbraw/zinc/57/58/48/375575848.db2.gz VDXCNTMALPYFDL-CQSZACIVSA-N 1 1 299.374 2.556 50 0 CFAAMO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000100008902 375611892 /nfs/dbraw/zinc/61/18/92/375611892.db2.gz JYIFMNXUMIYQHE-FICVDOATSA-N 1 1 288.391 2.642 50 0 CFAAMO Cc1ccc(OC2CC[NH+](Cc3ccnn3C)CC2)cc1 ZINC000130213771 377524106 /nfs/dbraw/zinc/52/41/06/377524106.db2.gz SBWDXLCPJLNKDG-UHFFFAOYSA-N 1 1 285.391 2.772 50 0 CFAAMO Cc1nc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)oc1C ZINC000132552695 377851932 /nfs/dbraw/zinc/85/19/32/377851932.db2.gz RNOPJYSCGXWOFP-NSHDSACASA-N 1 1 252.358 2.727 50 0 CFAAMO Cc1cc(Cl)ccc1C[N@H+](C)C1CCS(=O)CC1 ZINC000136208602 378189210 /nfs/dbraw/zinc/18/92/10/378189210.db2.gz NKXGPHHEGMKBDO-UHFFFAOYSA-N 1 1 285.840 2.991 50 0 CFAAMO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000162335908 378907269 /nfs/dbraw/zinc/90/72/69/378907269.db2.gz LLKJWTTWVDYEQH-YPMHNXCESA-N 1 1 279.384 2.632 50 0 CFAAMO c1ccc(N2CCC[N@H+](C[C@H]3CCCOC3)CC2)cc1 ZINC000334199352 378914731 /nfs/dbraw/zinc/91/47/31/378914731.db2.gz NICOUHDFSUJMSC-MRXNPFEDSA-N 1 1 274.408 2.625 50 0 CFAAMO Cc1ccc(F)c(C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000334270214 379009022 /nfs/dbraw/zinc/00/90/22/379009022.db2.gz FEWVGEIULFKZGV-ZYHUDNBSSA-N 1 1 250.317 2.737 50 0 CFAAMO Cc1c(O)ccc2c(C[N@@H+](C)CC3CC3)cc(=O)oc12 ZINC000048342536 412901622 /nfs/dbraw/zinc/90/16/22/412901622.db2.gz ZZRCNGLMHQLFJB-UHFFFAOYSA-N 1 1 273.332 2.649 50 0 CFAAMO c1ccc(COCCc2noc([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000169676513 379108078 /nfs/dbraw/zinc/10/80/78/379108078.db2.gz JMRSAYSGYNBOCM-CQSZACIVSA-N 1 1 287.363 2.644 50 0 CFAAMO CCN(C(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C)C1CCCCC1 ZINC000170631151 379130759 /nfs/dbraw/zinc/13/07/59/379130759.db2.gz RFUKKFHNOLOTFL-UONOGXRCSA-N 1 1 298.496 2.993 50 0 CFAAMO C[C@H](C[N@@H+]1CCn2cnnc2C1)c1cccc(Cl)c1 ZINC000170087066 379115944 /nfs/dbraw/zinc/11/59/44/379115944.db2.gz AHVYOJGTVVBNHP-LLVKDONJSA-N 1 1 276.771 2.551 50 0 CFAAMO C[C@H](C[N@H+]1CCn2cnnc2C1)c1cccc(Cl)c1 ZINC000170087066 379115951 /nfs/dbraw/zinc/11/59/51/379115951.db2.gz AHVYOJGTVVBNHP-LLVKDONJSA-N 1 1 276.771 2.551 50 0 CFAAMO C=CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000408525928 380942447 /nfs/dbraw/zinc/94/24/47/380942447.db2.gz QDCMTSNREPSPKI-SJORKVTESA-N 1 1 284.403 2.686 50 0 CFAAMO COCCOCC[N@H+]1CCC2(C1)CCCCCC2 ZINC000368397752 381011712 /nfs/dbraw/zinc/01/17/12/381011712.db2.gz PGHGCQJTODOOFT-UHFFFAOYSA-N 1 1 255.402 2.696 50 0 CFAAMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000049396733 412941353 /nfs/dbraw/zinc/94/13/53/412941353.db2.gz QPQDHXBVDPANHI-AWEZNQCLSA-N 1 1 275.396 2.847 50 0 CFAAMO Cc1cc(C)n2c(C[N@@H+](C)[C@@H](C)c3cccnc3)cnc2n1 ZINC000183717709 381311310 /nfs/dbraw/zinc/31/13/10/381311310.db2.gz GAPGINQTYZWMBY-AWEZNQCLSA-N 1 1 295.390 2.934 50 0 CFAAMO Cc1cc(C)n2c(C[N@H+](C)[C@@H](C)c3cccnc3)cnc2n1 ZINC000183717709 381311314 /nfs/dbraw/zinc/31/13/14/381311314.db2.gz GAPGINQTYZWMBY-AWEZNQCLSA-N 1 1 295.390 2.934 50 0 CFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000298502282 381653647 /nfs/dbraw/zinc/65/36/47/381653647.db2.gz OORUSLNETMVRCS-KBPBESRZSA-N 1 1 278.783 2.697 50 0 CFAAMO Cc1ccsc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188409406 382409885 /nfs/dbraw/zinc/40/98/85/382409885.db2.gz AOLIHXBLYQZVGF-ZDUSSCGKSA-N 1 1 261.394 2.918 50 0 CFAAMO Cc1csc2c1ncnc2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000189984594 382648609 /nfs/dbraw/zinc/64/86/09/382648609.db2.gz PVHNEEVSIIMZOO-NEPJUHHUSA-N 1 1 288.420 2.673 50 0 CFAAMO Cc1cnc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192144785 382705149 /nfs/dbraw/zinc/70/51/49/382705149.db2.gz RLWKNRFZBKMYTE-DZGCQCFKSA-N 1 1 294.301 2.881 50 0 CFAAMO Cc1c[nH+]c(CCNC(=O)c2ccoc2)n1C1CCCC1 ZINC000575555149 382773646 /nfs/dbraw/zinc/77/36/46/382773646.db2.gz ZCIQIVPGCJBJDJ-UHFFFAOYSA-N 1 1 287.363 2.872 50 0 CFAAMO COc1cccc2c1OCCC[N@@H+](Cc1ccncc1)C2 ZINC000214979489 382777662 /nfs/dbraw/zinc/77/76/62/382777662.db2.gz KRSFRPLKUDUURI-UHFFFAOYSA-N 1 1 284.359 2.875 50 0 CFAAMO Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000215172870 382778196 /nfs/dbraw/zinc/77/81/96/382778196.db2.gz UPZOSYYMJVRYIQ-XYHHVPKHSA-N 1 1 286.354 2.837 50 0 CFAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000215182292 382778216 /nfs/dbraw/zinc/77/82/16/382778216.db2.gz YEVQACRKHGPFLM-ZDUSSCGKSA-N 1 1 274.389 2.612 50 0 CFAAMO Cc1cc(C[N@@H+](C)Cc2ccccc2Cn2cccn2)on1 ZINC000215659524 382779555 /nfs/dbraw/zinc/77/95/55/382779555.db2.gz QMBZGBLENGCTQV-UHFFFAOYSA-N 1 1 296.374 2.860 50 0 CFAAMO Cc1cc(C[N@H+](C)Cc2ccccc2Cn2cccn2)on1 ZINC000215659524 382779556 /nfs/dbraw/zinc/77/95/56/382779556.db2.gz QMBZGBLENGCTQV-UHFFFAOYSA-N 1 1 296.374 2.860 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2OC)C1 ZINC000215866673 382780841 /nfs/dbraw/zinc/78/08/41/382780841.db2.gz WYOAQMIQFHAGOG-NSHDSACASA-N 1 1 299.798 2.826 50 0 CFAAMO CC[C@@H]1C=CC[N@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000215867902 382780927 /nfs/dbraw/zinc/78/09/27/382780927.db2.gz AFDPZYRPQDJEMK-GFCCVEGCSA-N 1 1 261.321 2.574 50 0 CFAAMO Cc1nccn1CC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000216115597 382782239 /nfs/dbraw/zinc/78/22/39/382782239.db2.gz NTXOSIIZQPQSKS-UHFFFAOYSA-N 1 1 261.344 2.771 50 0 CFAAMO CN(Cc1cscn1)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000216276825 382782625 /nfs/dbraw/zinc/78/26/25/382782625.db2.gz CENBLNVQXLTMSM-MRXNPFEDSA-N 1 1 287.432 2.632 50 0 CFAAMO CS[C@@H](C)CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000216311354 382783169 /nfs/dbraw/zinc/78/31/69/382783169.db2.gz OBSGUDXQSSSMSZ-NSHDSACASA-N 1 1 253.415 2.731 50 0 CFAAMO CC[C@]1(C)CCC[N@H+](Cc2nccn2CCOC)C1 ZINC000216473856 382783403 /nfs/dbraw/zinc/78/34/03/382783403.db2.gz WOIAFUUTKCZPIM-OAHLLOKOSA-N 1 1 265.401 2.542 50 0 CFAAMO CC[C@]1(C)CCC[N@@H+](Cc2nccn2CCOC)C1 ZINC000216473856 382783405 /nfs/dbraw/zinc/78/34/05/382783405.db2.gz WOIAFUUTKCZPIM-OAHLLOKOSA-N 1 1 265.401 2.542 50 0 CFAAMO COc1ccc2cc(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)ccc2c1 ZINC000194535213 382747303 /nfs/dbraw/zinc/74/73/03/382747303.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 1 1 296.414 2.842 50 0 CFAAMO COc1ccc2cc(CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ccc2c1 ZINC000194535213 382747304 /nfs/dbraw/zinc/74/73/04/382747304.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 1 1 296.414 2.842 50 0 CFAAMO COc1ccc2cc(C[N@H+]3C[C@H]4CN(C)C[C@H]4C3)ccc2c1 ZINC000194535213 382747305 /nfs/dbraw/zinc/74/73/05/382747305.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 1 1 296.414 2.842 50 0 CFAAMO COc1ccc2cc(C[N@@H+]3C[C@H]4CN(C)C[C@H]4C3)ccc2c1 ZINC000194535213 382747306 /nfs/dbraw/zinc/74/73/06/382747306.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 1 1 296.414 2.842 50 0 CFAAMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cscn2)C1 ZINC000194862965 382756439 /nfs/dbraw/zinc/75/64/39/382756439.db2.gz XSHCJCBWBJKNST-AWEZNQCLSA-N 1 1 282.409 2.554 50 0 CFAAMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cscn2)C1 ZINC000194862965 382756440 /nfs/dbraw/zinc/75/64/40/382756440.db2.gz XSHCJCBWBJKNST-AWEZNQCLSA-N 1 1 282.409 2.554 50 0 CFAAMO C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-c4ccco4)c3)C[C@H]21 ZINC000220489140 382796424 /nfs/dbraw/zinc/79/64/24/382796424.db2.gz FKSVZXKBRHJMRO-JKSUJKDBSA-N 1 1 296.370 2.723 50 0 CFAAMO CCN1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000222107742 382800763 /nfs/dbraw/zinc/80/07/63/382800763.db2.gz UWGIMAMCYKMEOJ-BBRMVZONSA-N 1 1 264.388 2.688 50 0 CFAAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000222119986 382800832 /nfs/dbraw/zinc/80/08/32/382800832.db2.gz PAPBWLBFFVLBHD-UONOGXRCSA-N 1 1 288.439 2.695 50 0 CFAAMO c1c2ccccc2oc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000225331509 382814306 /nfs/dbraw/zinc/81/43/06/382814306.db2.gz RLSLTUIIJGRIEC-AWEZNQCLSA-N 1 1 256.349 2.713 50 0 CFAAMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc(F)c1 ZINC000225323830 382814384 /nfs/dbraw/zinc/81/43/84/382814384.db2.gz KGQDKQBTTVUIMI-BBRMVZONSA-N 1 1 262.372 2.884 50 0 CFAAMO C[C@@H]1CCC[C@@H](OC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000225460439 382816361 /nfs/dbraw/zinc/81/63/61/382816361.db2.gz LZQVCOLQHITPFC-FRRDWIJNSA-N 1 1 271.426 2.546 50 0 CFAAMO C[C@@H]1CCC[C@@H](OC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000225460439 382816363 /nfs/dbraw/zinc/81/63/63/382816363.db2.gz LZQVCOLQHITPFC-FRRDWIJNSA-N 1 1 271.426 2.546 50 0 CFAAMO C[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000225466449 382816798 /nfs/dbraw/zinc/81/67/98/382816798.db2.gz MZWVLABMFDWUCH-CYBMUJFWSA-N 1 1 257.736 2.683 50 0 CFAAMO C[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000225466449 382816799 /nfs/dbraw/zinc/81/67/99/382816799.db2.gz MZWVLABMFDWUCH-CYBMUJFWSA-N 1 1 257.736 2.683 50 0 CFAAMO Cc1csc(C(=O)NCCn2cc[nH+]c2C2CC2)c1 ZINC000225567161 382818410 /nfs/dbraw/zinc/81/84/10/382818410.db2.gz RILSGECFNXDPJB-UHFFFAOYSA-N 1 1 275.377 2.560 50 0 CFAAMO Brc1ccc(C[N@@H+]2CCCSCC2)o1 ZINC000225568057 382818479 /nfs/dbraw/zinc/81/84/79/382818479.db2.gz WVPXWKTVEHFSOC-UHFFFAOYSA-N 1 1 276.199 2.981 50 0 CFAAMO Brc1ccc(C[N@H+]2CCCSCC2)o1 ZINC000225568057 382818481 /nfs/dbraw/zinc/81/84/81/382818481.db2.gz WVPXWKTVEHFSOC-UHFFFAOYSA-N 1 1 276.199 2.981 50 0 CFAAMO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ncnn1CCF ZINC000225644725 382819930 /nfs/dbraw/zinc/81/99/30/382819930.db2.gz RXAOLCJKKGTCMN-LBPRGKRZSA-N 1 1 268.380 2.648 50 0 CFAAMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ncnn1CCF ZINC000225644725 382819932 /nfs/dbraw/zinc/81/99/32/382819932.db2.gz RXAOLCJKKGTCMN-LBPRGKRZSA-N 1 1 268.380 2.648 50 0 CFAAMO Cc1cnc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000229837060 382853693 /nfs/dbraw/zinc/85/36/93/382853693.db2.gz BFPYAWIHXQWPTL-QZTJIDSGSA-N 1 1 297.402 2.873 50 0 CFAAMO CCOc1ccc(C[N@H+](C)CN2C(=O)C[C@H](C)[C@H]2C)cc1 ZINC000230164381 382856626 /nfs/dbraw/zinc/85/66/26/382856626.db2.gz HEKDFCSZXXVXOC-UONOGXRCSA-N 1 1 290.407 2.732 50 0 CFAAMO CCOc1ccc(C[N@@H+](C)CN2C(=O)C[C@H](C)[C@H]2C)cc1 ZINC000230164381 382856629 /nfs/dbraw/zinc/85/66/29/382856629.db2.gz HEKDFCSZXXVXOC-UONOGXRCSA-N 1 1 290.407 2.732 50 0 CFAAMO O[C@H](C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)c(F)c1 ZINC000230250252 382857871 /nfs/dbraw/zinc/85/78/71/382857871.db2.gz CQBXLOKIOYENSS-BZUAXINKSA-N 1 1 297.345 2.642 50 0 CFAAMO O[C@H](C[N@H+]1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)c(F)c1 ZINC000230250252 382857873 /nfs/dbraw/zinc/85/78/73/382857873.db2.gz CQBXLOKIOYENSS-BZUAXINKSA-N 1 1 297.345 2.642 50 0 CFAAMO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000421843620 382942707 /nfs/dbraw/zinc/94/27/07/382942707.db2.gz QYGBLYSFHYMEFA-UWVGGRQHSA-N 1 1 296.777 2.889 50 0 CFAAMO CC(C)[N@H+]1CCCC[C@H]1Cn1nnc(-c2ccccc2)n1 ZINC000241588574 382984042 /nfs/dbraw/zinc/98/40/42/382984042.db2.gz PEEADVNGOZHTQN-HNNXBMFYSA-N 1 1 285.395 2.603 50 0 CFAAMO CCCO[C@@H]1CCC[N@@H+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000242156012 382984840 /nfs/dbraw/zinc/98/48/40/382984840.db2.gz WVBLTBAGBRACKT-NEPJUHHUSA-N 1 1 283.334 2.581 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000242346886 382986024 /nfs/dbraw/zinc/98/60/24/382986024.db2.gz ZJXQGAXXZOVGMP-FVQBIDKESA-N 1 1 278.440 2.898 50 0 CFAAMO c1cncc(CCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000244673688 382989093 /nfs/dbraw/zinc/98/90/93/382989093.db2.gz HTVFPTZBRMXYLB-HZPDHXFCSA-N 1 1 260.381 2.658 50 0 CFAAMO Fc1ccc(C2=CC[N@@H+](C[C@H]3CCOC3)CC2)cc1 ZINC000244748655 382991043 /nfs/dbraw/zinc/99/10/43/382991043.db2.gz OLVRCPJMXLVRHN-CYBMUJFWSA-N 1 1 261.340 2.951 50 0 CFAAMO COc1cc(C)ccc1OCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000244707933 382991343 /nfs/dbraw/zinc/99/13/43/382991343.db2.gz KKJASWAGHFGOMM-HNNXBMFYSA-N 1 1 293.407 2.883 50 0 CFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)CCCc1ccco1 ZINC000244719261 382991455 /nfs/dbraw/zinc/99/14/55/382991455.db2.gz MAALSPYOACYKEL-ZDUSSCGKSA-N 1 1 259.353 2.565 50 0 CFAAMO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N1C1CC1 ZINC000246325199 383072532 /nfs/dbraw/zinc/07/25/32/383072532.db2.gz SCEBQEXKOXURIY-DOTOQJQBSA-N 1 1 284.403 2.662 50 0 CFAAMO C[C@H](NCc1ccns1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117777 383114976 /nfs/dbraw/zinc/11/49/76/383114976.db2.gz WJNMCDGBJXWADE-WFASDCNBSA-N 1 1 275.421 2.924 50 0 CFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000248127630 383213110 /nfs/dbraw/zinc/21/31/10/383213110.db2.gz MHFLVTBMBZGDNI-IAGOWNOFSA-N 1 1 290.451 2.898 50 0 CFAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1cccnc1 ZINC000247942017 383200566 /nfs/dbraw/zinc/20/05/66/383200566.db2.gz NRNAWPNJVANNJB-KBRIMQKVSA-N 1 1 287.407 2.618 50 0 CFAAMO O=C([C@H]1CCCc2ccccc21)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000247959265 383201569 /nfs/dbraw/zinc/20/15/69/383201569.db2.gz WOKFBZXQLBMJOX-WMZOPIPTSA-N 1 1 298.430 2.803 50 0 CFAAMO C[C@H](CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)n1cccc1 ZINC000248101013 383211021 /nfs/dbraw/zinc/21/10/21/383211021.db2.gz DWKVCBYVJXQVEZ-BZUAXINKSA-N 1 1 289.423 2.524 50 0 CFAAMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000247347383 383165547 /nfs/dbraw/zinc/16/55/47/383165547.db2.gz OPVYHCXHJDUILO-PWSUYJOCSA-N 1 1 295.333 2.665 50 0 CFAAMO CCOCC[N@H+]1CCN(C/C=C\c2ccccc2)C[C@H]1C ZINC000248319371 383223383 /nfs/dbraw/zinc/22/33/83/383223383.db2.gz QGSPMAVROBEOBD-CGQZWFTASA-N 1 1 288.435 2.742 50 0 CFAAMO CC(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000249047030 383321694 /nfs/dbraw/zinc/32/16/94/383321694.db2.gz WKFQLSWBGAJWCD-RHSMWYFYSA-N 1 1 274.408 2.781 50 0 CFAAMO CCn1ccc(C[N@H+](CC)CCOc2ccccc2)n1 ZINC000252503675 383415153 /nfs/dbraw/zinc/41/51/53/383415153.db2.gz VFNBEKCSBIVORG-UHFFFAOYSA-N 1 1 273.380 2.804 50 0 CFAAMO CCn1ccc(C[N@@H+](CC)CCOc2ccccc2)n1 ZINC000252503675 383415156 /nfs/dbraw/zinc/41/51/56/383415156.db2.gz VFNBEKCSBIVORG-UHFFFAOYSA-N 1 1 273.380 2.804 50 0 CFAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCSC(C)(C)C)[C@@H]2C1 ZINC000252489475 383412957 /nfs/dbraw/zinc/41/29/57/383412957.db2.gz JRTAWNCELQBPRA-MCIONIFRSA-N 1 1 287.469 2.786 50 0 CFAAMO CCN(CC[NH+]1CCCC1)C(=O)c1ccc(O)c(Cl)c1 ZINC000252489444 383412969 /nfs/dbraw/zinc/41/29/69/383412969.db2.gz JRFHRBDZWLBTMY-UHFFFAOYSA-N 1 1 296.798 2.604 50 0 CFAAMO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000252499320 383414403 /nfs/dbraw/zinc/41/44/03/383414403.db2.gz RYTIUXYKYDKPNQ-GFCCVEGCSA-N 1 1 286.379 2.713 50 0 CFAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000252499320 383414407 /nfs/dbraw/zinc/41/44/07/383414407.db2.gz RYTIUXYKYDKPNQ-GFCCVEGCSA-N 1 1 286.379 2.713 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)C3CC3)C2)n1C(C)C ZINC000257188790 383491659 /nfs/dbraw/zinc/49/16/59/383491659.db2.gz NDIAFUBYFKGEOM-AWEZNQCLSA-N 1 1 289.423 2.964 50 0 CFAAMO Cc1nonc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000265142777 383843035 /nfs/dbraw/zinc/84/30/35/383843035.db2.gz QUKFYUHFJRWQFS-UHFFFAOYSA-N 1 1 297.362 2.634 50 0 CFAAMO C[C@@H]1CCN(c2ncccn2)CC[N@H+]1Cc1ccccc1 ZINC000266237117 384123275 /nfs/dbraw/zinc/12/32/75/384123275.db2.gz VSQXKHDTJXVTSS-OAHLLOKOSA-N 1 1 282.391 2.577 50 0 CFAAMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)nn1 ZINC000283021626 385424890 /nfs/dbraw/zinc/42/48/90/385424890.db2.gz GXDFJFAOWFCMRQ-CZUORRHYSA-N 1 1 283.375 2.863 50 0 CFAAMO CCC[N@H+]1CCC[C@H](CNc2ncc(CC)cn2)C1 ZINC000095368031 184955313 /nfs/dbraw/zinc/95/53/13/184955313.db2.gz PXFILULMWDLJIJ-CQSZACIVSA-N 1 1 262.401 2.573 50 0 CFAAMO CC(=O)NCCC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000095377460 184958814 /nfs/dbraw/zinc/95/88/14/184958814.db2.gz XBZRJNKDEQYBMC-MRXNPFEDSA-N 1 1 260.381 2.658 50 0 CFAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000000212612 393449927 /nfs/dbraw/zinc/44/99/27/393449927.db2.gz UEKJVXUQMOCLNF-CQSZACIVSA-N 1 1 252.402 2.509 50 0 CFAAMO CC(C)Cc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)cc1 ZINC000012513704 393473569 /nfs/dbraw/zinc/47/35/69/393473569.db2.gz UZSXCDRZQATGQN-UHFFFAOYSA-N 1 1 274.408 2.549 50 0 CFAAMO CC(C)=CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012718396 393475316 /nfs/dbraw/zinc/47/53/16/393475316.db2.gz DHPGRTMIABHNOM-KRWDZBQOSA-N 1 1 276.424 2.677 50 0 CFAAMO CCC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012574234 393475968 /nfs/dbraw/zinc/47/59/68/393475968.db2.gz YEMTTZPXBYSFAR-ZDUSSCGKSA-N 1 1 252.402 2.700 50 0 CFAAMO O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000024515292 393491933 /nfs/dbraw/zinc/49/19/33/393491933.db2.gz KMXHAAODNRQSKS-QGZVFWFLSA-N 1 1 280.371 2.796 50 0 CFAAMO C(C1CCC2(CC1)OCCO2)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000190191328 393579324 /nfs/dbraw/zinc/57/93/24/393579324.db2.gz KUKWPYSPMSHOFF-CVEARBPZSA-N 1 1 295.423 2.563 50 0 CFAAMO CC(C)Oc1ccccc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000069417832 393636684 /nfs/dbraw/zinc/63/66/84/393636684.db2.gz PAYXOQCNESJZGV-DZGCQCFKSA-N 1 1 290.407 2.560 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193997121 393670954 /nfs/dbraw/zinc/67/09/54/393670954.db2.gz MOSCUTPKIPENCG-HNNXBMFYSA-N 1 1 285.391 2.977 50 0 CFAAMO Cc1cccc(OCC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000193997121 393670957 /nfs/dbraw/zinc/67/09/57/393670957.db2.gz MOSCUTPKIPENCG-HNNXBMFYSA-N 1 1 285.391 2.977 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000193997121 393670960 /nfs/dbraw/zinc/67/09/60/393670960.db2.gz MOSCUTPKIPENCG-HNNXBMFYSA-N 1 1 285.391 2.977 50 0 CFAAMO C[N@H+](C/C=C/c1ccccc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084093375 393746242 /nfs/dbraw/zinc/74/62/42/393746242.db2.gz NTOUULSBZFSECU-ZHANPKHBSA-N 1 1 293.432 2.597 50 0 CFAAMO C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084093375 393746244 /nfs/dbraw/zinc/74/62/44/393746244.db2.gz NTOUULSBZFSECU-ZHANPKHBSA-N 1 1 293.432 2.597 50 0 CFAAMO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000222488305 393762910 /nfs/dbraw/zinc/76/29/10/393762910.db2.gz YNHPVKYUSWWEAF-DGADGQDISA-N 1 1 269.429 2.530 50 0 CFAAMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(F)c1 ZINC000090227698 393776925 /nfs/dbraw/zinc/77/69/25/393776925.db2.gz FZEHNCPVZNEIKH-QMTHXVAHSA-N 1 1 274.343 2.911 50 0 CFAAMO c1ccc2c(c1)C[N@H+](CCC1OCCO1)CC21CCC1 ZINC000239722358 393798206 /nfs/dbraw/zinc/79/82/06/393798206.db2.gz CCLVNUAVFWOLIG-UHFFFAOYSA-N 1 1 273.376 2.687 50 0 CFAAMO Cc1ccc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)o1 ZINC000095391941 393811591 /nfs/dbraw/zinc/81/15/91/393811591.db2.gz ZKXSWCIYGMPADQ-SJLPKXTDSA-N 1 1 299.370 2.559 50 0 CFAAMO CCN1CCC([NH2+]C/C=C\c2ccccc2OC)CC1 ZINC000096297184 393818483 /nfs/dbraw/zinc/81/84/83/393818483.db2.gz WDLJWZYNKVDFSV-VURMDHGXSA-N 1 1 274.408 2.782 50 0 CFAAMO CC[NH+]1CCC(NC/C=C\c2ccccc2OC)CC1 ZINC000096297184 393818490 /nfs/dbraw/zinc/81/84/90/393818490.db2.gz WDLJWZYNKVDFSV-VURMDHGXSA-N 1 1 274.408 2.782 50 0 CFAAMO OCCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407694 393823004 /nfs/dbraw/zinc/82/30/04/393823004.db2.gz YWUTVHNHCHOZPX-CYBMUJFWSA-N 1 1 271.813 2.812 50 0 CFAAMO OCCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407694 393823008 /nfs/dbraw/zinc/82/30/08/393823008.db2.gz YWUTVHNHCHOZPX-CYBMUJFWSA-N 1 1 271.813 2.812 50 0 CFAAMO Cc1nccn1CCC[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000252495975 393936099 /nfs/dbraw/zinc/93/60/99/393936099.db2.gz PDZZNCRXEYHORW-UHFFFAOYSA-N 1 1 285.391 2.952 50 0 CFAAMO CCC1=NO[C@H](C[NH+]2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000252497064 393936241 /nfs/dbraw/zinc/93/62/41/393936241.db2.gz PYCNLRQZZAVYBQ-ZDUSSCGKSA-N 1 1 284.363 2.517 50 0 CFAAMO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccnc1 ZINC000272918912 394032221 /nfs/dbraw/zinc/03/22/21/394032221.db2.gz ILNIQBYJXGBXHA-ZDUSSCGKSA-N 1 1 254.333 2.865 50 0 CFAAMO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccnc1 ZINC000272918912 394032224 /nfs/dbraw/zinc/03/22/24/394032224.db2.gz ILNIQBYJXGBXHA-ZDUSSCGKSA-N 1 1 254.333 2.865 50 0 CFAAMO CCCc1[nH+]ccn1CC(=O)c1ccc2c(c1)CCO2 ZINC000153548113 394285868 /nfs/dbraw/zinc/28/58/68/394285868.db2.gz AANINAUNKIZMGD-UHFFFAOYSA-N 1 1 270.332 2.653 50 0 CFAAMO C[C@@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)c1nccn1C ZINC000647316696 395287000 /nfs/dbraw/zinc/28/70/00/395287000.db2.gz AWOGHJOGMIDAKO-SECBINFHSA-N 1 1 295.289 2.592 50 0 CFAAMO FC1(F)CC[NH+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000215096227 397619180 /nfs/dbraw/zinc/61/91/80/397619180.db2.gz KTLSNKPDVOVUAG-UHFFFAOYSA-N 1 1 290.317 2.770 50 0 CFAAMO Cc1nnc(NC[C@@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000825296797 782008298 /nfs/dbraw/zinc/00/82/98/782008298.db2.gz TULTZRVGXRVOIL-LBPRGKRZSA-N 1 1 280.441 2.913 50 0 CFAAMO CC(C)(C)n1cc(C[NH2+][C@H](CO)c2ccsc2)cn1 ZINC000349611987 162995992 /nfs/dbraw/zinc/99/59/92/162995992.db2.gz PWMVHIDQKFDFBD-CYBMUJFWSA-N 1 1 279.409 2.523 50 0 CFAAMO CC[C@@H]1C[N@@H+](C)CC[C@@]1(OC(C)=O)c1ccccc1 ZINC000013152608 287185163 /nfs/dbraw/zinc/18/51/63/287185163.db2.gz LOWQPSFXEWFNSB-ZBFHGGJFSA-N 1 1 261.365 2.807 50 0 CFAAMO C[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000005059890 170062269 /nfs/dbraw/zinc/06/22/69/170062269.db2.gz KPPSRBNZVBWQQL-UHFFFAOYSA-N 1 1 259.378 2.562 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000006007634 170167978 /nfs/dbraw/zinc/16/79/78/170167978.db2.gz YETMFMQJTSAUTL-GFCCVEGCSA-N 1 1 274.364 2.560 50 0 CFAAMO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000006007634 170167980 /nfs/dbraw/zinc/16/79/80/170167980.db2.gz YETMFMQJTSAUTL-GFCCVEGCSA-N 1 1 274.364 2.560 50 0 CFAAMO c1nn(-c2ccccc2)nc1C[NH2+]Cc1ccccc1 ZINC000006650893 170222228 /nfs/dbraw/zinc/22/22/28/170222228.db2.gz FXFKTJWLYTXREK-UHFFFAOYSA-N 1 1 264.332 2.557 50 0 CFAAMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccnc2Cl)C1 ZINC000007063200 170265493 /nfs/dbraw/zinc/26/54/93/170265493.db2.gz HZXGDPTXHFMWAS-QWRGUYRKSA-N 1 1 281.787 2.651 50 0 CFAAMO C[N@@H+]([C@@H]1CC(=O)N(c2ccccc2)C1=O)C1CCCCC1 ZINC000020137104 171024284 /nfs/dbraw/zinc/02/42/84/171024284.db2.gz FKFWODBWXIEGEP-OAHLLOKOSA-N 1 1 286.375 2.583 50 0 CFAAMO O=C(C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020166398 171041054 /nfs/dbraw/zinc/04/10/54/171041054.db2.gz KOTBOSBJSHQFPV-UHFFFAOYSA-N 1 1 272.392 2.521 50 0 CFAAMO CC(C)CCN1CC[N@H+](C2CCCCC2)C[C@@H]1CCO ZINC000020202788 171066874 /nfs/dbraw/zinc/06/68/74/171066874.db2.gz HVZIPUYGFMSRMU-KRWDZBQOSA-N 1 1 282.472 2.734 50 0 CFAAMO CC(C)CC[N@@H+]1CCN(C2CCCCC2)C[C@@H]1CCO ZINC000020202788 171066875 /nfs/dbraw/zinc/06/68/75/171066875.db2.gz HVZIPUYGFMSRMU-KRWDZBQOSA-N 1 1 282.472 2.734 50 0 CFAAMO CC(C)CC[N@H+]1CCN(C2CCCCC2)C[C@@H]1CCO ZINC000020202788 171066877 /nfs/dbraw/zinc/06/68/77/171066877.db2.gz HVZIPUYGFMSRMU-KRWDZBQOSA-N 1 1 282.472 2.734 50 0 CFAAMO c1csc(C[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000020246074 171099461 /nfs/dbraw/zinc/09/94/61/171099461.db2.gz BXVFALIRTWORIS-UHFFFAOYSA-N 1 1 270.361 2.619 50 0 CFAAMO CC(C)Cc1ccc([C@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000020356318 171156649 /nfs/dbraw/zinc/15/66/49/171156649.db2.gz OFLNYFUTJBYDBD-HNNXBMFYSA-N 1 1 288.435 2.763 50 0 CFAAMO CC(C)CC[N@H+]1CCN(Cc2ccsc2)C[C@@H]1CCO ZINC000020537004 171241247 /nfs/dbraw/zinc/24/12/47/171241247.db2.gz FKRRBSWYRSWZAP-INIZCTEOSA-N 1 1 296.480 2.663 50 0 CFAAMO Cc1nc(CN(C)C(=O)CC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000020535788 171241308 /nfs/dbraw/zinc/24/13/08/171241308.db2.gz ZCYFMGXYZYZSLF-LBPRGKRZSA-N 1 1 295.452 2.532 50 0 CFAAMO C[C@@H]1C[NH+](CCOc2ccc3c(c2)CCC3)C[C@@H](C)O1 ZINC000020653437 171268685 /nfs/dbraw/zinc/26/86/85/171268685.db2.gz GMACMQQFZYBZSG-ZIAGYGMSSA-N 1 1 275.392 2.663 50 0 CFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000020948209 171281980 /nfs/dbraw/zinc/28/19/80/171281980.db2.gz ZZAWODUUVOUDNE-OAHLLOKOSA-N 1 1 268.360 2.537 50 0 CFAAMO COc1ccc(C[C@H]2C[N@@H+](CCCSC)CCO2)cc1 ZINC000020999838 171284039 /nfs/dbraw/zinc/28/40/39/171284039.db2.gz PKNPOSBQJSLZKY-INIZCTEOSA-N 1 1 295.448 2.692 50 0 CFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccnc1 ZINC000022402683 171386527 /nfs/dbraw/zinc/38/65/27/171386527.db2.gz IOTNOSKWQIUTDJ-HNNXBMFYSA-N 1 1 299.374 2.632 50 0 CFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccnc1 ZINC000022402682 171386550 /nfs/dbraw/zinc/38/65/50/171386550.db2.gz IOTNOSKWQIUTDJ-OAHLLOKOSA-N 1 1 299.374 2.632 50 0 CFAAMO Cc1ccc2c(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1 ZINC000022625868 171395295 /nfs/dbraw/zinc/39/52/95/171395295.db2.gz IEURTRHVCILARC-CHWSQXEVSA-N 1 1 287.359 2.711 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](CC(=O)N1CCc2ccccc21)C1CC1 ZINC000032814807 171752425 /nfs/dbraw/zinc/75/24/25/171752425.db2.gz XREDQRALSWVAPN-CYBMUJFWSA-N 1 1 284.403 2.839 50 0 CFAAMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cccc2c1OC(F)(F)O2 ZINC000655499794 414301891 /nfs/dbraw/zinc/30/18/91/414301891.db2.gz QHQDTCUDAQAZED-SECBINFHSA-N 1 1 296.273 2.879 50 0 CFAAMO Cc1cc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)nc(C)n1 ZINC000659849185 414586484 /nfs/dbraw/zinc/58/64/84/414586484.db2.gz OJFIQRVIZDTYRZ-HNNXBMFYSA-N 1 1 297.406 2.571 50 0 CFAAMO Cc1cc(NCc2ccnc(N3CCCC3)c2)nc(C)[nH+]1 ZINC000040490480 174291746 /nfs/dbraw/zinc/29/17/46/174291746.db2.gz INVSODDQMLITBM-UHFFFAOYSA-N 1 1 283.379 2.701 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CC=CCC2)cn1 ZINC000040539037 174321627 /nfs/dbraw/zinc/32/16/27/174321627.db2.gz BHAWKPLXALXTOW-ZDUSSCGKSA-N 1 1 282.347 2.871 50 0 CFAAMO C[N@@H+](Cc1cnc2ccccc2n1)[C@H]1CCSC1 ZINC000660128117 414667396 /nfs/dbraw/zinc/66/73/96/414667396.db2.gz JQHYDKCQJDZEBE-LBPRGKRZSA-N 1 1 259.378 2.567 50 0 CFAAMO Cn1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1=O ZINC000052106158 175532033 /nfs/dbraw/zinc/53/20/33/175532033.db2.gz FRHDXTKQKZMUAD-SFHVURJKSA-N 1 1 296.414 2.983 50 0 CFAAMO CCCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000071278846 176108137 /nfs/dbraw/zinc/10/81/37/176108137.db2.gz PQWFKYMDTBAXLJ-OAHLLOKOSA-N 1 1 274.408 2.711 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccnc(C(C)C)n3)C2)n1 ZINC000071746771 176258885 /nfs/dbraw/zinc/25/88/85/176258885.db2.gz QJVCBSFKKKSXAJ-MRXNPFEDSA-N 1 1 299.422 2.860 50 0 CFAAMO Cc1n[nH]cc1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071837279 176274058 /nfs/dbraw/zinc/27/40/58/176274058.db2.gz JBJJOJRXCUJMCH-QGZVFWFLSA-N 1 1 298.434 2.720 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000071870678 176283477 /nfs/dbraw/zinc/28/34/77/176283477.db2.gz NDBJHNNNPMEPGL-GJZGRUSLSA-N 1 1 287.407 2.965 50 0 CFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000071870704 176283771 /nfs/dbraw/zinc/28/37/71/176283771.db2.gz LMRAAHMLZFXBKZ-CABCVRRESA-N 1 1 287.407 2.965 50 0 CFAAMO Cc1csc([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CC2)n1 ZINC000072300349 176364623 /nfs/dbraw/zinc/36/46/23/176364623.db2.gz LLOMQNZVDHFELX-ZDUSSCGKSA-N 1 1 293.436 2.599 50 0 CFAAMO COC[C@@H](C)[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000072304858 176366065 /nfs/dbraw/zinc/36/60/65/176366065.db2.gz RBBDGXIARXXLSQ-MRXNPFEDSA-N 1 1 298.430 2.992 50 0 CFAAMO C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1Cl ZINC000079058575 177423798 /nfs/dbraw/zinc/42/37/98/177423798.db2.gz WGBGDNHLAHPPKB-NSHDSACASA-N 1 1 267.756 2.725 50 0 CFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2F)C1 ZINC000013669971 260074917 /nfs/dbraw/zinc/07/49/17/260074917.db2.gz OMSHIZWTKGLEFK-OKILXGFUSA-N 1 1 292.398 2.924 50 0 CFAAMO COc1ccc(Br)cc1[C@@H]1[NH2+]CCS1 ZINC000053993695 274105914 /nfs/dbraw/zinc/10/59/14/274105914.db2.gz DAMNTCVNVMDBSU-SNVBAGLBSA-N 1 1 274.183 2.793 50 0 CFAAMO CCc1cccc(CC)c1NC(=O)Cn1cc[nH+]c1C ZINC000029937682 260139432 /nfs/dbraw/zinc/13/94/32/260139432.db2.gz GSRXCQFTWFHDFL-UHFFFAOYSA-N 1 1 271.364 2.955 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000035292711 260150579 /nfs/dbraw/zinc/15/05/79/260150579.db2.gz YTDYZSCOKRCAOU-CVEARBPZSA-N 1 1 295.398 2.968 50 0 CFAAMO CC1(C)C[C@@]1(CNc1cc(N)[nH+]cn1)c1ccccc1 ZINC000827593183 782038423 /nfs/dbraw/zinc/03/84/23/782038423.db2.gz RCUZOQPPPPUJFS-MRXNPFEDSA-N 1 1 268.364 2.839 50 0 CFAAMO CC1(C)C[C@@]1(CNc1cc(N)nc[nH+]1)c1ccccc1 ZINC000827593183 782038432 /nfs/dbraw/zinc/03/84/32/782038432.db2.gz RCUZOQPPPPUJFS-MRXNPFEDSA-N 1 1 268.364 2.839 50 0 CFAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1)C1CCCC1 ZINC000827720659 782042293 /nfs/dbraw/zinc/04/22/93/782042293.db2.gz IMXAUYVZLMIAOE-AWEZNQCLSA-N 1 1 290.407 2.798 50 0 CFAAMO NC(=O)[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000026162312 274938406 /nfs/dbraw/zinc/93/84/06/274938406.db2.gz CCPKXFZSANQKJU-DLBZAZTESA-N 1 1 280.371 2.880 50 0 CFAAMO CC[NH+](CC)C[C@H](C)NCc1nc2ccc(C)cc2[nH]1 ZINC000067871636 276108764 /nfs/dbraw/zinc/10/87/64/276108764.db2.gz JHPSYOLRMPCJHF-ZDUSSCGKSA-N 1 1 274.412 2.691 50 0 CFAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC12CCC2 ZINC000072308790 276141432 /nfs/dbraw/zinc/14/14/32/276141432.db2.gz YYACWZFAFXQMQR-UHFFFAOYSA-N 1 1 290.382 2.803 50 0 CFAAMO COC(=O)CCN(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000069451228 277316677 /nfs/dbraw/zinc/31/66/77/277316677.db2.gz SJKBORIRXDXTCE-UHFFFAOYSA-N 1 1 296.455 2.524 50 0 CFAAMO CS[C@H](C)CC[N@H+](Cc1nccn1C)C1CC1 ZINC000215761258 278158840 /nfs/dbraw/zinc/15/88/40/278158840.db2.gz QSXFARHKAQWPKU-LLVKDONJSA-N 1 1 253.415 2.526 50 0 CFAAMO CS[C@H](C)CC[N@@H+](Cc1nccn1C)C1CC1 ZINC000215761258 278158841 /nfs/dbraw/zinc/15/88/41/278158841.db2.gz QSXFARHKAQWPKU-LLVKDONJSA-N 1 1 253.415 2.526 50 0 CFAAMO ClC1=CC[C@H]2C[N@@H+](CCN3CCCCC3)C[C@@H]2C1 ZINC000020262781 279290070 /nfs/dbraw/zinc/29/00/70/279290070.db2.gz VBAVWASTSFNHBO-KBPBESRZSA-N 1 1 268.832 2.937 50 0 CFAAMO ClC1=CC[C@H]2CN(CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC000020262781 279290073 /nfs/dbraw/zinc/29/00/73/279290073.db2.gz VBAVWASTSFNHBO-KBPBESRZSA-N 1 1 268.832 2.937 50 0 CFAAMO Clc1ccc(Cl)c([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065371767 279291776 /nfs/dbraw/zinc/29/17/76/279291776.db2.gz ZFUQCDQESDFAIC-NSHDSACASA-N 1 1 268.147 2.952 50 0 CFAAMO CCOc1cccc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)c1OC ZINC000015017300 279968161 /nfs/dbraw/zinc/96/81/61/279968161.db2.gz YPFMQXBXNWJMIS-QBOMHBFWSA-N 1 1 289.375 2.521 50 0 CFAAMO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCCC1 ZINC000032764748 280135964 /nfs/dbraw/zinc/13/59/64/280135964.db2.gz LFVJZDQNGVEEML-LBPRGKRZSA-N 1 1 278.421 2.680 50 0 CFAAMO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000032764748 280135965 /nfs/dbraw/zinc/13/59/65/280135965.db2.gz LFVJZDQNGVEEML-LBPRGKRZSA-N 1 1 278.421 2.680 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(F)(F)F ZINC000005969554 281099036 /nfs/dbraw/zinc/09/90/36/281099036.db2.gz BUKDWQICSAAFJH-WCQYABFASA-N 1 1 298.308 2.692 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)c2ccncc2Cl)CCCC1 ZINC000534642989 328329308 /nfs/dbraw/zinc/32/93/08/328329308.db2.gz JNMVIUPHOZNVFX-UHFFFAOYSA-N 1 1 295.814 2.729 50 0 CFAAMO CCOC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000534669041 328346302 /nfs/dbraw/zinc/34/63/02/328346302.db2.gz SKGOZTULYLKGPI-AWEZNQCLSA-N 1 1 296.455 2.572 50 0 CFAAMO CC(C)c1[nH+]ccn1CC(=O)NCc1cc(F)cc(F)c1 ZINC000097236173 323619015 /nfs/dbraw/zinc/61/90/15/323619015.db2.gz LFJXMSMLQFNCAW-UHFFFAOYSA-N 1 1 293.317 2.601 50 0 CFAAMO C[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000162336331 323630659 /nfs/dbraw/zinc/63/06/59/323630659.db2.gz LLKJWTTWVDYEQH-WCQYABFASA-N 1 1 279.384 2.632 50 0 CFAAMO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000189517278 324029289 /nfs/dbraw/zinc/02/92/89/324029289.db2.gz GZAWCMODQVIWTL-WDEREUQCSA-N 1 1 255.387 2.532 50 0 CFAAMO CC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000071909227 327106430 /nfs/dbraw/zinc/10/64/30/327106430.db2.gz AZAUWAXXWRYFKV-ZIAGYGMSSA-N 1 1 251.395 2.547 50 0 CFAAMO COc1cc(F)c(C[N@H+](C)CC2(CO)CCC2)c(F)c1 ZINC000828685984 782102894 /nfs/dbraw/zinc/10/28/94/782102894.db2.gz OXNAJOQNNYENNA-UHFFFAOYSA-N 1 1 285.334 2.568 50 0 CFAAMO COc1cc(F)c(C[N@@H+](C)CC2(CO)CCC2)c(F)c1 ZINC000828685984 782102897 /nfs/dbraw/zinc/10/28/97/782102897.db2.gz OXNAJOQNNYENNA-UHFFFAOYSA-N 1 1 285.334 2.568 50 0 CFAAMO Cc1ccccc1-n1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cn1 ZINC000828873657 782111569 /nfs/dbraw/zinc/11/15/69/782111569.db2.gz KZABLQYUSCGACM-FVQHAEBGSA-N 1 1 297.402 2.668 50 0 CFAAMO COC(=O)c1cc(CNc2cc(C)cc[nH+]2)ccc1OC ZINC000170663923 533831960 /nfs/dbraw/zinc/83/19/60/533831960.db2.gz WPCVWCNKZZZWSL-UHFFFAOYSA-N 1 1 286.331 2.797 50 0 CFAAMO OCCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000096455348 534356761 /nfs/dbraw/zinc/35/67/61/534356761.db2.gz PYPHIUMASGUVBX-GOSISDBHSA-N 1 1 282.387 2.954 50 0 CFAAMO O[C@H](C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(F)cc1 ZINC000096452806 534425738 /nfs/dbraw/zinc/42/57/38/534425738.db2.gz BUMIQLKXDVWKAF-QGZVFWFLSA-N 1 1 286.350 2.919 50 0 CFAAMO CC1=C(c2ccco2)C[N@@H+](CC[C@H]2CCOC2=O)CC1 ZINC000374531860 520847127 /nfs/dbraw/zinc/84/71/27/520847127.db2.gz SVIBZVKQCPPXLC-ZDUSSCGKSA-N 1 1 275.348 2.712 50 0 CFAAMO c1cc(CCC[N@H+]2CCC[C@H]3COCC[C@H]32)ccn1 ZINC000360454383 526419639 /nfs/dbraw/zinc/41/96/39/526419639.db2.gz IXIBEJNPDWFQJU-JKSUJKDBSA-N 1 1 260.381 2.515 50 0 CFAAMO c1cn2c([nH+]1)C[C@@H](c1nc(CCc3ccccc3)no1)CC2 ZINC000193202601 526539107 /nfs/dbraw/zinc/53/91/07/526539107.db2.gz UBLMMJOTRANTAE-AWEZNQCLSA-N 1 1 294.358 2.781 50 0 CFAAMO CC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000170602985 526902123 /nfs/dbraw/zinc/90/21/23/526902123.db2.gz FFWLPXVTHTUGHH-WBMJQRKESA-N 1 1 278.371 2.530 50 0 CFAAMO CC(C)c1nc(C[N@H+](C)CC2(CO)CCCC2)co1 ZINC000097657269 528274690 /nfs/dbraw/zinc/27/46/90/528274690.db2.gz KYSZRAVQAVNUHD-UHFFFAOYSA-N 1 1 266.385 2.783 50 0 CFAAMO CC(C)c1nc(C[N@@H+](C)CC2(CO)CCCC2)co1 ZINC000097657269 528274709 /nfs/dbraw/zinc/27/47/09/528274709.db2.gz KYSZRAVQAVNUHD-UHFFFAOYSA-N 1 1 266.385 2.783 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1cccnc1 ZINC000952969387 615777116 /nfs/dbraw/zinc/77/71/16/615777116.db2.gz STQGSJFLAZGDLN-HNNXBMFYSA-N 1 1 298.390 2.594 50 0 CFAAMO Cc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000022309599 618120831 /nfs/dbraw/zinc/12/08/31/618120831.db2.gz QLCQXQJIPIWQHA-GJZGRUSLSA-N 1 1 263.381 2.791 50 0 CFAAMO Cc1nc(C(F)(F)F)c(C[N@@H+](C)C[C@@H]2CCOC2)s1 ZINC000183603249 618907443 /nfs/dbraw/zinc/90/74/43/618907443.db2.gz JMXNPNPWCIMZPL-VIFPVBQESA-N 1 1 294.342 2.939 50 0 CFAAMO Cc1ncsc1C[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000888098336 619132546 /nfs/dbraw/zinc/13/25/46/619132546.db2.gz IJLJKIKOFYXIIT-JTQLQIEISA-N 1 1 276.409 2.835 50 0 CFAAMO Cc1cc(C)c2c(c1)OCC[C@@H]2NC1CC[NH+](C)CC1 ZINC000089582695 623693324 /nfs/dbraw/zinc/69/33/24/623693324.db2.gz QUVNKBHPWSAEHA-HNNXBMFYSA-N 1 1 274.408 2.811 50 0 CFAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)c3ccoc3)C2)n1C1CC1 ZINC000257177930 626012745 /nfs/dbraw/zinc/01/27/45/626012745.db2.gz FPRJAMUQQPZMIV-ZDUSSCGKSA-N 1 1 299.374 2.824 50 0 CFAAMO CC[C@H]1CCCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000157466239 650216931 /nfs/dbraw/zinc/21/69/31/650216931.db2.gz KVUBEARSKZYMQX-NSHDSACASA-N 1 1 252.383 2.612 50 0 CFAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000157466085 650216967 /nfs/dbraw/zinc/21/69/67/650216967.db2.gz KVUBEARSKZYMQX-LLVKDONJSA-N 1 1 252.383 2.612 50 0 CFAAMO Cc1c[nH]c(C[NH2+]C2CCN(Cc3cccs3)CC2)n1 ZINC000952990355 650791569 /nfs/dbraw/zinc/79/15/69/650791569.db2.gz YFZBABFCFKXWSO-UHFFFAOYSA-N 1 1 290.436 2.534 50 0 CFAAMO Cc1ncsc1CC[N@H+](C)C1CSCCSC1 ZINC000952987460 650791905 /nfs/dbraw/zinc/79/19/05/650791905.db2.gz HYKSIAOJOUKTLO-UHFFFAOYSA-N 1 1 288.507 2.774 50 0 CFAAMO O=C(Nc1ccc(F)cc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000826588636 647815460 /nfs/dbraw/zinc/81/54/60/647815460.db2.gz VMOOSXCLFXTKMY-UHFFFAOYSA-N 1 1 291.370 2.918 50 0 CFAAMO CCCC[NH+](CCCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000019809914 651294304 /nfs/dbraw/zinc/29/43/04/651294304.db2.gz LCIVSDZDSMVYTE-INIZCTEOSA-N 1 1 270.461 2.735 50 0 CFAAMO CCCC[N@H+](CCCCO)CC[C@@H]1CCCCN1C ZINC000019809914 651294306 /nfs/dbraw/zinc/29/43/06/651294306.db2.gz LCIVSDZDSMVYTE-INIZCTEOSA-N 1 1 270.461 2.735 50 0 CFAAMO CCCC[N@@H+](CCCCO)CC[C@@H]1CCCCN1C ZINC000019809914 651294309 /nfs/dbraw/zinc/29/43/09/651294309.db2.gz LCIVSDZDSMVYTE-INIZCTEOSA-N 1 1 270.461 2.735 50 0 CFAAMO CCc1nc(C)c(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)o1 ZINC000020202747 651297072 /nfs/dbraw/zinc/29/70/72/651297072.db2.gz DOOJWWHUCSJLRY-KRWDZBQOSA-N 1 1 286.375 2.639 50 0 CFAAMO Cc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCOC3)c(C)o2)o1 ZINC000012386265 780585388 /nfs/dbraw/zinc/58/53/88/780585388.db2.gz QLNDGZVDKHGSRU-LBPRGKRZSA-N 1 1 276.336 2.772 50 0 CFAAMO Cc1ccc(-c2nc(C[N@H+](C)[C@H]3CCOC3)c(C)o2)o1 ZINC000012386265 780585396 /nfs/dbraw/zinc/58/53/96/780585396.db2.gz QLNDGZVDKHGSRU-LBPRGKRZSA-N 1 1 276.336 2.772 50 0 CFAAMO OCCC[C@@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000096466210 230378545 /nfs/dbraw/zinc/37/85/45/230378545.db2.gz DYMBXEMAEFXAOJ-LBPRGKRZSA-N 1 1 278.327 2.704 50 0 CFAAMO c1ccc(C[NH+]2CCC(N3CCSCC3)CC2)cc1 ZINC000000757645 230366601 /nfs/dbraw/zinc/36/66/01/230366601.db2.gz YHCPVRDCRGOBDE-UHFFFAOYSA-N 1 1 276.449 2.700 50 0 CFAAMO CCOC(C[N@@H+](C)Cc1ccc(C)cc1)OCC ZINC000095950844 185039355 /nfs/dbraw/zinc/03/93/55/185039355.db2.gz TXVCGOSBLDYJTO-UHFFFAOYSA-N 1 1 251.370 2.826 50 0 CFAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1O ZINC000095979206 185053139 /nfs/dbraw/zinc/05/31/39/185053139.db2.gz UDHINFXEVWTDMG-FRRDWIJNSA-N 1 1 276.380 2.900 50 0 CFAAMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000095981720 185053847 /nfs/dbraw/zinc/05/38/47/185053847.db2.gz WPCIPBUKEPRQOK-YCPHGPKFSA-N 1 1 270.380 2.922 50 0 CFAAMO C[C@H](C1CCC1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000095987446 185056048 /nfs/dbraw/zinc/05/60/48/185056048.db2.gz QEYXMLMKQBSMFB-GFCCVEGCSA-N 1 1 285.391 2.554 50 0 CFAAMO CC[C@@H]1CCC[C@@H](C[N@@H+](CCOC)C(C)(C)CO)C1 ZINC000096011458 185066037 /nfs/dbraw/zinc/06/60/37/185066037.db2.gz GKYYFEWCDDACEK-HUUCEWRRSA-N 1 1 271.445 2.922 50 0 CFAAMO CC[N@@H+](C)[C@H](C)C(=O)NCC1(CC(C)C)CCC1 ZINC000823061387 781919700 /nfs/dbraw/zinc/91/97/00/781919700.db2.gz ZYMBBQFYHLHJIB-CYBMUJFWSA-N 1 1 254.418 2.659 50 0 CFAAMO COc1cccc(CCC[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000072296416 346925413 /nfs/dbraw/zinc/92/54/13/346925413.db2.gz IEHJJRRADWIXGJ-MRXNPFEDSA-N 1 1 277.408 2.722 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2CCc2ccccn2)no1 ZINC000074085484 346995361 /nfs/dbraw/zinc/99/53/61/346995361.db2.gz CUTYCVPDGOKIST-HNNXBMFYSA-N 1 1 257.337 2.758 50 0 CFAAMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000096496711 282318991 /nfs/dbraw/zinc/31/89/91/282318991.db2.gz CENVOLOKDBVQLR-JSGCOSHPSA-N 1 1 294.468 2.937 50 0 CFAAMO CC[N@@H+](CCO)Cc1cc2cc(F)ccc2s1 ZINC000075259811 347061965 /nfs/dbraw/zinc/06/19/65/347061965.db2.gz NECXAXPXOSTBOF-UHFFFAOYSA-N 1 1 253.342 2.855 50 0 CFAAMO CN(Cc1cnc(-c2ccccc2)s1)[C@@H]1CC[N@@H+](C)C1 ZINC000222883853 530015586 /nfs/dbraw/zinc/01/55/86/530015586.db2.gz HMWWZBHSSBOAOX-CQSZACIVSA-N 1 1 287.432 2.946 50 0 CFAAMO CN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C1 ZINC000222883853 530015587 /nfs/dbraw/zinc/01/55/87/530015587.db2.gz HMWWZBHSSBOAOX-CQSZACIVSA-N 1 1 287.432 2.946 50 0 CFAAMO CN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C1 ZINC000222883853 530015588 /nfs/dbraw/zinc/01/55/88/530015588.db2.gz HMWWZBHSSBOAOX-CQSZACIVSA-N 1 1 287.432 2.946 50 0 CFAAMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095368 185529546 /nfs/dbraw/zinc/52/95/46/185529546.db2.gz PPWORVYBTCTFMN-STQMWFEESA-N 1 1 258.365 2.761 50 0 CFAAMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000072368039 539464809 /nfs/dbraw/zinc/46/48/09/539464809.db2.gz FEMZTJPIAWCAEL-CYBMUJFWSA-N 1 1 295.390 2.676 50 0 CFAAMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000072368039 539464812 /nfs/dbraw/zinc/46/48/12/539464812.db2.gz FEMZTJPIAWCAEL-CYBMUJFWSA-N 1 1 295.390 2.676 50 0 CFAAMO CCC(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000075683856 539482005 /nfs/dbraw/zinc/48/20/05/539482005.db2.gz ZJHMPJQLTPWJBC-AWEZNQCLSA-N 1 1 260.381 2.610 50 0 CFAAMO Cc1ccnc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000095503969 136517650 /nfs/dbraw/zinc/51/76/50/136517650.db2.gz YFTKOPBLTMPCOQ-HNNXBMFYSA-N 1 1 297.406 2.776 50 0 CFAAMO CNC1=[NH+][C@@H](C(C)(C)C)[C@@H](c2ccc(OC)cc2)O1 ZINC000004760183 346209888 /nfs/dbraw/zinc/20/98/88/346209888.db2.gz YJJAYNYGENVPLO-CHWSQXEVSA-N 1 1 262.353 2.757 50 0 CFAAMO C[C@H](Cc1ccccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023279943 346251963 /nfs/dbraw/zinc/25/19/63/346251963.db2.gz RWXSTOGCNVPKTD-UPJWGTAASA-N 1 1 251.345 2.866 50 0 CFAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071444 347117716 /nfs/dbraw/zinc/11/77/16/347117716.db2.gz MNXXRKRFBYKUSJ-OLZOCXBDSA-N 1 1 286.485 2.897 50 0 CFAAMO C[N@@H+](Cc1ccno1)C1CCN(c2ccc(F)cc2)CC1 ZINC000076091374 347119129 /nfs/dbraw/zinc/11/91/29/347119129.db2.gz WUOHWHWNQZYRIA-UHFFFAOYSA-N 1 1 289.354 2.915 50 0 CFAAMO CC[C@H]1[C@@H](c2ccc(C)cc2)CC[N@H+]1CCS(C)(=O)=O ZINC000076109599 347120485 /nfs/dbraw/zinc/12/04/85/347120485.db2.gz IWYKNTXKYRUWQT-CVEARBPZSA-N 1 1 295.448 2.608 50 0 CFAAMO C[N@@H+](Cc1ccc2c(c1)CCC2)C1CCS(=O)CC1 ZINC000079463402 347305830 /nfs/dbraw/zinc/30/58/30/347305830.db2.gz LTUSTRIXNNOXGB-UHFFFAOYSA-N 1 1 277.433 2.518 50 0 CFAAMO c1cc(CC[N@H+]2CCCSCC2)cc2c1OCC2 ZINC000089982572 347533741 /nfs/dbraw/zinc/53/37/41/347533741.db2.gz VWSSISLHVWZOKL-UHFFFAOYSA-N 1 1 263.406 2.603 50 0 CFAAMO OC[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000092764280 347645551 /nfs/dbraw/zinc/64/55/51/347645551.db2.gz UAVQPFYKURUOTQ-VIFPVBQESA-N 1 1 277.261 2.659 50 0 CFAAMO OC[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000092764280 347645554 /nfs/dbraw/zinc/64/55/54/347645554.db2.gz UAVQPFYKURUOTQ-VIFPVBQESA-N 1 1 277.261 2.659 50 0 CFAAMO CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](CO)C1 ZINC000092763779 347646197 /nfs/dbraw/zinc/64/61/97/347646197.db2.gz CUWLNONUVRPIQQ-GFCCVEGCSA-N 1 1 259.349 2.809 50 0 CFAAMO COc1ccccc1OCC[N@@H+](C)C1CCSCC1 ZINC000092904097 347650218 /nfs/dbraw/zinc/65/02/18/347650218.db2.gz IZCRKWGEOHAERN-UHFFFAOYSA-N 1 1 281.421 2.901 50 0 CFAAMO CC(C)C(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H]1C ZINC000095882819 347699123 /nfs/dbraw/zinc/69/91/23/347699123.db2.gz PNEKCZNQOVAYFM-CZUORRHYSA-N 1 1 261.365 2.805 50 0 CFAAMO Cc1nc(Cc2nc([C@@H]3CCCCC[NH2+]3)no2)cs1 ZINC000096001502 347699730 /nfs/dbraw/zinc/69/97/30/347699730.db2.gz GSUNLQAFQQWNBA-NSHDSACASA-N 1 1 278.381 2.630 50 0 CFAAMO O[C@@H](C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200608 347706719 /nfs/dbraw/zinc/70/67/19/347706719.db2.gz JNOIPYNYOJXYSP-WBVHZDCISA-N 1 1 297.402 2.549 50 0 CFAAMO C[N@@H+](C[C@@H]1CCCCO1)[C@H](CCO)c1ccccc1 ZINC000110641515 347749081 /nfs/dbraw/zinc/74/90/81/347749081.db2.gz GFANMBXRTJCASX-JKSUJKDBSA-N 1 1 263.381 2.611 50 0 CFAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2SC)cc1 ZINC000110642587 347749491 /nfs/dbraw/zinc/74/94/91/347749491.db2.gz IZCUKMUINVPBRC-LSDHHAIUSA-N 1 1 292.448 2.762 50 0 CFAAMO Cc1sc(=O)n(CC[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000170604867 348055941 /nfs/dbraw/zinc/05/59/41/348055941.db2.gz CMNOPIHHCXFQHO-UHFFFAOYSA-N 1 1 294.395 2.798 50 0 CFAAMO C[C@H]([NH2+][C@H]1CCSC1)c1nc(C2CCCC2)no1 ZINC000191589220 348138192 /nfs/dbraw/zinc/13/81/92/348138192.db2.gz HORABHSTMUVKRO-ONGXEEELSA-N 1 1 267.398 2.883 50 0 CFAAMO C[N@H+](Cc1cc(F)ccc1Cl)C1CCS(=O)CC1 ZINC000225462111 348177458 /nfs/dbraw/zinc/17/74/58/348177458.db2.gz PFCLZQNTVFLOFM-UHFFFAOYSA-N 1 1 289.803 2.822 50 0 CFAAMO C[N@@H+](Cc1cc(F)ccc1Cl)C1CCS(=O)CC1 ZINC000225462111 348177460 /nfs/dbraw/zinc/17/74/60/348177460.db2.gz PFCLZQNTVFLOFM-UHFFFAOYSA-N 1 1 289.803 2.822 50 0 CFAAMO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000195569276 348146837 /nfs/dbraw/zinc/14/68/37/348146837.db2.gz QTJHQXPAKBJQDZ-DOTOQJQBSA-N 1 1 298.434 2.873 50 0 CFAAMO C[C@H](C[N@H+]1CCC[C@H](CC(N)=O)C1)c1ccc(F)cc1 ZINC000215652176 348163167 /nfs/dbraw/zinc/16/31/67/348163167.db2.gz JBNMCQKSYZBRLO-CHWSQXEVSA-N 1 1 278.371 2.517 50 0 CFAAMO C(=C\c1cccnc1)\c1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000221758122 348171968 /nfs/dbraw/zinc/17/19/68/348171968.db2.gz MRWWCCVPDKBIQQ-MEJMFZKBSA-N 1 1 270.336 2.840 50 0 CFAAMO CN(C)CC[N@@H+]1C[C@@H]2CCc3[nH]c4ccccc4c3[C@H]2C1 ZINC000248051735 348272195 /nfs/dbraw/zinc/27/21/95/348272195.db2.gz XRNHNPCQILWJPN-ZFWWWQNUSA-N 1 1 283.419 2.691 50 0 CFAAMO CN(C)CC[N@H+]1C[C@@H]2CCc3[nH]c4ccccc4c3[C@H]2C1 ZINC000248051735 348272199 /nfs/dbraw/zinc/27/21/99/348272199.db2.gz XRNHNPCQILWJPN-ZFWWWQNUSA-N 1 1 283.419 2.691 50 0 CFAAMO C[C@H](CCn1cccn1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000584890791 348729141 /nfs/dbraw/zinc/72/91/41/348729141.db2.gz ACXJLPPLGNWKOU-OAHLLOKOSA-N 1 1 277.412 2.554 50 0 CFAAMO CCCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)[nH]1 ZINC000584893803 348730259 /nfs/dbraw/zinc/73/02/59/348730259.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 1 1 277.412 2.894 50 0 CFAAMO CCCCc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)c[nH]1 ZINC000584893803 348730263 /nfs/dbraw/zinc/73/02/63/348730263.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 1 1 277.412 2.894 50 0 CFAAMO CCCCc1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)c[nH]1 ZINC000584893803 348730267 /nfs/dbraw/zinc/73/02/67/348730267.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 1 1 277.412 2.894 50 0 CFAAMO C[C@@H](C[NH+]1CCCCCC1)NCCc1nccs1 ZINC000584903566 348733618 /nfs/dbraw/zinc/73/36/18/348733618.db2.gz MGJNPTOELALGAQ-ZDUSSCGKSA-N 1 1 267.442 2.540 50 0 CFAAMO CSCCC(=O)N[C@H]1C[N@H+](C2CCCC2)C[C@@H]1C1CC1 ZINC000091364667 180142489 /nfs/dbraw/zinc/14/24/89/180142489.db2.gz HBNJBYRCRSUULK-CABCVRRESA-N 1 1 296.480 2.509 50 0 CFAAMO c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 ZINC000091289263 180122096 /nfs/dbraw/zinc/12/20/96/180122096.db2.gz UZGKUUSGTICBII-IAGOWNOFSA-N 1 1 294.402 2.577 50 0 CFAAMO CC[N@@H+](C)Cc1cccc(CNc2nnc(C)s2)c1 ZINC000091457153 180160082 /nfs/dbraw/zinc/16/00/82/180160082.db2.gz XDBPIYNTHDINDY-UHFFFAOYSA-N 1 1 276.409 2.910 50 0 CFAAMO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccoc1)C2 ZINC000091462007 180161575 /nfs/dbraw/zinc/16/15/75/180161575.db2.gz CBXRQYJPZBSKCM-JKSUJKDBSA-N 1 1 288.391 2.669 50 0 CFAAMO Cc1ncnc(NCC[N@H+]2CC[C@@H](c3ccccc3)C2)c1C ZINC000091587013 180200385 /nfs/dbraw/zinc/20/03/85/180200385.db2.gz ASQSCOJTYGRRNG-QGZVFWFLSA-N 1 1 296.418 2.995 50 0 CFAAMO COc1cccc(OCC[N@H+]2CC[C@](C)(O)C(C)(C)C2)c1 ZINC000091587183 180200621 /nfs/dbraw/zinc/20/06/21/180200621.db2.gz QCOOWHHSZKRMDG-KRWDZBQOSA-N 1 1 293.407 2.557 50 0 CFAAMO OCc1cccc(C[C@@H]2CC[N@@H+](Cc3cccnc3)C2)c1 ZINC000091665763 180222614 /nfs/dbraw/zinc/22/26/14/180222614.db2.gz LOPIGOYPJRIOKD-INIZCTEOSA-N 1 1 282.387 2.639 50 0 CFAAMO COCC[C@@]1(CO)CCC[N@@H+](C/C(C)=C/c2ccco2)C1 ZINC000091694523 180228597 /nfs/dbraw/zinc/22/85/97/180228597.db2.gz SZVUSFJAWLBUAG-JMPLCFMRSA-N 1 1 293.407 2.794 50 0 CFAAMO COCC[C@]1(CO)CCC[N@@H+](C/C(C)=C/c2ccco2)C1 ZINC000091694525 180228605 /nfs/dbraw/zinc/22/86/05/180228605.db2.gz SZVUSFJAWLBUAG-GSPCDJLXSA-N 1 1 293.407 2.794 50 0 CFAAMO O=C(C1CC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091736875 180243738 /nfs/dbraw/zinc/24/37/38/180243738.db2.gz PLDDBRSGXQFOOQ-NVXWUHKLSA-N 1 1 284.403 2.519 50 0 CFAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1 ZINC000091808882 180260928 /nfs/dbraw/zinc/26/09/28/180260928.db2.gz IKIXHTWURDUWEW-ZWKOTPCHSA-N 1 1 298.430 2.828 50 0 CFAAMO Cc1nc(N)cc(NCC2(COc3ccccc3)CC2)[nH+]1 ZINC000092001644 180303840 /nfs/dbraw/zinc/30/38/40/180303840.db2.gz HDVWRVRKQNETGO-UHFFFAOYSA-N 1 1 284.363 2.638 50 0 CFAAMO CN(C)c1ccc(C[C@@H]2COc3ccccc3C2)c[nH+]1 ZINC000092099651 180325098 /nfs/dbraw/zinc/32/50/98/180325098.db2.gz FHEBGXBXUPRICZ-AWEZNQCLSA-N 1 1 268.360 2.941 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C/C(C)=C/c2ccccc2)C1 ZINC000092101142 180326005 /nfs/dbraw/zinc/32/60/05/180326005.db2.gz QEHOGCUKJFBNBI-HAZIXKIPSA-N 1 1 286.419 2.890 50 0 CFAAMO Cc1nnc(NCC[N@H+]2CCC[C@H](c3ccccc3)C2)o1 ZINC000092106971 180326899 /nfs/dbraw/zinc/32/68/99/180326899.db2.gz IRLTYNLBEDQAIC-HNNXBMFYSA-N 1 1 286.379 2.670 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000092076842 180317688 /nfs/dbraw/zinc/31/76/88/180317688.db2.gz ILNCOTBFXLKFMR-BMIGLBTASA-N 1 1 285.334 2.566 50 0 CFAAMO COc1ccc(F)c(F)c1C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000092076842 180317689 /nfs/dbraw/zinc/31/76/89/180317689.db2.gz ILNCOTBFXLKFMR-BMIGLBTASA-N 1 1 285.334 2.566 50 0 CFAAMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000106856046 186141977 /nfs/dbraw/zinc/14/19/77/186141977.db2.gz QMGQKLUDQDASHZ-HZPDHXFCSA-N 1 1 281.371 2.750 50 0 CFAAMO OCCC[N@@H+](C[C@H]1CCOC1)[C@H]1CCCc2ccccc21 ZINC000108096540 186204268 /nfs/dbraw/zinc/20/42/68/186204268.db2.gz DUTBPJDIUZHNRQ-QAPCUYQASA-N 1 1 289.419 2.785 50 0 CFAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000110702835 186315168 /nfs/dbraw/zinc/31/51/68/186315168.db2.gz UPRGKQRNXGHMTE-YUELXQCFSA-N 1 1 281.421 2.825 50 0 CFAAMO Cc1ccccc1-n1cc(CN(C)C[C@H]2CCC[N@H+]2C)cn1 ZINC000215081897 539965674 /nfs/dbraw/zinc/96/56/74/539965674.db2.gz YRLCAOABOCOUMW-QGZVFWFLSA-N 1 1 298.434 2.707 50 0 CFAAMO Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000245339291 539978802 /nfs/dbraw/zinc/97/88/02/539978802.db2.gz RTRGTKAPYXMOEE-BHYGNILZSA-N 1 1 299.418 2.943 50 0 CFAAMO OC[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628117143 354437474 /nfs/dbraw/zinc/43/74/74/354437474.db2.gz UWDWTVAYXYUMNR-CYBMUJFWSA-N 1 1 287.325 2.952 50 0 CFAAMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nncn1C ZINC000084640664 540204348 /nfs/dbraw/zinc/20/43/48/540204348.db2.gz MIELIRWPPGUZFR-NSHDSACASA-N 1 1 278.787 2.532 50 0 CFAAMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nncn1C ZINC000084640664 540204351 /nfs/dbraw/zinc/20/43/51/540204351.db2.gz MIELIRWPPGUZFR-NSHDSACASA-N 1 1 278.787 2.532 50 0 CFAAMO C[N@@H+](CCc1cnccn1)Cc1ccc(Cl)c(F)c1 ZINC000273714307 192275152 /nfs/dbraw/zinc/27/51/52/192275152.db2.gz GYEMMGJTOLWTHE-UHFFFAOYSA-N 1 1 279.746 2.944 50 0 CFAAMO O=C(Nc1ccc(F)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000089788403 540719872 /nfs/dbraw/zinc/71/98/72/540719872.db2.gz MMGZVJIYNHDAMW-UHFFFAOYSA-N 1 1 277.343 2.528 50 0 CFAAMO COc1cccc(C[N@H+](C)Cc2ccncc2)c1OC ZINC000178531843 189125241 /nfs/dbraw/zinc/12/52/41/189125241.db2.gz UENNYIJTZIVXCV-UHFFFAOYSA-N 1 1 272.348 2.731 50 0 CFAAMO COc1cccc(C[N@@H+](C)Cc2ccncc2)c1OC ZINC000178531843 189125242 /nfs/dbraw/zinc/12/52/42/189125242.db2.gz UENNYIJTZIVXCV-UHFFFAOYSA-N 1 1 272.348 2.731 50 0 CFAAMO OCCC[C@H]1CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC000670446914 540997215 /nfs/dbraw/zinc/99/72/15/540997215.db2.gz LIPRXORIZSZFKV-GFCCVEGCSA-N 1 1 268.788 2.720 50 0 CFAAMO c1ccc(O[C@H]2CC[N@H+](C3CSCCSC3)C2)cc1 ZINC000670448384 540998028 /nfs/dbraw/zinc/99/80/28/540998028.db2.gz MCXKKIUBOWKSOQ-HNNXBMFYSA-N 1 1 295.473 2.988 50 0 CFAAMO Cc1cc(C)c(-n2cccn2)c(C[N@H+](C)CC2(C)COC2)c1 ZINC000670460121 541002640 /nfs/dbraw/zinc/00/26/40/541002640.db2.gz WHDVTBFHIVMUPZ-UHFFFAOYSA-N 1 1 299.418 2.957 50 0 CFAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000670449784 540998812 /nfs/dbraw/zinc/99/88/12/540998812.db2.gz JSCAIWQGSPUXNL-CQSZACIVSA-N 1 1 286.379 2.583 50 0 CFAAMO CN(CCOc1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000670450946 540999298 /nfs/dbraw/zinc/99/92/98/540999298.db2.gz AQWFPTXNPHONCW-CQSZACIVSA-N 1 1 294.414 2.867 50 0 CFAAMO CN(CCOc1ccc(F)cc1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000670450946 540999299 /nfs/dbraw/zinc/99/92/99/540999299.db2.gz AQWFPTXNPHONCW-CQSZACIVSA-N 1 1 294.414 2.867 50 0 CFAAMO Clc1ccncc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000670451738 540999437 /nfs/dbraw/zinc/99/94/37/540999437.db2.gz FAVNPVCVQSVOOH-UHFFFAOYSA-N 1 1 276.771 2.838 50 0 CFAAMO Clc1ccncc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000670452201 541000109 /nfs/dbraw/zinc/00/01/09/541000109.db2.gz WCTCKGYGHLNWIX-LLVKDONJSA-N 1 1 276.771 2.838 50 0 CFAAMO Clc1ccncc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000670452202 541000242 /nfs/dbraw/zinc/00/02/42/541000242.db2.gz WCTCKGYGHLNWIX-NSHDSACASA-N 1 1 276.771 2.838 50 0 CFAAMO COc1ccc(-n2ncnc2[C@H](C)[NH+]2CCCCC2)cc1 ZINC000670455308 541000891 /nfs/dbraw/zinc/00/08/91/541000891.db2.gz OGSNWAZSSJFCRK-ZDUSSCGKSA-N 1 1 286.379 2.823 50 0 CFAAMO Cc1nc(C2CC[NH+](CC3=CCCCC3)CC2)n[nH]1 ZINC000670457992 541001957 /nfs/dbraw/zinc/00/19/57/541001957.db2.gz IAMBIFIKMSPMGM-UHFFFAOYSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1nnc(C2CC[NH+](CC3=CCCCC3)CC2)[nH]1 ZINC000670457992 541001960 /nfs/dbraw/zinc/00/19/60/541001960.db2.gz IAMBIFIKMSPMGM-UHFFFAOYSA-N 1 1 260.385 2.793 50 0 CFAAMO Cc1nncn1CC[N@H+]1CCC2(C1)CCCCCC2 ZINC000670462593 541004573 /nfs/dbraw/zinc/00/45/73/541004573.db2.gz FAESBQIOISTGTP-UHFFFAOYSA-N 1 1 262.401 2.633 50 0 CFAAMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc3oc(C)cc3c2)C1 ZINC000670467789 541007393 /nfs/dbraw/zinc/00/73/93/541007393.db2.gz PYLVTZFZHZKMKS-HNNXBMFYSA-N 1 1 286.375 2.955 50 0 CFAAMO CCc1[nH+]ccn1CCC(=O)NCc1cc2ccccc2o1 ZINC000670468917 541007769 /nfs/dbraw/zinc/00/77/69/541007769.db2.gz YGXKXGHBIGTTMB-UHFFFAOYSA-N 1 1 297.358 2.898 50 0 CFAAMO Cc1nc2ccc(C[NH2+][C@@H](C)CCn3cccn3)cc2[nH]1 ZINC000670473362 541011613 /nfs/dbraw/zinc/01/16/13/541011613.db2.gz TZQGJXXCWXKCGS-LBPRGKRZSA-N 1 1 283.379 2.636 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1OC ZINC000000200585 371556278 /nfs/dbraw/zinc/55/62/78/371556278.db2.gz JHKSCNYRZDUCHF-UHFFFAOYSA-N 1 1 286.375 2.773 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000000199260 371556613 /nfs/dbraw/zinc/55/66/13/371556613.db2.gz HVRYXSKVRXPHNJ-LLVKDONJSA-N 1 1 259.271 2.662 50 0 CFAAMO CN1CCC([N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000000207667 371557740 /nfs/dbraw/zinc/55/77/40/371557740.db2.gz MEFZKIBLFKKDEY-UHFFFAOYSA-N 1 1 297.240 2.975 50 0 CFAAMO CN(Cc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000000207667 371557746 /nfs/dbraw/zinc/55/77/46/371557746.db2.gz MEFZKIBLFKKDEY-UHFFFAOYSA-N 1 1 297.240 2.975 50 0 CFAAMO CSc1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000000209272 371559818 /nfs/dbraw/zinc/55/98/18/371559818.db2.gz NTLYPZWLTBQOIX-CYBMUJFWSA-N 1 1 251.395 2.613 50 0 CFAAMO COc1cc(C)c(C[N@H+]2CCCC[C@H]2CO)cc1C ZINC000000215029 371560986 /nfs/dbraw/zinc/56/09/86/371560986.db2.gz KDZAROCPKYHUQS-HNNXBMFYSA-N 1 1 263.381 2.659 50 0 CFAAMO CCC[N@@H+](CCO)Cc1ccc(OC(F)(F)F)cc1 ZINC000000213789 371561280 /nfs/dbraw/zinc/56/12/80/371561280.db2.gz INABGCSSLQFBQK-UHFFFAOYSA-N 1 1 277.286 2.790 50 0 CFAAMO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000001740861 371705462 /nfs/dbraw/zinc/70/54/62/371705462.db2.gz QLUGCOVDAXYIOE-UHFFFAOYSA-N 1 1 255.361 2.990 50 0 CFAAMO C[N@@H+](CCOC(=O)CCc1ccccc1)C(C)(C)C ZINC000002180605 371718275 /nfs/dbraw/zinc/71/82/75/371718275.db2.gz GILSPASQGGWCCF-UHFFFAOYSA-N 1 1 263.381 2.893 50 0 CFAAMO Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000002696091 371746727 /nfs/dbraw/zinc/74/67/27/371746727.db2.gz MYCZMPJQZOSEFK-GOSISDBHSA-N 1 1 297.398 2.793 50 0 CFAAMO O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000002811268 371757591 /nfs/dbraw/zinc/75/75/91/371757591.db2.gz XYSDEKXVMVPYIW-LLVKDONJSA-N 1 1 260.164 2.950 50 0 CFAAMO O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000002811268 371757597 /nfs/dbraw/zinc/75/75/97/371757597.db2.gz XYSDEKXVMVPYIW-LLVKDONJSA-N 1 1 260.164 2.950 50 0 CFAAMO COc1ccc(C(=O)OCC[N@@H+](C)C(C)(C)C)cc1OC ZINC000002984428 371766349 /nfs/dbraw/zinc/76/63/49/371766349.db2.gz DENNUNJBGSQFEK-UHFFFAOYSA-N 1 1 295.379 2.591 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003401128 371797030 /nfs/dbraw/zinc/79/70/30/371797030.db2.gz YUQIFIGQVPNNCB-CYBMUJFWSA-N 1 1 272.392 2.988 50 0 CFAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000003538788 371808197 /nfs/dbraw/zinc/80/81/97/371808197.db2.gz QMOXSWGWCWTMSN-JTQLQIEISA-N 1 1 268.307 2.778 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000003538788 371808203 /nfs/dbraw/zinc/80/82/03/371808203.db2.gz QMOXSWGWCWTMSN-JTQLQIEISA-N 1 1 268.307 2.778 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(F)c1 ZINC000003583726 371812176 /nfs/dbraw/zinc/81/21/76/371812176.db2.gz OAINULQDHFWDCL-NSHDSACASA-N 1 1 250.317 2.639 50 0 CFAAMO O=C(CC1CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011814037 371929068 /nfs/dbraw/zinc/92/90/68/371929068.db2.gz DPLDUOFLBBUBKL-OAHLLOKOSA-N 1 1 290.382 2.706 50 0 CFAAMO O=C(CC1CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011814037 371929078 /nfs/dbraw/zinc/92/90/78/371929078.db2.gz DPLDUOFLBBUBKL-OAHLLOKOSA-N 1 1 290.382 2.706 50 0 CFAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1)NC1CC1 ZINC000011843701 371932245 /nfs/dbraw/zinc/93/22/45/371932245.db2.gz HSJIEFVNPYZTFV-ZDUSSCGKSA-N 1 1 276.380 2.550 50 0 CFAAMO CC(C)NC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012704949 371981140 /nfs/dbraw/zinc/98/11/40/371981140.db2.gz NRJIDAMQEXTXMT-CQSZACIVSA-N 1 1 281.444 2.881 50 0 CFAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000012909158 371998236 /nfs/dbraw/zinc/99/82/36/371998236.db2.gz WPEAODXWXHZRRT-OAHLLOKOSA-N 1 1 298.361 2.830 50 0 CFAAMO CCCC[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000016476513 372106882 /nfs/dbraw/zinc/10/68/82/372106882.db2.gz DHFQNQUNYMUSAT-UHFFFAOYSA-N 1 1 291.420 2.705 50 0 CFAAMO CCCC[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000016476513 372106886 /nfs/dbraw/zinc/10/68/86/372106886.db2.gz DHFQNQUNYMUSAT-UHFFFAOYSA-N 1 1 291.420 2.705 50 0 CFAAMO Cc1ccc(C[NH+]2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000016603790 372113606 /nfs/dbraw/zinc/11/36/06/372113606.db2.gz XQGFTQTUHYQDTN-UHFFFAOYSA-N 1 1 286.419 2.829 50 0 CFAAMO Cc1ccccc1CN1CC[N@H+](CC(C)C)CCC1=O ZINC000014962333 372075410 /nfs/dbraw/zinc/07/54/10/372075410.db2.gz JDUJCAFEEASCQG-UHFFFAOYSA-N 1 1 274.408 2.685 50 0 CFAAMO Cc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000015831414 372093076 /nfs/dbraw/zinc/09/30/76/372093076.db2.gz DVDVSGRNMCHNBG-AWEZNQCLSA-N 1 1 272.348 2.621 50 0 CFAAMO COc1ccccc1OCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016193423 372101591 /nfs/dbraw/zinc/10/15/91/372101591.db2.gz SGZOVOBZCNFWSZ-GASCZTMLSA-N 1 1 293.407 2.963 50 0 CFAAMO CC[C@@H]1CN(Cc2[nH]c(-c3ccccc3)nc2C)CC[N@H+]1C ZINC000019732969 372181913 /nfs/dbraw/zinc/18/19/13/372181913.db2.gz JTGGZFBAYCFZMV-MRXNPFEDSA-N 1 1 298.434 2.911 50 0 CFAAMO c1coc(CN2CCC(C[NH+]3CCSCC3)CC2)c1 ZINC000019595461 372175550 /nfs/dbraw/zinc/17/55/50/372175550.db2.gz FYTQXRYDJCREGX-UHFFFAOYSA-N 1 1 280.437 2.540 50 0 CFAAMO CC[N@H+](CCN(C)C)Cc1ccc(Br)cc1 ZINC000019635096 372177901 /nfs/dbraw/zinc/17/79/01/372177901.db2.gz RIWAMSYOAKVSKL-UHFFFAOYSA-N 1 1 285.229 2.833 50 0 CFAAMO CC[N@@H+](CCN(C)C)Cc1ccc(Br)cc1 ZINC000019635096 372177907 /nfs/dbraw/zinc/17/79/07/372177907.db2.gz RIWAMSYOAKVSKL-UHFFFAOYSA-N 1 1 285.229 2.833 50 0 CFAAMO CC(C)N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000019912615 372208189 /nfs/dbraw/zinc/20/81/89/372208189.db2.gz MEPQTBJVVIBYAB-UHFFFAOYSA-N 1 1 264.388 2.831 50 0 CFAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(O)CC1 ZINC000019745540 372184998 /nfs/dbraw/zinc/18/49/98/372184998.db2.gz LHWHUCABUPJICV-UHFFFAOYSA-N 1 1 278.377 2.668 50 0 CFAAMO CCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019792700 372187638 /nfs/dbraw/zinc/18/76/38/372187638.db2.gz GTEMCOJIXLWYQZ-OAHLLOKOSA-N 1 1 274.408 2.767 50 0 CFAAMO C=C1c2ccccc2NC(=O)N1C[C@@H]1CCC[N@@H+]1CC ZINC000025062558 372289461 /nfs/dbraw/zinc/28/94/61/372289461.db2.gz OGSVSUAQJTYSCF-ZDUSSCGKSA-N 1 1 271.364 2.989 50 0 CFAAMO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000025404556 372299055 /nfs/dbraw/zinc/29/90/55/372299055.db2.gz SABBIPIBOGYBQN-LBPRGKRZSA-N 1 1 264.344 2.947 50 0 CFAAMO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)c1 ZINC000023471804 372260631 /nfs/dbraw/zinc/26/06/31/372260631.db2.gz YGQZJYWNJRYUID-NVXWUHKLSA-N 1 1 258.409 2.972 50 0 CFAAMO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000023992002 372268442 /nfs/dbraw/zinc/26/84/42/372268442.db2.gz QCYWRFMGKGGNFM-ZDUSSCGKSA-N 1 1 278.400 2.523 50 0 CFAAMO C[N@@H+](CCC(=O)NC1CC1)Cc1ccc2ccccc2c1 ZINC000026904889 372330868 /nfs/dbraw/zinc/33/08/68/372330868.db2.gz YRVARXQMBQIIEK-UHFFFAOYSA-N 1 1 282.387 2.940 50 0 CFAAMO CC[C@@H]1CCC[N@@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000030144175 372390166 /nfs/dbraw/zinc/39/01/66/372390166.db2.gz KHIZTSUFMCBVOT-GFCCVEGCSA-N 1 1 270.380 2.834 50 0 CFAAMO C[N@@H+](CCOC(=O)/C=C\c1ccccc1)C(C)(C)C ZINC000033417548 372492970 /nfs/dbraw/zinc/49/29/70/372492970.db2.gz YYNKUKLFXJBLLX-KHPPLWFESA-N 1 1 261.365 2.973 50 0 CFAAMO CCC(=O)O[C@@]1(c2ccc(C)cc2)CC[N@@H+](C)[C@@H]1C ZINC000033864873 372501824 /nfs/dbraw/zinc/50/18/24/372501824.db2.gz ROOQMFGONPGNRH-CJNGLKHVSA-N 1 1 261.365 2.868 50 0 CFAAMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000036382137 372575273 /nfs/dbraw/zinc/57/52/73/372575273.db2.gz DPEGBKCRHNDOHE-YOEHRIQHSA-N 1 1 286.419 2.740 50 0 CFAAMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000036382137 372575278 /nfs/dbraw/zinc/57/52/78/372575278.db2.gz DPEGBKCRHNDOHE-YOEHRIQHSA-N 1 1 286.419 2.740 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037776100 372706179 /nfs/dbraw/zinc/70/61/79/372706179.db2.gz VEUQNICEUSRNLY-SECBINFHSA-N 1 1 265.307 2.717 50 0 CFAAMO COc1ccc(OC)c2c1C[N@H+](Cc1ccccc1)C[C@H]2O ZINC000040012128 372779152 /nfs/dbraw/zinc/77/91/52/372779152.db2.gz QOKNSLIARYMGLR-OAHLLOKOSA-N 1 1 299.370 2.753 50 0 CFAAMO COc1ccc(OC)c2c1C[N@@H+](Cc1ccccc1)C[C@H]2O ZINC000040012128 372779159 /nfs/dbraw/zinc/77/91/59/372779159.db2.gz QOKNSLIARYMGLR-OAHLLOKOSA-N 1 1 299.370 2.753 50 0 CFAAMO Cc1ccc(CCC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC000040033502 372779771 /nfs/dbraw/zinc/77/97/71/372779771.db2.gz WOPFOODPHBKSFN-QGZVFWFLSA-N 1 1 287.403 2.955 50 0 CFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCc1ccsc1 ZINC000046859529 373066121 /nfs/dbraw/zinc/06/61/21/373066121.db2.gz KQJKOISHNBZZGF-ZDUSSCGKSA-N 1 1 280.437 2.671 50 0 CFAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](CCCc3cccnc3)C2)n1 ZINC000244794547 189911780 /nfs/dbraw/zinc/91/17/80/189911780.db2.gz QOUIUYQJWMLCDI-QGZVFWFLSA-N 1 1 284.407 2.775 50 0 CFAAMO COCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000047190806 373083071 /nfs/dbraw/zinc/08/30/71/373083071.db2.gz XFBGPBLPUDBOSV-ZDUSSCGKSA-N 1 1 276.380 2.646 50 0 CFAAMO C[C@H](c1ccc2ccccc2c1)[N@@H+](CC(N)=O)C1CC1 ZINC000049333257 373289075 /nfs/dbraw/zinc/28/90/75/373289075.db2.gz LTDQNIHEWAZBEI-GFCCVEGCSA-N 1 1 268.360 2.851 50 0 CFAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCc1ccccc1 ZINC000051404525 373393922 /nfs/dbraw/zinc/39/39/22/373393922.db2.gz WENQOTYRIXSCAK-SFHVURJKSA-N 1 1 299.414 2.909 50 0 CFAAMO C[N@H+](CCc1ccccn1)CC[C@H](O)c1ccccc1 ZINC000053932475 373487936 /nfs/dbraw/zinc/48/79/36/373487936.db2.gz HLPFTCCMCZCFSJ-KRWDZBQOSA-N 1 1 270.376 2.680 50 0 CFAAMO C[NH+]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000055072068 373539339 /nfs/dbraw/zinc/53/93/39/373539339.db2.gz KFPSCCUWMBGAJS-AATRIKPKSA-N 1 1 299.201 2.781 50 0 CFAAMO CC[C@H](CO)[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000055360191 373549394 /nfs/dbraw/zinc/54/93/94/373549394.db2.gz KWYKSTHJGPIJHR-GOSISDBHSA-N 1 1 284.403 2.897 50 0 CFAAMO CCc1ccc2[nH+]c(NCCOCCO)cc(C)c2c1 ZINC000055357625 373549600 /nfs/dbraw/zinc/54/96/00/373549600.db2.gz WCTGKQSNBHEIRN-UHFFFAOYSA-N 1 1 274.364 2.526 50 0 CFAAMO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000058424131 373657300 /nfs/dbraw/zinc/65/73/00/373657300.db2.gz LFDIQXNWYYONHD-JKSUJKDBSA-N 1 1 277.408 2.652 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccncc1 ZINC000058215670 373633881 /nfs/dbraw/zinc/63/38/81/373633881.db2.gz YHDNIYALLSYICC-AWEZNQCLSA-N 1 1 287.388 2.919 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccncc1 ZINC000058215670 373633885 /nfs/dbraw/zinc/63/38/85/373633885.db2.gz YHDNIYALLSYICC-AWEZNQCLSA-N 1 1 287.388 2.919 50 0 CFAAMO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2nccs2)cc1 ZINC000058326323 373644821 /nfs/dbraw/zinc/64/48/21/373644821.db2.gz CIYREXNEFDQZRQ-UHFFFAOYSA-N 1 1 288.351 2.962 50 0 CFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000057554338 373597776 /nfs/dbraw/zinc/59/77/76/373597776.db2.gz OPXBSBXIJQYCCL-MRXNPFEDSA-N 1 1 298.386 2.901 50 0 CFAAMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000057554342 373598256 /nfs/dbraw/zinc/59/82/56/373598256.db2.gz OPXBSBXIJQYCCL-INIZCTEOSA-N 1 1 298.386 2.901 50 0 CFAAMO O=C(NCC(F)(F)F)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057827378 373614464 /nfs/dbraw/zinc/61/44/64/373614464.db2.gz LIENHOPOMIERCO-GFCCVEGCSA-N 1 1 286.297 2.502 50 0 CFAAMO CC(C)CNC(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000060168238 373688222 /nfs/dbraw/zinc/68/82/22/373688222.db2.gz AEJXVRDJCWOAQM-KRWDZBQOSA-N 1 1 286.419 2.911 50 0 CFAAMO CCc1noc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000060369968 373693239 /nfs/dbraw/zinc/69/32/39/373693239.db2.gz YOHFBHJZGXCLHC-OCCSQVGLSA-N 1 1 286.379 2.879 50 0 CFAAMO CCc1noc([C@@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000060369968 373693248 /nfs/dbraw/zinc/69/32/48/373693248.db2.gz YOHFBHJZGXCLHC-OCCSQVGLSA-N 1 1 286.379 2.879 50 0 CFAAMO C[N@H+](Cc1cn2ccccc2n1)Cc1ccccc1 ZINC000061745466 373727258 /nfs/dbraw/zinc/72/72/58/373727258.db2.gz LGQFHBXDRQPZQH-UHFFFAOYSA-N 1 1 251.333 2.966 50 0 CFAAMO C[N@@H+](Cc1cn2ccccc2n1)Cc1ccccc1 ZINC000061745466 373727266 /nfs/dbraw/zinc/72/72/66/373727266.db2.gz LGQFHBXDRQPZQH-UHFFFAOYSA-N 1 1 251.333 2.966 50 0 CFAAMO O=C([C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCC1 ZINC000064552837 373829081 /nfs/dbraw/zinc/82/90/81/373829081.db2.gz KHTYGAPTGUOOLG-CYBMUJFWSA-N 1 1 278.421 2.583 50 0 CFAAMO C/C=C(\C)C[N@@H+](C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065533734 373885692 /nfs/dbraw/zinc/88/56/92/373885692.db2.gz FPCLNJWFVYDYSQ-HIICFIELSA-N 1 1 264.413 2.676 50 0 CFAAMO CCCc1cnc(C)nc1N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000065530901 373885803 /nfs/dbraw/zinc/88/58/03/373885803.db2.gz RHEQCUJJHUTHIO-CYBMUJFWSA-N 1 1 288.439 2.801 50 0 CFAAMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000065553978 373887632 /nfs/dbraw/zinc/88/76/32/373887632.db2.gz HBNDWULGNINPDI-DLBZAZTESA-N 1 1 286.419 2.923 50 0 CFAAMO Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000065731500 373897773 /nfs/dbraw/zinc/89/77/73/373897773.db2.gz VOBKFIMIIKWZAV-CQSZACIVSA-N 1 1 276.380 2.876 50 0 CFAAMO CCc1[nH+]ccn1Cc1nc(-c2ccccc2F)no1 ZINC000065224658 373850271 /nfs/dbraw/zinc/85/02/71/373850271.db2.gz CVCZOLBXZUPVDL-UHFFFAOYSA-N 1 1 272.283 2.683 50 0 CFAAMO CC(=O)NCCCC1=CC[N@H+]([C@H]2C=CCCC2)CC1 ZINC000065381914 373861176 /nfs/dbraw/zinc/86/11/76/373861176.db2.gz FGQNJJYJQGCYCL-INIZCTEOSA-N 1 1 262.397 2.644 50 0 CFAAMO CCCc1cc(C[N@H+](C)C2CSCCSC2)[nH]n1 ZINC000065383752 373861789 /nfs/dbraw/zinc/86/17/89/373861789.db2.gz ZNFVPFDDDRTIDM-UHFFFAOYSA-N 1 1 285.482 2.643 50 0 CFAAMO CCCc1cc(C[N@@H+](C)C2CSCCSC2)[nH]n1 ZINC000065383752 373861798 /nfs/dbraw/zinc/86/17/98/373861798.db2.gz ZNFVPFDDDRTIDM-UHFFFAOYSA-N 1 1 285.482 2.643 50 0 CFAAMO OCC[N@@H+](C[C@H]1CCOC1)CC12CC3CC(CC(C3)C1)C2 ZINC000065394500 373864106 /nfs/dbraw/zinc/86/41/06/373864106.db2.gz WMRTZFPBDGWJTK-CZVCLPBNSA-N 1 1 293.451 2.534 50 0 CFAAMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065387411 373864705 /nfs/dbraw/zinc/86/47/05/373864705.db2.gz JPSLWERXQHBIPQ-CQSZACIVSA-N 1 1 293.374 2.855 50 0 CFAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065430692 373870786 /nfs/dbraw/zinc/87/07/86/373870786.db2.gz LYYWKHCCXZUXCH-SNVBAGLBSA-N 1 1 288.313 2.662 50 0 CFAAMO Cc1[nH+]c(N2CCCC2)nc(N(C)Cc2cccnc2)c1C ZINC000065452395 373873535 /nfs/dbraw/zinc/87/35/35/373873535.db2.gz IPROYYSIVFIFBW-UHFFFAOYSA-N 1 1 297.406 2.725 50 0 CFAAMO Cc1ccccc1CCC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000067725856 373997522 /nfs/dbraw/zinc/99/75/22/373997522.db2.gz OLTVASPHEKQQNK-MRXNPFEDSA-N 1 1 288.435 2.776 50 0 CFAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc3sccc3[nH]2)C1 ZINC000067785398 374002725 /nfs/dbraw/zinc/00/27/25/374002725.db2.gz VKFRNMOEKYYDAG-NSHDSACASA-N 1 1 291.420 2.691 50 0 CFAAMO CCc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC)C2)[nH]n1 ZINC000067840364 374006588 /nfs/dbraw/zinc/00/65/88/374006588.db2.gz ZIDNLJCUJNLNEQ-ZDUSSCGKSA-N 1 1 287.411 2.637 50 0 CFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc3sccc3[nH]1)C2 ZINC000067847340 374009532 /nfs/dbraw/zinc/00/95/32/374009532.db2.gz YZWQTAGVYZXQMM-WDEREUQCSA-N 1 1 289.404 2.538 50 0 CFAAMO Cc1n[nH]c(C)c1[C@@H](C)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000067894501 374012423 /nfs/dbraw/zinc/01/24/23/374012423.db2.gz AYBVESBHCLYFGV-LLVKDONJSA-N 1 1 285.351 2.756 50 0 CFAAMO CC(C)c1ccc2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)[nH]c2c1 ZINC000067885479 374013308 /nfs/dbraw/zinc/01/33/08/374013308.db2.gz IZVGNIZEQHZNPB-ZDUSSCGKSA-N 1 1 299.418 2.973 50 0 CFAAMO C[N@H+]1CCC[C@@H]1CCn1ccnc1-c1nc2ccccc2[nH]1 ZINC000067895449 374013728 /nfs/dbraw/zinc/01/37/28/374013728.db2.gz BNMKOKPWZDHJGC-CYBMUJFWSA-N 1 1 295.390 2.911 50 0 CFAAMO C/C=C/CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000067878714 374013879 /nfs/dbraw/zinc/01/38/79/374013879.db2.gz JUYCOZOSCDDQCN-BAABZTOOSA-N 1 1 290.382 2.730 50 0 CFAAMO Cc1ccc2nc(C[NH2+][C@H](C)Cc3cnccn3)[nH]c2c1C ZINC000067473358 373980932 /nfs/dbraw/zinc/98/09/32/373980932.db2.gz XVHBRRRISHTDAB-GFCCVEGCSA-N 1 1 295.390 2.691 50 0 CFAAMO CCOCCCn1cc[nH+]c1[C@@H]1CCOC(C)(C)C1 ZINC000067561695 373983606 /nfs/dbraw/zinc/98/36/06/373983606.db2.gz YBOTXZHYWMRMEF-CYBMUJFWSA-N 1 1 266.385 2.982 50 0 CFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1csc(C)n1 ZINC000069528804 374072056 /nfs/dbraw/zinc/07/20/56/374072056.db2.gz NFJSSGZFRBMIKB-KBPBESRZSA-N 1 1 293.436 2.540 50 0 CFAAMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069569563 374074415 /nfs/dbraw/zinc/07/44/15/374074415.db2.gz JQVZWPFQFLTYMJ-ZFWWWQNUSA-N 1 1 274.408 2.779 50 0 CFAAMO CC[N@@H+](CCNC(=O)c1cccc(C)c1C)C1CC1 ZINC000069562108 374075173 /nfs/dbraw/zinc/07/51/73/374075173.db2.gz DOAGDWUGFVEAJB-UHFFFAOYSA-N 1 1 260.381 2.518 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC000069659273 374083210 /nfs/dbraw/zinc/08/32/10/374083210.db2.gz NXHJCRHOEQIQJR-GJZGRUSLSA-N 1 1 264.413 2.652 50 0 CFAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000069919436 374109417 /nfs/dbraw/zinc/10/94/17/374109417.db2.gz CHQNWRVSIVRYFA-MRXNPFEDSA-N 1 1 270.380 2.560 50 0 CFAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000070011010 374115347 /nfs/dbraw/zinc/11/53/47/374115347.db2.gz IZRUSOBGAIFWDV-CVEARBPZSA-N 1 1 264.413 2.652 50 0 CFAAMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCOCO1 ZINC000069779534 374096390 /nfs/dbraw/zinc/09/63/90/374096390.db2.gz XXCLXKKQYXNWTI-LBPRGKRZSA-N 1 1 289.297 2.900 50 0 CFAAMO CC(C)=CCN1CC[N@@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000069807972 374097916 /nfs/dbraw/zinc/09/79/16/374097916.db2.gz CXGMBLZHGUTSOL-WMZOPIPTSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@@H+]1CCN(C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000069807972 374097925 /nfs/dbraw/zinc/09/79/25/374097925.db2.gz CXGMBLZHGUTSOL-WMZOPIPTSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)=CC[N@H+]1CCN(C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000069807972 374097933 /nfs/dbraw/zinc/09/79/33/374097933.db2.gz CXGMBLZHGUTSOL-WMZOPIPTSA-N 1 1 288.435 2.692 50 0 CFAAMO CC(C)[N@H+](Cc1cc(F)cc2cccnc21)C[C@H](C)O ZINC000069808388 374098074 /nfs/dbraw/zinc/09/80/74/374098074.db2.gz HAUAXCXMDRBBLE-LBPRGKRZSA-N 1 1 276.355 2.965 50 0 CFAAMO Cn1cc(CCC[N@H+]2CC[C@H](c3ccccc3)C2)cn1 ZINC000069894692 374106948 /nfs/dbraw/zinc/10/69/48/374106948.db2.gz MYQFCJSJLPWVLJ-KRWDZBQOSA-N 1 1 269.392 2.842 50 0 CFAAMO CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2CC[N@H+]3CCCC[C@H]1[C@H]23 ZINC000070454855 374180481 /nfs/dbraw/zinc/18/04/81/374180481.db2.gz ROIHYOJMCBKEER-FGBMJVKNSA-N 1 1 277.408 2.695 50 0 biogenic,in-vitro CFAAMO C[N@H+](Cc1cccnc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000071909076 374230113 /nfs/dbraw/zinc/23/01/13/374230113.db2.gz UHTCPMWYVRQEBX-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO C[N@@H+](Cc1cccnc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000071909076 374230119 /nfs/dbraw/zinc/23/01/19/374230119.db2.gz UHTCPMWYVRQEBX-KRWDZBQOSA-N 1 1 295.386 2.709 50 0 CFAAMO COc1ccc(Nc2cc(C)[nH+]c(N)n2)cc1Cl ZINC000072436881 374254046 /nfs/dbraw/zinc/25/40/46/374254046.db2.gz MVDVBEYSPZMAEL-UHFFFAOYSA-N 1 1 264.716 2.773 50 0 CFAAMO CN(Cc1ccc(CCC(C)(C)O)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000072481488 374256590 /nfs/dbraw/zinc/25/65/90/374256590.db2.gz WZJQKQHDZPBAIA-KRWDZBQOSA-N 1 1 290.451 2.526 50 0 CFAAMO CN1CC[C@H]([N@H+](C)Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072481488 374256596 /nfs/dbraw/zinc/25/65/96/374256596.db2.gz WZJQKQHDZPBAIA-KRWDZBQOSA-N 1 1 290.451 2.526 50 0 CFAAMO CN1CC[C@H]([N@@H+](C)Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072481488 374256604 /nfs/dbraw/zinc/25/66/04/374256604.db2.gz WZJQKQHDZPBAIA-KRWDZBQOSA-N 1 1 290.451 2.526 50 0 CFAAMO COC(=O)c1n[nH]cc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000072122596 374234404 /nfs/dbraw/zinc/23/44/04/374234404.db2.gz HMPOLDTXRCVLNA-HNNXBMFYSA-N 1 1 299.374 2.706 50 0 CFAAMO COC(=O)c1n[nH]cc1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000072122596 374234410 /nfs/dbraw/zinc/23/44/10/374234410.db2.gz HMPOLDTXRCVLNA-HNNXBMFYSA-N 1 1 299.374 2.706 50 0 CFAAMO CC[C@@](CO)([NH2+]Cc1csc(C)n1)c1ccccc1 ZINC000072290830 374241931 /nfs/dbraw/zinc/24/19/31/374241931.db2.gz CXLNRXJTCVCMNX-HNNXBMFYSA-N 1 1 276.405 2.839 50 0 CFAAMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2nccn2C)c1 ZINC000075838395 374505823 /nfs/dbraw/zinc/50/58/23/374505823.db2.gz NZJVYQKOQCOEPS-INIZCTEOSA-N 1 1 284.407 2.823 50 0 CFAAMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2nccn2C)c1 ZINC000075838395 374505826 /nfs/dbraw/zinc/50/58/26/374505826.db2.gz NZJVYQKOQCOEPS-INIZCTEOSA-N 1 1 284.407 2.823 50 0 CFAAMO C[N@@H+](Cc1ccccn1)[C@@H](CCO)c1ccccc1 ZINC000075897921 374511295 /nfs/dbraw/zinc/51/12/95/374511295.db2.gz NWVQPJOKTXCWAS-INIZCTEOSA-N 1 1 256.349 2.637 50 0 CFAAMO C[C@H](c1ccccc1)[N@@H+](CCS(C)(=O)=O)CC1CCC1 ZINC000076019819 374520217 /nfs/dbraw/zinc/52/02/17/374520217.db2.gz YLDYVDKLESUXEV-CQSZACIVSA-N 1 1 295.448 2.894 50 0 CFAAMO Cc1cc[nH+]c(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077505674 374564238 /nfs/dbraw/zinc/56/42/38/374564238.db2.gz VFUIMNCJBPLBSZ-GOSISDBHSA-N 1 1 299.418 2.761 50 0 CFAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000079091027 374593035 /nfs/dbraw/zinc/59/30/35/374593035.db2.gz PDIKPKOZZQFSRM-GFCCVEGCSA-N 1 1 254.761 2.593 50 0 CFAAMO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cscn1 ZINC000083475304 374746747 /nfs/dbraw/zinc/74/67/47/374746747.db2.gz AVUXKCKWPOUWDZ-UHFFFAOYSA-N 1 1 285.413 2.536 50 0 CFAAMO CCCN1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000087709187 374828108 /nfs/dbraw/zinc/82/81/08/374828108.db2.gz GPACHYKNZQBJDA-CVEARBPZSA-N 1 1 280.456 2.798 50 0 CFAAMO CCC1(CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC000084319869 374773823 /nfs/dbraw/zinc/77/38/23/374773823.db2.gz WWOHWCYDRRBPOU-CQSZACIVSA-N 1 1 281.444 2.596 50 0 CFAAMO COC(=O)N1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000089401055 374899735 /nfs/dbraw/zinc/89/97/35/374899735.db2.gz RHIMQNJWELCXDQ-UHFFFAOYSA-N 1 1 291.376 2.939 50 0 CFAAMO C[N@@H+](CCc1cccs1)C1CCC(CO)CC1 ZINC000089924335 374968809 /nfs/dbraw/zinc/96/88/09/374968809.db2.gz DNHNTHBARNMBGM-UHFFFAOYSA-N 1 1 253.411 2.774 50 0 CFAAMO O=C1OCCN1c1cccc2c1CC[N@@H+](CC1CCC1)C2 ZINC000089800226 374952660 /nfs/dbraw/zinc/95/26/60/374952660.db2.gz JJPGNUNBQHCXTI-UHFFFAOYSA-N 1 1 286.375 2.801 50 0 CFAAMO C[C@H](NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000089894202 374965353 /nfs/dbraw/zinc/96/53/53/374965353.db2.gz WSDXJFVZWBADPD-ZDUSSCGKSA-N 1 1 286.419 2.695 50 0 CFAAMO C[C@H](NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000089894202 374965359 /nfs/dbraw/zinc/96/53/59/374965359.db2.gz WSDXJFVZWBADPD-ZDUSSCGKSA-N 1 1 286.419 2.695 50 0 CFAAMO COc1ccnc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000089922971 374968402 /nfs/dbraw/zinc/96/84/02/374968402.db2.gz SKHGUZZQTAXGRK-UHFFFAOYSA-N 1 1 285.391 2.788 50 0 CFAAMO COCc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000092967494 375171243 /nfs/dbraw/zinc/17/12/43/375171243.db2.gz AJSDRKFONZKWNQ-QGZVFWFLSA-N 1 1 285.391 2.867 50 0 CFAAMO COc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1O ZINC000092540689 375122089 /nfs/dbraw/zinc/12/20/89/375122089.db2.gz GFRPEDIKWVUEPY-PHIMTYICSA-N 1 1 267.394 2.727 50 0 CFAAMO Fc1cc(F)c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1F ZINC000093820726 375316473 /nfs/dbraw/zinc/31/64/73/375316473.db2.gz TUNWMVJFIQNXEG-AWEZNQCLSA-N 1 1 271.282 2.716 50 0 CFAAMO Fc1cc(F)c(C[N@H+]2CC[C@]3(CCOC3)C2)cc1F ZINC000093820726 375316480 /nfs/dbraw/zinc/31/64/80/375316480.db2.gz TUNWMVJFIQNXEG-AWEZNQCLSA-N 1 1 271.282 2.716 50 0 CFAAMO COc1ccccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000093866167 375323075 /nfs/dbraw/zinc/32/30/75/375323075.db2.gz CEOLONMVQCHNFA-INIZCTEOSA-N 1 1 284.359 2.744 50 0 CFAAMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093899039 375329667 /nfs/dbraw/zinc/32/96/67/375329667.db2.gz MHOSDNLVGJAAJO-AWEZNQCLSA-N 1 1 297.402 2.563 50 0 CFAAMO Cc1ccnc(N[C@H](C)C[N@H+]2CCc3ccccc3C2)n1 ZINC000095356162 375419096 /nfs/dbraw/zinc/41/90/96/375419096.db2.gz LMACWBDWOIPXQF-CQSZACIVSA-N 1 1 282.391 2.644 50 0 CFAAMO Cc1cc(C)c2c(ncnc2NC[C@H]2CCCC[N@@H+]2C)n1 ZINC000095357973 375419233 /nfs/dbraw/zinc/41/92/33/375419233.db2.gz SQODOFXJZWSWHG-CYBMUJFWSA-N 1 1 285.395 2.538 50 0 CFAAMO CC(C)[N@H+]1CC[C@H](Cn2sc3ccccc3c2=O)C1 ZINC000095359913 375420003 /nfs/dbraw/zinc/42/00/03/375420003.db2.gz WHBPJXUOBLNMEB-LBPRGKRZSA-N 1 1 276.405 2.793 50 0 CFAAMO Cc1ccc(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000095371605 375422606 /nfs/dbraw/zinc/42/26/06/375422606.db2.gz WVAYSVZCTSOUFG-QGZVFWFLSA-N 1 1 288.435 2.918 50 0 CFAAMO CNC(=O)CC[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000095426347 375443535 /nfs/dbraw/zinc/44/35/35/375443535.db2.gz MUMVJEOVVMZBOW-NVXWUHKLSA-N 1 1 272.392 2.524 50 0 CFAAMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)c1cnn(C)c1 ZINC000095451037 375454893 /nfs/dbraw/zinc/45/48/93/375454893.db2.gz DQPRTEYPJSEVEG-NXEZZACHSA-N 1 1 276.409 2.777 50 0 CFAAMO Cc1[nH+]ccn1CCCCOc1ccccc1CO ZINC000095454321 375455509 /nfs/dbraw/zinc/45/55/09/375455509.db2.gz BOZSQNJXUFBFCN-UHFFFAOYSA-N 1 1 260.337 2.543 50 0 CFAAMO Cc1noc(C)c1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200495 375536925 /nfs/dbraw/zinc/53/69/25/375536925.db2.gz DXEZVWAPKXQJPR-CQSZACIVSA-N 1 1 286.379 2.620 50 0 CFAAMO CCCn1ncc(C[N@@H+](C)CCC2CCOCC2)c1C ZINC000097173069 375537396 /nfs/dbraw/zinc/53/73/96/375537396.db2.gz GPBUXCOGGBPTIN-UHFFFAOYSA-N 1 1 279.428 2.850 50 0 CFAAMO C[C@@H](CCc1ccccc1)[N@@H+]1CCn2ccnc2C1 ZINC000097201307 375538369 /nfs/dbraw/zinc/53/83/69/375538369.db2.gz QIAOSCNXDCTSIC-AWEZNQCLSA-N 1 1 255.365 2.720 50 0 CFAAMO C[C@@H](CCc1ccccc1)[N@H+]1CCn2ccnc2C1 ZINC000097201307 375538376 /nfs/dbraw/zinc/53/83/76/375538376.db2.gz QIAOSCNXDCTSIC-AWEZNQCLSA-N 1 1 255.365 2.720 50 0 CFAAMO C[C@H](CCc1ccccc1)[N@@H+]1CCn2ccnc2C1 ZINC000097201308 375538889 /nfs/dbraw/zinc/53/88/89/375538889.db2.gz QIAOSCNXDCTSIC-CQSZACIVSA-N 1 1 255.365 2.720 50 0 CFAAMO C[C@H](CCc1ccccc1)[N@H+]1CCn2ccnc2C1 ZINC000097201308 375538896 /nfs/dbraw/zinc/53/88/96/375538896.db2.gz QIAOSCNXDCTSIC-CQSZACIVSA-N 1 1 255.365 2.720 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)c(C)c2)C1 ZINC000097057430 375506104 /nfs/dbraw/zinc/50/61/04/375506104.db2.gz DWIJBNWMFDQPMB-HNNXBMFYSA-N 1 1 294.826 2.949 50 0 CFAAMO CC[N@@H+](CN1CCSC1=S)C1CCCCC1 ZINC000097091756 375513958 /nfs/dbraw/zinc/51/39/58/375513958.db2.gz APKQCFIKLFVCSP-UHFFFAOYSA-N 1 1 258.456 2.932 50 0 CFAAMO COc1cccc([C@@H]2CCC[N@H+]2CCC2OCCO2)c1 ZINC000097094921 375515159 /nfs/dbraw/zinc/51/51/59/375515159.db2.gz SYZZEQDJQWOFRO-HNNXBMFYSA-N 1 1 277.364 2.595 50 0 CFAAMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095366 375515246 /nfs/dbraw/zinc/51/52/46/375515246.db2.gz PPWORVYBTCTFMN-QWHCGFSZSA-N 1 1 258.365 2.761 50 0 CFAAMO Cc1csc([C@@H]2CN(c3cccc(C)[nH+]3)CCO2)n1 ZINC000097096595 375516218 /nfs/dbraw/zinc/51/62/18/375516218.db2.gz XJPYJKURQWHDOO-LBPRGKRZSA-N 1 1 275.377 2.733 50 0 CFAAMO COCCN1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000097103890 375519587 /nfs/dbraw/zinc/51/95/87/375519587.db2.gz NJVDLBNVNDXJAX-AWEZNQCLSA-N 1 1 296.842 2.708 50 0 CFAAMO CC[C@@H]([NH2+]CC1OCCO1)c1nc(C(F)(F)F)cs1 ZINC000097111034 375521500 /nfs/dbraw/zinc/52/15/00/375521500.db2.gz RWEANXCFDQZNTB-SSDOTTSWSA-N 1 1 296.314 2.576 50 0 CFAAMO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1c(C)noc1C ZINC000097111112 375523505 /nfs/dbraw/zinc/52/35/05/375523505.db2.gz LFLQTUWQWPIWFN-CQSZACIVSA-N 1 1 287.363 2.971 50 0 CFAAMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccccn2)n1 ZINC000097236809 375545123 /nfs/dbraw/zinc/54/51/23/375545123.db2.gz JFROCVSSJOJDLZ-LBPRGKRZSA-N 1 1 257.337 2.684 50 0 CFAAMO C[N@H+]1CCN(Cc2ccccn2)C2(CCCCC2)C1 ZINC000098018755 375590303 /nfs/dbraw/zinc/59/03/03/375590303.db2.gz NHEQELGPWLZRGC-UHFFFAOYSA-N 1 1 259.397 2.532 50 0 CFAAMO CN1CC[N@H+](Cc2ccccn2)C2(CCCCC2)C1 ZINC000098018755 375590309 /nfs/dbraw/zinc/59/03/09/375590309.db2.gz NHEQELGPWLZRGC-UHFFFAOYSA-N 1 1 259.397 2.532 50 0 CFAAMO CN1CC[N@@H+](Cc2ccccn2)C2(CCCCC2)C1 ZINC000098018755 375590317 /nfs/dbraw/zinc/59/03/17/375590317.db2.gz NHEQELGPWLZRGC-UHFFFAOYSA-N 1 1 259.397 2.532 50 0 CFAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000097377044 375555163 /nfs/dbraw/zinc/55/51/63/375555163.db2.gz BCKODEGBTNUOIX-CYBMUJFWSA-N 1 1 275.421 2.936 50 0 CFAAMO CC(C)CC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000097493246 375565852 /nfs/dbraw/zinc/56/58/52/375565852.db2.gz FLWXBXTYKZUMMX-AWEZNQCLSA-N 1 1 254.418 2.755 50 0 CFAAMO CSc1ccc(C[N@@H+](C)CCN2CCCCC2=O)cc1 ZINC000097495385 375566047 /nfs/dbraw/zinc/56/60/47/375566047.db2.gz BWANQEXOXCXYQV-UHFFFAOYSA-N 1 1 292.448 2.853 50 0 CFAAMO Cc1nnc([C@H]2CCC[N@H+]2CCCc2ccccc2)[nH]1 ZINC000097480002 375566315 /nfs/dbraw/zinc/56/63/15/375566315.db2.gz DVTJUKRSBNTZNW-OAHLLOKOSA-N 1 1 270.380 2.883 50 0 CFAAMO [NH3+]C[C@@H]1CCN(Cc2ccccc2OC2CCCC2)C1 ZINC000097499507 375566851 /nfs/dbraw/zinc/56/68/51/375566851.db2.gz XMJXTTUVJYTRIY-AWEZNQCLSA-N 1 1 274.408 2.789 50 0 CFAAMO [NH3+]C[C@H]1CCN(Cc2ccccc2OC2CCCC2)C1 ZINC000097499506 375567029 /nfs/dbraw/zinc/56/70/29/375567029.db2.gz XMJXTTUVJYTRIY-CQSZACIVSA-N 1 1 274.408 2.789 50 0 CFAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc3nonc32)on1 ZINC000097610249 375572993 /nfs/dbraw/zinc/57/29/93/375572993.db2.gz AICMHRINUCOUTO-ZDUSSCGKSA-N 1 1 284.319 2.856 50 0 CFAAMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc(OC)c1 ZINC000102833562 375693979 /nfs/dbraw/zinc/69/39/79/375693979.db2.gz OCCXWEDXHRJJLC-HALDLXJZSA-N 1 1 291.391 2.561 50 0 CFAAMO COC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000127061772 377262003 /nfs/dbraw/zinc/26/20/03/377262003.db2.gz BWZYZKZKNYDDJS-CVEARBPZSA-N 1 1 263.381 2.529 50 0 CFAAMO C[C@H](O)C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000130663850 377589787 /nfs/dbraw/zinc/58/97/87/377589787.db2.gz JWHXHNPPMGUQIV-ZDUSSCGKSA-N 1 1 256.349 2.561 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](C)Cc2ccccc2)C1 ZINC000132762894 377873490 /nfs/dbraw/zinc/87/34/90/377873490.db2.gz AANISFHAJRWIDP-QAPCUYQASA-N 1 1 288.435 2.665 50 0 CFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](C)Cc2ccccc2)C1 ZINC000132762661 377874217 /nfs/dbraw/zinc/87/42/17/377874217.db2.gz AANISFHAJRWIDP-YJBOKZPZSA-N 1 1 288.435 2.665 50 0 CFAAMO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)cn1 ZINC000137081266 378217650 /nfs/dbraw/zinc/21/76/50/378217650.db2.gz IXLAWMYJJLDQBK-HNNXBMFYSA-N 1 1 289.379 2.980 50 0 CFAAMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(COC)o2)cn1 ZINC000137081266 378217654 /nfs/dbraw/zinc/21/76/54/378217654.db2.gz IXLAWMYJJLDQBK-HNNXBMFYSA-N 1 1 289.379 2.980 50 0 CFAAMO OC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000159113072 378687636 /nfs/dbraw/zinc/68/76/36/378687636.db2.gz IADVHHXKSBNJJG-GFCCVEGCSA-N 1 1 290.338 2.828 50 0 CFAAMO OC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000159113072 378687645 /nfs/dbraw/zinc/68/76/45/378687645.db2.gz IADVHHXKSBNJJG-GFCCVEGCSA-N 1 1 290.338 2.828 50 0 CFAAMO CCc1nc(C[N@@H+]([C@@H](C)CO)C2CCCC2)cs1 ZINC000170607232 379127555 /nfs/dbraw/zinc/12/75/55/379127555.db2.gz DTUSIRTVCUOTNJ-NSHDSACASA-N 1 1 268.426 2.831 50 0 CFAAMO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCCC(C)(C)CC1 ZINC000170639831 379133259 /nfs/dbraw/zinc/13/32/59/379133259.db2.gz XRBGRPYEYKHOOS-ZDUSSCGKSA-N 1 1 266.429 2.946 50 0 CFAAMO CCCC[N@@H+](C)CC(=O)N(C)Cc1cccc(F)c1 ZINC000048614718 412911010 /nfs/dbraw/zinc/91/10/10/412911010.db2.gz FMCFCBWIFPYPQC-UHFFFAOYSA-N 1 1 266.360 2.516 50 0 CFAAMO C[C@H](CC[N@@H+]1CCN(C[C@H](C)O)C[C@@H]1C)c1ccccc1 ZINC000408515554 380935697 /nfs/dbraw/zinc/93/56/97/380935697.db2.gz BRLQJCNQEKRTJM-IKGGRYGDSA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](CCN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccccc1 ZINC000408515554 380935703 /nfs/dbraw/zinc/93/57/03/380935703.db2.gz BRLQJCNQEKRTJM-IKGGRYGDSA-N 1 1 290.451 2.567 50 0 CFAAMO C[C@H](CCN1CC[N@H+](C[C@H](C)O)C[C@@H]1C)c1ccccc1 ZINC000408515554 380935705 /nfs/dbraw/zinc/93/57/05/380935705.db2.gz BRLQJCNQEKRTJM-IKGGRYGDSA-N 1 1 290.451 2.567 50 0 CFAAMO c1ccc(OCC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000368499912 381047356 /nfs/dbraw/zinc/04/73/56/381047356.db2.gz ULADMXXPVHNLKY-MRXNPFEDSA-N 1 1 261.365 2.568 50 0 CFAAMO COCC[N@H+]1CC[C@H](CNc2nc3ccccc3s2)C1 ZINC000049441653 412944679 /nfs/dbraw/zinc/94/46/79/412944679.db2.gz VYUWRDGOHYTCAO-GFCCVEGCSA-N 1 1 291.420 2.677 50 0 CFAAMO Cc1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000299763656 382043200 /nfs/dbraw/zinc/04/32/00/382043200.db2.gz QKCQCAQEHASXNK-RYUDHWBXSA-N 1 1 251.399 2.859 50 0 CFAAMO Cc1nnc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000299763656 382043207 /nfs/dbraw/zinc/04/32/07/382043207.db2.gz QKCQCAQEHASXNK-RYUDHWBXSA-N 1 1 251.399 2.859 50 0 CFAAMO Cc1ccc(SCC[N@H+](C)CCn2cccn2)cc1 ZINC000299798078 382050681 /nfs/dbraw/zinc/05/06/81/382050681.db2.gz UTACJDHFEVAFCG-UHFFFAOYSA-N 1 1 275.421 2.916 50 0 CFAAMO C[C@H](C[N@H+]1CC[C@H](CO)C1)c1cccc(Cl)c1 ZINC000187103764 382100917 /nfs/dbraw/zinc/10/09/17/382100917.db2.gz MMFRHRRTGDGTNL-NEPJUHHUSA-N 1 1 253.773 2.758 50 0 CFAAMO CC(C)Oc1ccc(NC(=O)C[NH+](C)C)c(Cl)c1 ZINC000188896162 382501134 /nfs/dbraw/zinc/50/11/34/382501134.db2.gz NDSIDJGKNVWZFQ-UHFFFAOYSA-N 1 1 270.760 2.627 50 0 CFAAMO CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC000188962004 382513206 /nfs/dbraw/zinc/51/32/06/382513206.db2.gz OHTMGXMSENDZNW-MSOLQXFVSA-N 1 1 294.483 2.999 50 0 CFAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)nn1 ZINC000328589563 382550556 /nfs/dbraw/zinc/55/05/56/382550556.db2.gz DUDYNCJXHBBTDL-OAHLLOKOSA-N 1 1 284.363 2.526 50 0 CFAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)nn1 ZINC000328589563 382550560 /nfs/dbraw/zinc/55/05/60/382550560.db2.gz DUDYNCJXHBBTDL-OAHLLOKOSA-N 1 1 284.363 2.526 50 0 CFAAMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000193916490 382729578 /nfs/dbraw/zinc/72/95/78/382729578.db2.gz GREDNBBARQQPKF-GJZGRUSLSA-N 1 1 275.396 2.775 50 0 CFAAMO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000195530528 382769061 /nfs/dbraw/zinc/76/90/61/382769061.db2.gz YYZYOMGPPKSSSN-SJORKVTESA-N 1 1 299.418 2.661 50 0 CFAAMO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000195530528 382769062 /nfs/dbraw/zinc/76/90/62/382769062.db2.gz YYZYOMGPPKSSSN-SJORKVTESA-N 1 1 299.418 2.661 50 0 CFAAMO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](CSc3ccccc3)C2)C(=O)O1 ZINC000195531532 382769214 /nfs/dbraw/zinc/76/92/14/382769214.db2.gz OKRJPCYAESQDOJ-NFAWXSAZSA-N 1 1 291.416 2.805 50 0 CFAAMO C[C@H](C[N@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccc(F)cc1 ZINC000195572866 382770018 /nfs/dbraw/zinc/77/00/18/382770018.db2.gz HOTWVCPWLUFHAV-KGLIPLIRSA-N 1 1 292.398 2.907 50 0 CFAAMO CCOc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000215043893 382777448 /nfs/dbraw/zinc/77/74/48/382777448.db2.gz IXMXZFONSQBTLA-CQSZACIVSA-N 1 1 287.359 2.912 50 0 CFAAMO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000214978861 382777622 /nfs/dbraw/zinc/77/76/22/382777622.db2.gz NTPBGOPMSDUEJZ-INIZCTEOSA-N 1 1 283.375 2.764 50 0 CFAAMO CC(C)C[N@H+]1CC[C@H](CN(C)Cc2nccs2)C1 ZINC000215187476 382778226 /nfs/dbraw/zinc/77/82/26/382778226.db2.gz NQGAPOIIOPGDGT-CYBMUJFWSA-N 1 1 267.442 2.553 50 0 CFAAMO Cc1cc(C)nc(CN(C)C(=O)C[C@@H]2CCCC[N@H+]2C)c1 ZINC000215417801 382778785 /nfs/dbraw/zinc/77/87/85/382778785.db2.gz CZEFSFKOCBMXRN-INIZCTEOSA-N 1 1 289.423 2.531 50 0 CFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000215533662 382779082 /nfs/dbraw/zinc/77/90/82/382779082.db2.gz QWBNLTFOEPENQV-WMLDXEAASA-N 1 1 296.418 2.603 50 0 CFAAMO C[N@@H+](Cc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@@H]1O ZINC000215777007 382780079 /nfs/dbraw/zinc/78/00/79/382780079.db2.gz PMFSHNCWHBSZHJ-MSOLQXFVSA-N 1 1 299.418 2.667 50 0 CFAAMO COc1cc(OC)c(C[N@@H+](C)C2CCOCC2)cc1Cl ZINC000215685370 382780095 /nfs/dbraw/zinc/78/00/95/382780095.db2.gz DPABUIUXKIEEJW-UHFFFAOYSA-N 1 1 299.798 2.968 50 0 CFAAMO CC[C@H]1C=CC[N@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000215867946 382780889 /nfs/dbraw/zinc/78/08/89/382780889.db2.gz AFDPZYRPQDJEMK-LBPRGKRZSA-N 1 1 261.321 2.574 50 0 CFAAMO COC[C@H]1CC[N@@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000215884883 382780903 /nfs/dbraw/zinc/78/09/03/382780903.db2.gz JHZWHZASAOHYGZ-HNNXBMFYSA-N 1 1 297.402 2.920 50 0 CFAAMO Cc1cccc(CNC(=O)C[C@H]2CCCC[N@@H+]2C)c1C ZINC000215950153 382781267 /nfs/dbraw/zinc/78/12/67/382781267.db2.gz DLURQGUFRVQFBQ-MRXNPFEDSA-N 1 1 274.408 2.794 50 0 CFAAMO COc1ccc(F)c(C[N@H+](C)C2CCOCC2)c1F ZINC000216260456 382782682 /nfs/dbraw/zinc/78/26/82/382782682.db2.gz MZKNCFGPYPZAEL-UHFFFAOYSA-N 1 1 271.307 2.584 50 0 CFAAMO COc1ccc(F)c(C[N@@H+](C)C2CCOCC2)c1F ZINC000216260456 382782683 /nfs/dbraw/zinc/78/26/83/382782683.db2.gz MZKNCFGPYPZAEL-UHFFFAOYSA-N 1 1 271.307 2.584 50 0 CFAAMO Cc1cc(C[N@H+](C)Cc2cc(=O)c3ccccc3[nH]2)ccn1 ZINC000216230189 382782771 /nfs/dbraw/zinc/78/27/71/382782771.db2.gz QNAIVPUOQDEWMI-UHFFFAOYSA-N 1 1 293.370 2.864 50 0 CFAAMO Cc1cc(C[N@@H+](C)Cc2cc(=O)c3ccccc3[nH]2)ccn1 ZINC000216230189 382782772 /nfs/dbraw/zinc/78/27/72/382782772.db2.gz QNAIVPUOQDEWMI-UHFFFAOYSA-N 1 1 293.370 2.864 50 0 CFAAMO CS[C@H](C)CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000216311398 382783178 /nfs/dbraw/zinc/78/31/78/382783178.db2.gz OBSGUDXQSSSMSZ-LLVKDONJSA-N 1 1 253.415 2.731 50 0 CFAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](C)Cc2ccccc2)C1 ZINC000225328467 382814353 /nfs/dbraw/zinc/81/43/53/382814353.db2.gz AANISFHAJRWIDP-CRAIPNDOSA-N 1 1 288.435 2.665 50 0 CFAAMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1cccs1 ZINC000225345083 382814756 /nfs/dbraw/zinc/81/47/56/382814756.db2.gz YNBWQYZNPYOSMS-DYEKYZERSA-N 1 1 253.411 2.772 50 0 CFAAMO OC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccco1 ZINC000225409151 382815457 /nfs/dbraw/zinc/81/54/57/382815457.db2.gz PTENHXUVFIIBLG-KBPBESRZSA-N 1 1 273.332 2.686 50 0 CFAAMO C[C@H](C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C)c1ccc(F)cc1 ZINC000225476632 382816707 /nfs/dbraw/zinc/81/67/07/382816707.db2.gz JZVUKUSEOAQEGK-MBNYWOFBSA-N 1 1 278.371 2.515 50 0 CFAAMO O=C(NCCn1cc[nH+]c1C1CC1)c1ccccc1Cl ZINC000225565935 382818595 /nfs/dbraw/zinc/81/85/95/382818595.db2.gz PUENGRWGDRAJIH-UHFFFAOYSA-N 1 1 289.766 2.844 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2c(s1)CCC2 ZINC000229384500 382851256 /nfs/dbraw/zinc/85/12/56/382851256.db2.gz AEDDVQPWBFHVIR-OLZOCXBDSA-N 1 1 290.432 2.593 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000229384994 382851513 /nfs/dbraw/zinc/85/15/13/382851513.db2.gz ODFPTXGCNGHMSJ-KGLIPLIRSA-N 1 1 278.783 2.697 50 0 CFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)s1 ZINC000229384902 382851678 /nfs/dbraw/zinc/85/16/78/382851678.db2.gz VGTJFXIKZYBXKU-ZJUUUORDSA-N 1 1 284.812 2.758 50 0 CFAAMO CCc1ccc(CC[NH+]2CC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000230228713 382857836 /nfs/dbraw/zinc/85/78/36/382857836.db2.gz BOBPORJLRLGBGL-QZTJIDSGSA-N 1 1 272.436 2.818 50 0 CFAAMO CCc1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000230228713 382857838 /nfs/dbraw/zinc/85/78/38/382857838.db2.gz BOBPORJLRLGBGL-QZTJIDSGSA-N 1 1 272.436 2.818 50 0 CFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000241965698 382984946 /nfs/dbraw/zinc/98/49/46/382984946.db2.gz UVAUSNQMFWZRRF-OAGGEKHMSA-N 1 1 290.382 2.530 50 0 CFAAMO Cc1csc2c1ncnc2N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000241719851 382984962 /nfs/dbraw/zinc/98/49/62/382984962.db2.gz QQCPETAXBOJKML-NEPJUHHUSA-N 1 1 288.420 2.673 50 0 CFAAMO Cc1nc(CC[N@@H+]2CCC[C@H](c3nccn3C)C2)cs1 ZINC000244626524 382988995 /nfs/dbraw/zinc/98/89/95/382988995.db2.gz FNIKFRFOIOSTRV-ZDUSSCGKSA-N 1 1 290.436 2.607 50 0 CFAAMO Cc1nc(CC[N@@H+]2CCC[C@@H](c3nccn3C)C2)cs1 ZINC000244626523 382989280 /nfs/dbraw/zinc/98/92/80/382989280.db2.gz FNIKFRFOIOSTRV-CYBMUJFWSA-N 1 1 290.436 2.607 50 0 CFAAMO O[C@]1(c2ccccc2)CC[N@@H+](CCCc2ccco2)C1 ZINC000244602108 382989853 /nfs/dbraw/zinc/98/98/53/382989853.db2.gz DXPQVKYKVPRUCH-QGZVFWFLSA-N 1 1 271.360 2.806 50 0 CFAAMO C[C@H](C(=O)Nc1ccccn1)[N@@H+](C)C1Cc2ccccc2C1 ZINC000244734288 382990676 /nfs/dbraw/zinc/99/06/76/382990676.db2.gz NCTWTSNKKSJGBV-CYBMUJFWSA-N 1 1 295.386 2.508 50 0 CFAAMO CCc1nc(CN2CCC[C@@H]2c2ccc(F)cc2)n[nH]1 ZINC000244828600 382992290 /nfs/dbraw/zinc/99/22/90/382992290.db2.gz TZEBIONGGLYNHF-CYBMUJFWSA-N 1 1 274.343 2.843 50 0 CFAAMO COc1ccc(C[N@@H+](C)CCC(C)(C)O)c2cccnc12 ZINC000244795355 382993464 /nfs/dbraw/zinc/99/34/64/382993464.db2.gz REVABLSUKYEXRC-UHFFFAOYSA-N 1 1 288.391 2.836 50 0 CFAAMO C[N@@H+](CCn1ccc2ccccc21)C[C@@H]1CCOC1 ZINC000244873003 382994369 /nfs/dbraw/zinc/99/43/69/382994369.db2.gz WIFUAAFMVFCXGE-AWEZNQCLSA-N 1 1 258.365 2.610 50 0 CFAAMO C[N@H+](Cc1cc(-c2ccccn2)no1)C[C@H]1CCCOC1 ZINC000244900300 382995697 /nfs/dbraw/zinc/99/56/97/382995697.db2.gz ZZRZVUOMBYYBHG-CYBMUJFWSA-N 1 1 287.363 2.595 50 0 CFAAMO C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1C)c1cccs1 ZINC000245382099 382997718 /nfs/dbraw/zinc/99/77/18/382997718.db2.gz HAORNFIYIXZFPZ-VXGBXAGGSA-N 1 1 266.410 2.800 50 0 CFAAMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245735390 383030024 /nfs/dbraw/zinc/03/00/24/383030024.db2.gz WPCIPBUKEPRQOK-FMKPAKJESA-N 1 1 270.380 2.922 50 0 CFAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000247016476 383132320 /nfs/dbraw/zinc/13/23/20/383132320.db2.gz SFGVXXIRTPCRIM-MGPQQGTHSA-N 1 1 252.402 2.508 50 0 CFAAMO C[C@H]1C[C@@H](NCc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118628 383115285 /nfs/dbraw/zinc/11/52/85/383115285.db2.gz WCFJVJDFJXUAKJ-ZFWWWQNUSA-N 1 1 271.408 2.751 50 0 CFAAMO C[C@H]1C[C@@H](NCc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118628 383115294 /nfs/dbraw/zinc/11/52/94/383115294.db2.gz WCFJVJDFJXUAKJ-ZFWWWQNUSA-N 1 1 271.408 2.751 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC1CCCC1 ZINC000248133746 383213230 /nfs/dbraw/zinc/21/32/30/383213230.db2.gz NXHJCRHOEQIQJR-LSDHHAIUSA-N 1 1 264.413 2.652 50 0 CFAAMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000247754987 383194874 /nfs/dbraw/zinc/19/48/74/383194874.db2.gz VUFDWMHLJOXADP-HOCLYGCPSA-N 1 1 272.392 2.798 50 0 CFAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000248079619 383210332 /nfs/dbraw/zinc/21/03/32/383210332.db2.gz ABJHTZWHILESBO-DLBZAZTESA-N 1 1 286.419 2.704 50 0 CFAAMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000248450378 383245043 /nfs/dbraw/zinc/24/50/43/383245043.db2.gz FOYAKIPCQDYRNE-RDBSUJKOSA-N 1 1 262.401 2.778 50 0 CFAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCc2ccsc2)C1 ZINC000426724067 383409939 /nfs/dbraw/zinc/40/99/39/383409939.db2.gz YHDCJBSDTCECIU-LBPRGKRZSA-N 1 1 293.436 2.516 50 0 CFAAMO CCOC(=O)C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253392224 383455346 /nfs/dbraw/zinc/45/53/46/383455346.db2.gz NMEQGSJOIDVXSA-CABCVRRESA-N 1 1 295.354 2.541 50 0 CFAAMO CCOC(=O)C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253392224 383455353 /nfs/dbraw/zinc/45/53/53/383455353.db2.gz NMEQGSJOIDVXSA-CABCVRRESA-N 1 1 295.354 2.541 50 0 CFAAMO CCn1nccc1CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000253420504 383457099 /nfs/dbraw/zinc/45/70/99/383457099.db2.gz JXHHREJBOYHCBO-MRXNPFEDSA-N 1 1 284.407 2.632 50 0 CFAAMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000253425512 383458113 /nfs/dbraw/zinc/45/81/13/383458113.db2.gz DBXOQPXMVOJYNM-CYBMUJFWSA-N 1 1 279.355 2.991 50 0 CFAAMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc2nonc21 ZINC000253426315 383458974 /nfs/dbraw/zinc/45/89/74/383458974.db2.gz ZDJDMUHRQPADKD-CQSZACIVSA-N 1 1 297.362 2.900 50 0 CFAAMO C[C@@H](C[N@@H+]1CC[S@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000252584966 383420081 /nfs/dbraw/zinc/42/00/81/383420081.db2.gz FCZPJWVBKKNFNG-BUXKBTBVSA-N 1 1 283.412 2.772 50 0 CFAAMO C[C@@H](C[N@H+]1CC[S@](=O)C(C)(C)C1)c1ccc(F)cc1 ZINC000252584966 383420084 /nfs/dbraw/zinc/42/00/84/383420084.db2.gz FCZPJWVBKKNFNG-BUXKBTBVSA-N 1 1 283.412 2.772 50 0 CFAAMO Fc1ccc(/C=C\C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000255728831 383486542 /nfs/dbraw/zinc/48/65/42/383486542.db2.gz DJMLQVGAYZIVRL-SWQCVOCJSA-N 1 1 286.354 2.768 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)C3CC3)C2)n1C(C)C ZINC000257177218 383490031 /nfs/dbraw/zinc/49/00/31/383490031.db2.gz DMRAJHQMBVMNAL-CYBMUJFWSA-N 1 1 275.396 2.573 50 0 CFAAMO CNC(=O)NCCc1[nH+]cc(C)n1C1CCCCCCC1 ZINC000257185838 383492193 /nfs/dbraw/zinc/49/21/93/383492193.db2.gz JWCSGPQDPLVLRO-UHFFFAOYSA-N 1 1 292.427 2.948 50 0 CFAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)C3CC3)C2)n1C(C)C ZINC000257188791 383492394 /nfs/dbraw/zinc/49/23/94/383492394.db2.gz NDIAFUBYFKGEOM-CQSZACIVSA-N 1 1 289.423 2.964 50 0 CFAAMO Cn1cc(CC[N@H+]2CCC[C@H]2c2cccs2)cn1 ZINC000265447394 383919253 /nfs/dbraw/zinc/91/92/53/383919253.db2.gz SDVIJRGLWQAVJY-ZDUSSCGKSA-N 1 1 261.394 2.861 50 0 CFAAMO CN(Cc1ccn(C)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000271096408 385335985 /nfs/dbraw/zinc/33/59/85/385335985.db2.gz LRQMYXFXTVWKLP-SFHVURJKSA-N 1 1 298.434 2.517 50 0 CFAAMO Cc1ncn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000284166097 385543921 /nfs/dbraw/zinc/54/39/21/385543921.db2.gz QLMUVUDXBYDORH-GOSISDBHSA-N 1 1 299.418 2.791 50 0 CFAAMO COCC[N@@H+](C)Cc1c(C)cc(C)cc1-n1cccn1 ZINC000824405546 781991526 /nfs/dbraw/zinc/99/15/26/781991526.db2.gz YBRIIGJRYGCZBZ-UHFFFAOYSA-N 1 1 273.380 2.567 50 0 CFAAMO CC[N@@H+](C)[C@H](C)CCNc1cc(C(C)C)ncn1 ZINC000095352411 184949837 /nfs/dbraw/zinc/94/98/37/184949837.db2.gz GJQKTBOTHBRZCG-GFCCVEGCSA-N 1 1 250.390 2.742 50 0 CFAAMO COc1cccc2c1OC[C@H](Cc1ccc(N(C)C)[nH+]c1)C2 ZINC000095361725 184952998 /nfs/dbraw/zinc/95/29/98/184952998.db2.gz ILHDOOZSUNESRN-CQSZACIVSA-N 1 1 298.386 2.950 50 0 CFAAMO c1c[nH+]c([C@H]2CCCN(c3cnc4ccccc4n3)C2)[nH]1 ZINC000075721918 285428571 /nfs/dbraw/zinc/42/85/71/285428571.db2.gz RLLNMQBBGBRPJT-LBPRGKRZSA-N 1 1 279.347 2.737 50 0 CFAAMO CC[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1c1ccccc1 ZINC000241326155 131080307 /nfs/dbraw/zinc/08/03/07/131080307.db2.gz LZQBVWKWBCVNTA-NVXWUHKLSA-N 1 1 284.407 2.794 50 0 CFAAMO COc1ccc(-c2noc(C[N@H+]3CC[C@@H](C)C3)n2)cc1 ZINC000263651956 131302178 /nfs/dbraw/zinc/30/21/78/131302178.db2.gz BSBBESYMQJIKKR-LLVKDONJSA-N 1 1 273.336 2.587 50 0 CFAAMO Cc1c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cnn1C ZINC000268917698 132088040 /nfs/dbraw/zinc/08/80/40/132088040.db2.gz VPAPBCWBZVWOHD-NSHDSACASA-N 1 1 261.291 2.503 50 0 CFAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)C[C@H]1C ZINC000004626727 393459325 /nfs/dbraw/zinc/45/93/25/393459325.db2.gz UVAZQQHAVMNMHE-CZUORRHYSA-N 1 1 261.365 2.807 50 0 world CFAAMO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC2)C1 ZINC000014979073 393479719 /nfs/dbraw/zinc/47/97/19/393479719.db2.gz UZCWNSWLMPVRNG-HZPDHXFCSA-N 1 1 278.440 2.755 50 0 CFAAMO CCC[N@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000058399448 393624212 /nfs/dbraw/zinc/62/42/12/393624212.db2.gz FPWVUBIHFYUFHW-UHFFFAOYSA-N 1 1 291.351 2.596 50 0 CFAAMO CCC[N@@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000058399448 393624218 /nfs/dbraw/zinc/62/42/18/393624218.db2.gz FPWVUBIHFYUFHW-UHFFFAOYSA-N 1 1 291.351 2.596 50 0 CFAAMO CC(C)(C)c1ncc2c(n1)CN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000067514427 393632911 /nfs/dbraw/zinc/63/29/11/393632911.db2.gz PFCATGNDOHSQEE-UHFFFAOYSA-N 1 1 294.362 2.566 50 0 CFAAMO CC[C@@](OC(C)=O)(c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000071772246 393641193 /nfs/dbraw/zinc/64/11/93/393641193.db2.gz JGSQNSNIRULOTK-JKSUJKDBSA-N 1 1 261.365 2.807 50 0 CFAAMO CN(C)C(=O)C[N@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072154333 393642457 /nfs/dbraw/zinc/64/24/57/393642457.db2.gz IDMXCFNTMUZMOZ-OAHLLOKOSA-N 1 1 292.398 2.559 50 0 CFAAMO Cc1cc(C)c(C(N)=O)c(N2CC[C@@H]3CCCC[C@H]3C2)[nH+]1 ZINC000207297559 393752376 /nfs/dbraw/zinc/75/23/76/393752376.db2.gz KVFOLCVQRWYQJH-KBPBESRZSA-N 1 1 287.407 2.814 50 0 CFAAMO CC(C)c1nn(C)cc1C[N@@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000242305042 393798128 /nfs/dbraw/zinc/79/81/28/393798128.db2.gz YUGWOWQRQMPQTR-FUHWJXTLSA-N 1 1 299.418 2.634 50 0 CFAAMO O[C@@H](C[N@@H+](C[C@@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000096424441 393829609 /nfs/dbraw/zinc/82/96/09/393829609.db2.gz SDVBRRUTFLVHJS-HOTGVXAUSA-N 1 1 279.355 2.503 50 0 CFAAMO CCOC(=O)[C@@H]1[C@@H](C[N@@H+](CCOC)[C@H](C)C2CC2)C1(C)C ZINC000252511607 393937132 /nfs/dbraw/zinc/93/71/32/393937132.db2.gz IOTAGSUDDFIWCC-YUELXQCFSA-N 1 1 297.439 2.569 50 0 CFAAMO CCc1cc2c(ncnc2N2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000029587311 134755506 /nfs/dbraw/zinc/75/55/06/134755506.db2.gz ZYUPFFVHIXMUKZ-LLVKDONJSA-N 1 1 288.420 2.538 50 0 CFAAMO Cc1cnn(C)c1C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000290487798 394230172 /nfs/dbraw/zinc/23/01/72/394230172.db2.gz VSNWHQYDCTXERN-ZDUSSCGKSA-N 1 1 271.364 2.512 50 0 CFAAMO Cc1cnn(C)c1C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000290487798 394230175 /nfs/dbraw/zinc/23/01/75/394230175.db2.gz VSNWHQYDCTXERN-ZDUSSCGKSA-N 1 1 271.364 2.512 50 0 CFAAMO Cc1ccccc1N1CC[NH+](Cc2ccoc2)CC1 ZINC000055543841 134926825 /nfs/dbraw/zinc/92/68/25/134926825.db2.gz VHZVGARIFUNMBB-UHFFFAOYSA-N 1 1 256.349 2.910 50 0 CFAAMO c1cncc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000521396499 394381055 /nfs/dbraw/zinc/38/10/55/394381055.db2.gz JQTMDROTTACXDK-MRXNPFEDSA-N 1 1 253.349 2.856 50 0 CFAAMO Clc1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000091480135 135070981 /nfs/dbraw/zinc/07/09/81/135070981.db2.gz ARTYQLHANVGSOI-SNVBAGLBSA-N 1 1 262.744 2.842 50 0 CFAAMO CCN(C(=O)C[N@H+](C)[C@H](C)c1ccccc1OC)C1CC1 ZINC000047886974 397588124 /nfs/dbraw/zinc/58/81/24/397588124.db2.gz SZXSUPQFWAXQAX-CYBMUJFWSA-N 1 1 290.407 2.699 50 0 CFAAMO CCN(C(=O)C[N@@H+](C)[C@H](C)c1ccccc1OC)C1CC1 ZINC000047886974 397588125 /nfs/dbraw/zinc/58/81/25/397588125.db2.gz SZXSUPQFWAXQAX-CYBMUJFWSA-N 1 1 290.407 2.699 50 0 CFAAMO C[N@H+](Cc1ccc2[nH]ccc2c1)Cc1cnccn1 ZINC000215139888 397619390 /nfs/dbraw/zinc/61/93/90/397619390.db2.gz NRKWBVPTQXPMPJ-UHFFFAOYSA-N 1 1 252.321 2.590 50 0 CFAAMO C[N@@H+](Cc1ccc2[nH]ccc2c1)Cc1cnccn1 ZINC000215139888 397619392 /nfs/dbraw/zinc/61/93/92/397619392.db2.gz NRKWBVPTQXPMPJ-UHFFFAOYSA-N 1 1 252.321 2.590 50 0 CFAAMO Cc1[nH+]cn(CCNc2nc(C)nc3sccc32)c1C ZINC000825268951 782006577 /nfs/dbraw/zinc/00/65/77/782006577.db2.gz DEFBYVBWFYXMGC-UHFFFAOYSA-N 1 1 287.392 2.925 50 0 CFAAMO Cc1nccn1C[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000825284211 782008538 /nfs/dbraw/zinc/00/85/38/782008538.db2.gz XLUNRAHMPICHPG-QGZVFWFLSA-N 1 1 299.418 2.983 50 0 CFAAMO Cc1cc2cccc(C(=O)NCCn3c[nH+]c(C)c3C)c2o1 ZINC000825307247 782009667 /nfs/dbraw/zinc/00/96/67/782009667.db2.gz QCAKHLOEUARCPV-UHFFFAOYSA-N 1 1 297.358 2.985 50 0 CFAAMO Cc1cccc(OCC[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367065711 156275737 /nfs/dbraw/zinc/27/57/37/156275737.db2.gz GUAIUFODLJBACO-KRWDZBQOSA-N 1 1 275.392 2.876 50 0 CFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1CCC1 ZINC000000526252 292354791 /nfs/dbraw/zinc/35/47/91/292354791.db2.gz AMXKHKZYEPHIKK-DOTOQJQBSA-N 1 1 284.403 2.929 50 0 CFAAMO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000373813843 157034813 /nfs/dbraw/zinc/03/48/13/157034813.db2.gz YAHPFIUXNNITGI-AWEZNQCLSA-N 1 1 293.411 2.709 50 0 CFAAMO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000248869193 287218756 /nfs/dbraw/zinc/21/87/56/287218756.db2.gz ZJROJJVTXSZWPC-NFAWXSAZSA-N 1 1 250.430 2.885 50 0 CFAAMO C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc(F)c(F)c1F ZINC000003414619 169886728 /nfs/dbraw/zinc/88/67/28/169886728.db2.gz IFJHONUOKGQGPY-QMMMGPOBSA-N 1 1 298.264 2.814 50 0 CFAAMO O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCCC1 ZINC000004745038 170010535 /nfs/dbraw/zinc/01/05/35/170010535.db2.gz DUCAGEQAEQJQCQ-HNNXBMFYSA-N 1 1 290.382 2.660 50 0 CFAAMO COc1ccc(C(=O)O[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785707 170016663 /nfs/dbraw/zinc/01/66/63/170016663.db2.gz DXLIAGZRNHJCQN-TYNCELHUSA-N 1 1 277.364 2.581 50 0 CFAAMO O=C(NC[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000004907133 170039950 /nfs/dbraw/zinc/03/99/50/170039950.db2.gz HMXPRCLCNGEGHJ-UHFFFAOYSA-N 1 1 267.760 2.905 50 0 CFAAMO CCOc1cc(C[NH+]2CCSCC2)ccc1OC ZINC000004977935 170048318 /nfs/dbraw/zinc/04/83/18/170048318.db2.gz KTZODXDCBGACKW-UHFFFAOYSA-N 1 1 267.394 2.643 50 0 CFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000006730657 170235315 /nfs/dbraw/zinc/23/53/15/170235315.db2.gz ZSOHJHUUQOSOQJ-LBPRGKRZSA-N 1 1 260.381 2.974 50 0 CFAAMO Cc1ccc(C[NH+](Cc2ccc(C)o2)C[C@@H](C)O)o1 ZINC000008320266 170330844 /nfs/dbraw/zinc/33/08/44/170330844.db2.gz PPHGTLLEUMLUDW-LLVKDONJSA-N 1 1 263.337 2.872 50 0 CFAAMO COc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1O ZINC000020123232 171004369 /nfs/dbraw/zinc/00/43/69/171004369.db2.gz DFHWEUURVRRMCZ-LLVKDONJSA-N 1 1 258.321 2.647 50 0 CFAAMO c1coc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000020294350 171134731 /nfs/dbraw/zinc/13/47/31/171134731.db2.gz WCMGYVUMSAZKQX-GFCCVEGCSA-N 1 1 273.336 2.920 50 0 CFAAMO Cc1nc[nH]c1CN[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000020920707 171280007 /nfs/dbraw/zinc/28/00/07/171280007.db2.gz KFZOIRWSZBUNCG-MRXNPFEDSA-N 1 1 290.455 2.852 50 0 CFAAMO Cc1nc[nH]c1C[NH2+][C@@H]1CCCN(CC2CCCCC2)C1 ZINC000020920707 171280009 /nfs/dbraw/zinc/28/00/09/171280009.db2.gz KFZOIRWSZBUNCG-MRXNPFEDSA-N 1 1 290.455 2.852 50 0 CFAAMO CN(C)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022064319 171351745 /nfs/dbraw/zinc/35/17/45/171351745.db2.gz OMMZHBDJIRWLHC-UHFFFAOYSA-N 1 1 294.398 2.947 50 0 CFAAMO COc1cc(C)c(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)cc1C ZINC000022078350 171352633 /nfs/dbraw/zinc/35/26/33/171352633.db2.gz NDYMOTGQDAHZLB-DOTOQJQBSA-N 1 1 288.435 2.981 50 0 CFAAMO C[C@@H]1CCCCN1CC[N@@H+](C)C1CCSCC1 ZINC000065529262 287269118 /nfs/dbraw/zinc/26/91/18/287269118.db2.gz ICMMGBKFYNBOGC-CYBMUJFWSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@@H]1CCCC[N@@H+]1CCN(C)C1CCSCC1 ZINC000065529262 287269119 /nfs/dbraw/zinc/26/91/19/287269119.db2.gz ICMMGBKFYNBOGC-CYBMUJFWSA-N 1 1 256.459 2.688 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CCN(C)C1CCSCC1 ZINC000065529262 287269120 /nfs/dbraw/zinc/26/91/20/287269120.db2.gz ICMMGBKFYNBOGC-CYBMUJFWSA-N 1 1 256.459 2.688 50 0 CFAAMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc2cc[nH]c2cn1 ZINC000655179355 414137114 /nfs/dbraw/zinc/13/71/14/414137114.db2.gz MOFRFBFNZPTRAM-NSHDSACASA-N 1 1 297.362 2.912 50 0 CFAAMO COC(=O)[C@@H]([NH3+])Cc1ccc(-c2cccc(C(C)=O)c2)cc1 ZINC000038518563 174143502 /nfs/dbraw/zinc/14/35/02/174143502.db2.gz IQBUXRJXWYVDFW-KRWDZBQOSA-N 1 1 297.354 2.599 50 0 CFAAMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000039478875 174168623 /nfs/dbraw/zinc/16/86/23/174168623.db2.gz QQVXALIFXBMDAN-OAHLLOKOSA-N 1 1 297.358 2.907 50 0 CFAAMO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000039478875 174168624 /nfs/dbraw/zinc/16/86/24/174168624.db2.gz QQVXALIFXBMDAN-OAHLLOKOSA-N 1 1 297.358 2.907 50 0 CFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCc1ccco1 ZINC000040105871 174191507 /nfs/dbraw/zinc/19/15/07/174191507.db2.gz OHSUENULYHBYOP-AWEZNQCLSA-N 1 1 290.388 2.794 50 0 CFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCc1ccco1 ZINC000040105871 174191509 /nfs/dbraw/zinc/19/15/09/174191509.db2.gz OHSUENULYHBYOP-AWEZNQCLSA-N 1 1 290.388 2.794 50 0 CFAAMO CC[N@H+](CC(=O)NC(C)(C)C)Cc1cccc(F)c1 ZINC000040161821 174196409 /nfs/dbraw/zinc/19/64/09/174196409.db2.gz ZQVBFSGZPIIDDB-UHFFFAOYSA-N 1 1 266.360 2.562 50 0 CFAAMO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1cccc(F)c1 ZINC000040161821 174196412 /nfs/dbraw/zinc/19/64/12/174196412.db2.gz ZQVBFSGZPIIDDB-UHFFFAOYSA-N 1 1 266.360 2.562 50 0 CFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccsc1 ZINC000040465782 174274969 /nfs/dbraw/zinc/27/49/69/174274969.db2.gz AETXOHWYLCBCSU-GFCCVEGCSA-N 1 1 266.410 2.581 50 0 CFAAMO CCC[C@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000040535024 174319848 /nfs/dbraw/zinc/31/98/48/174319848.db2.gz SDCJRJWPIKQBTC-LBPRGKRZSA-N 1 1 286.379 2.628 50 0 CFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)C2CCCC2)cn1 ZINC000040539033 174321839 /nfs/dbraw/zinc/32/18/39/174321839.db2.gz IVQILROWECMVPU-UHFFFAOYSA-N 1 1 270.336 2.704 50 0 CFAAMO CC[C@H](C)NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000043643097 175084827 /nfs/dbraw/zinc/08/48/27/175084827.db2.gz WJJWRFZJLXKTOF-ZDUSSCGKSA-N 1 1 260.381 2.566 50 0 CFAAMO CC[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000043643097 175084829 /nfs/dbraw/zinc/08/48/29/175084829.db2.gz WJJWRFZJLXKTOF-ZDUSSCGKSA-N 1 1 260.381 2.566 50 0 CFAAMO CCOc1cc(CNC[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000044534371 175196930 /nfs/dbraw/zinc/19/69/30/175196930.db2.gz QITFIDSJVMMNJP-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1cc(CNC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000044534371 175196932 /nfs/dbraw/zinc/19/69/32/175196932.db2.gz QITFIDSJVMMNJP-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CCOc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)ccc1OC ZINC000044534371 175196933 /nfs/dbraw/zinc/19/69/33/175196933.db2.gz QITFIDSJVMMNJP-HNNXBMFYSA-N 1 1 292.423 2.525 50 0 CFAAMO CC(C)Oc1ccccc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044686163 175231962 /nfs/dbraw/zinc/23/19/62/175231962.db2.gz KVEWFDNFYPNWQL-OAHLLOKOSA-N 1 1 274.408 2.800 50 0 CFAAMO CC(C)Oc1ccccc1CN[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044686163 175231964 /nfs/dbraw/zinc/23/19/64/175231964.db2.gz KVEWFDNFYPNWQL-OAHLLOKOSA-N 1 1 274.408 2.800 50 0 CFAAMO CC(C)C[C@@H](C)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000045769756 175383591 /nfs/dbraw/zinc/38/35/91/175383591.db2.gz PWEHIKPFADXMAN-CYBMUJFWSA-N 1 1 288.391 2.649 50 0 CFAAMO CSCC[C@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000045893203 175385556 /nfs/dbraw/zinc/38/55/56/175385556.db2.gz YRMRZLXVUUGGKJ-JTQLQIEISA-N 1 1 267.329 2.629 50 0 CFAAMO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000069589621 175840999 /nfs/dbraw/zinc/84/09/99/175840999.db2.gz YOWCXUFZGUTUPY-QWRGUYRKSA-N 1 1 284.350 2.776 50 0 CFAAMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000071721587 176252902 /nfs/dbraw/zinc/25/29/02/176252902.db2.gz UUYANNMUOWASRV-CVEARBPZSA-N 1 1 287.407 2.786 50 0 CFAAMO c1ccc([C@@H]2C[N@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804918 176267036 /nfs/dbraw/zinc/26/70/36/176267036.db2.gz IFUPOTDLWSCFJV-KRWDZBQOSA-N 1 1 268.360 2.698 50 0 CFAAMO c1ccc([C@@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1 ZINC000071804918 176267038 /nfs/dbraw/zinc/26/70/38/176267038.db2.gz IFUPOTDLWSCFJV-KRWDZBQOSA-N 1 1 268.360 2.698 50 0 CFAAMO Cc1cc(C[N@H+](C)C[C@@H](O)c2ccc(C)c(C)c2)no1 ZINC000071828136 176272571 /nfs/dbraw/zinc/27/25/71/176272571.db2.gz HYLRSOGLGHNTPT-MRXNPFEDSA-N 1 1 274.364 2.765 50 0 CFAAMO Cc1cc(C[N@@H+](C)C[C@@H](O)c2ccc(C)c(C)c2)no1 ZINC000071828136 176272573 /nfs/dbraw/zinc/27/25/73/176272573.db2.gz HYLRSOGLGHNTPT-MRXNPFEDSA-N 1 1 274.364 2.765 50 0 CFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000071870679 176283430 /nfs/dbraw/zinc/28/34/30/176283430.db2.gz NDBJHNNNPMEPGL-HUUCEWRRSA-N 1 1 287.407 2.965 50 0 CFAAMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc2cc[nH]c2c1 ZINC000071883379 176289435 /nfs/dbraw/zinc/28/94/35/176289435.db2.gz CINPDYLWWYGXQT-HNNXBMFYSA-N 1 1 297.402 2.915 50 0 CFAAMO CCOC(=O)CCCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000071916175 176299485 /nfs/dbraw/zinc/29/94/85/176299485.db2.gz CUGOMNAMCIAOIE-CQSZACIVSA-N 1 1 264.369 2.885 50 0 CFAAMO COc1ccc(CCC[N@@H+](C)CCCc2cn[nH]c2)cc1 ZINC000071921547 176300848 /nfs/dbraw/zinc/30/08/48/176300848.db2.gz TVCJNTVCPUSOSE-UHFFFAOYSA-N 1 1 287.407 2.916 50 0 CFAAMO COc1ccc(/C=C/C[N@H+]2CCCn3cncc3C2)cc1 ZINC000072128160 176320985 /nfs/dbraw/zinc/32/09/85/176320985.db2.gz XGIIKJYJPQRENF-DUXPYHPUSA-N 1 1 283.375 2.811 50 0 CFAAMO C[N@H+](Cc1cccc2ncccc12)C[C@H]1CCOC1 ZINC000072146345 176325112 /nfs/dbraw/zinc/32/51/12/176325112.db2.gz LJWUKWQOGVBKCJ-CYBMUJFWSA-N 1 1 256.349 2.703 50 0 CFAAMO c1ccc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)nc1 ZINC000072146189 176325258 /nfs/dbraw/zinc/32/52/58/176325258.db2.gz YEAPWTMMUYDOGG-KRWDZBQOSA-N 1 1 283.375 2.658 50 0 CFAAMO CC(C)n1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000072286905 176360364 /nfs/dbraw/zinc/36/03/64/176360364.db2.gz AKIJSNYOTGDZGA-ZDUSSCGKSA-N 1 1 273.384 2.567 50 0 CFAAMO CC(C)n1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000072286905 176360365 /nfs/dbraw/zinc/36/03/65/176360365.db2.gz AKIJSNYOTGDZGA-ZDUSSCGKSA-N 1 1 273.384 2.567 50 0 CFAAMO CCN(C(=O)CCCn1cc[nH+]c1C)c1nc(C)cs1 ZINC000078123840 177323271 /nfs/dbraw/zinc/32/32/71/177323271.db2.gz KIMGZWPVRFCVFX-UHFFFAOYSA-N 1 1 292.408 2.790 50 0 CFAAMO COC(=O)c1oc([C@H](C)[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1C ZINC000246152066 274009568 /nfs/dbraw/zinc/00/95/68/274009568.db2.gz SZIOYUUQRMSDON-RWMBFGLXSA-N 1 1 295.379 2.528 50 0 CFAAMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2N)cc1 ZINC000034912489 274104325 /nfs/dbraw/zinc/10/43/25/274104325.db2.gz VABXEVIAFSGTCU-UHFFFAOYSA-N 1 1 253.305 2.901 50 0 CFAAMO CC[N@@H+](C)C(C)(C)Cn1ccnc1-c1ccccn1 ZINC000067787375 276068900 /nfs/dbraw/zinc/06/89/00/276068900.db2.gz XGVGMFFBNSEZAO-UHFFFAOYSA-N 1 1 258.369 2.675 50 0 CFAAMO CCOC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000000526070 276283793 /nfs/dbraw/zinc/28/37/93/276283793.db2.gz ZHDPUUULDGKDHV-ZFWWWQNUSA-N 1 1 274.364 2.759 50 0 CFAAMO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000006007990 278248781 /nfs/dbraw/zinc/24/87/81/278248781.db2.gz AXQKWRMPCYVYQL-XJKSGUPXSA-N 1 1 291.391 2.503 50 0 CFAAMO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@H](C)n1cccn1 ZINC000069979369 278360087 /nfs/dbraw/zinc/36/00/87/278360087.db2.gz XNOIGMKQNVQWFY-NEPJUHHUSA-N 1 1 276.384 2.908 50 0 CFAAMO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142116 279061320 /nfs/dbraw/zinc/06/13/20/279061320.db2.gz DOICJUOBAFWQJM-WDEREUQCSA-N 1 1 261.291 2.929 50 0 CFAAMO C[C@H](C1CC1)[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CC1 ZINC000031654333 279241862 /nfs/dbraw/zinc/24/18/62/279241862.db2.gz ODEOQZRMTQRCLM-SNVBAGLBSA-N 1 1 289.404 2.519 50 0 CFAAMO Clc1cccc([C@@H]2[NH2+]CCc3nc[nH]c32)c1Cl ZINC000012243800 279294794 /nfs/dbraw/zinc/29/47/94/279294794.db2.gz LUTMJVYTDHJUIF-NSHDSACASA-N 1 1 268.147 2.952 50 0 CFAAMO Cc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)[nH+]c2ccccc12 ZINC000828248298 782083710 /nfs/dbraw/zinc/08/37/10/782083710.db2.gz XZZWRGSXIXIEDW-CYBMUJFWSA-N 1 1 295.386 2.966 50 0 CFAAMO CC[N@H+](C)C1(CNc2nc(C)[nH]c(=O)c2Cl)CCCC1 ZINC000534647362 328342701 /nfs/dbraw/zinc/34/27/01/328342701.db2.gz UDKHXVRVFXINAW-UHFFFAOYSA-N 1 1 298.818 2.820 50 0 CFAAMO CC[N@@H+](C)C1(CNc2nc(C)[nH]c(=O)c2Cl)CCCC1 ZINC000534647362 328342703 /nfs/dbraw/zinc/34/27/03/328342703.db2.gz UDKHXVRVFXINAW-UHFFFAOYSA-N 1 1 298.818 2.820 50 0 CFAAMO Cc1cccc(CC2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000534667845 328346222 /nfs/dbraw/zinc/34/62/22/328346222.db2.gz NXKCYAQAMPORBU-INIZCTEOSA-N 1 1 286.419 2.671 50 0 CFAAMO CC[N@@H+](C)C1(CNC(=O)c2cccc(O)c2C)CCCC1 ZINC000534673722 328348830 /nfs/dbraw/zinc/34/88/30/328348830.db2.gz VETUYBKLYBYBON-UHFFFAOYSA-N 1 1 290.407 2.695 50 0 CFAAMO CCc1noc([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000097100391 323617858 /nfs/dbraw/zinc/61/78/58/323617858.db2.gz VZCRGDLYQLSMKE-NXEZZACHSA-N 1 1 267.373 2.629 50 0 CFAAMO Cc1cccc(C[NH2+]Cc2cnn(C)c2)c1Br ZINC000190320166 324039456 /nfs/dbraw/zinc/03/94/56/324039456.db2.gz GUOSVHXWJUUKGK-UHFFFAOYSA-N 1 1 294.196 2.781 50 0 CFAAMO C[C@H](C[N@H+]1CCC[C@@H](CC(N)=O)C1)c1ccc(F)cc1 ZINC000195573025 324109137 /nfs/dbraw/zinc/10/91/37/324109137.db2.gz JBNMCQKSYZBRLO-OLZOCXBDSA-N 1 1 278.371 2.517 50 0 CFAAMO