smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000096730986 185110900 /nfs/dbraw/zinc/11/09/00/185110900.db2.gz BOPSLODZJGVTLF-UGEDRFTOSA-N 1 1 266.388 4.178 20 0 CIADMO CC[N@@H+](Cc1cccs1)Cc1ccc(F)c(F)c1 ZINC000096954337 185140416 /nfs/dbraw/zinc/14/04/16/185140416.db2.gz XQYBUAVEKRJIAD-UHFFFAOYSA-N 1 1 267.344 4.048 20 0 CIADMO C[N@@H+](Cc1cccnc1)C1c2ccccc2-c2ccccc21 ZINC000096971703 185144173 /nfs/dbraw/zinc/14/41/73/185144173.db2.gz VABIDBULXJMMGN-UHFFFAOYSA-N 1 1 286.378 4.283 20 0 CIADMO CCc1ccc([C@H]([NH2+]Cc2cc(C)on2)C(C)C)cc1 ZINC000096982090 185145097 /nfs/dbraw/zinc/14/50/97/185145097.db2.gz XGKSRKNYTIKEPB-QGZVFWFLSA-N 1 1 272.392 4.032 20 0 CIADMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cn1 ZINC000347675272 529640067 /nfs/dbraw/zinc/64/00/67/529640067.db2.gz ODEYHMQXQQWMQD-OAHLLOKOSA-N 1 1 272.417 4.043 20 0 CIADMO CCc1ccc(C[N@H+]2CCc3sccc3[C@H]2CC)cn1 ZINC000347589943 529644566 /nfs/dbraw/zinc/64/45/66/529644566.db2.gz ADDMRMNGRMGNJH-MRXNPFEDSA-N 1 1 286.444 4.215 20 0 CIADMO CCc1ccc(C[N@@H+](C)Cc2csc3ccccc23)cn1 ZINC000347678507 529636261 /nfs/dbraw/zinc/63/62/61/529636261.db2.gz VUDRONNMYGKJFY-UHFFFAOYSA-N 1 1 296.439 4.491 20 0 CIADMO CCc1cnccc1[C@@H](C)[NH2+]Cc1ncc(C(C)C)s1 ZINC000344360750 529677696 /nfs/dbraw/zinc/67/76/96/529677696.db2.gz QVIDHKRLMGOQBY-GFCCVEGCSA-N 1 1 289.448 4.075 20 0 CIADMO CCc1ccc([C@@H](C)Nc2cc(C3CC3)cc[nH+]2)o1 ZINC000353565706 529707604 /nfs/dbraw/zinc/70/76/04/529707604.db2.gz XDLFLMILMPNQQI-LLVKDONJSA-N 1 1 256.349 4.288 20 0 CIADMO CCc1ncc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)s1 ZINC000353987956 529753051 /nfs/dbraw/zinc/75/30/51/529753051.db2.gz SEUYTTLMWFQFSB-QGZVFWFLSA-N 1 1 298.455 4.433 20 0 CIADMO CCc1ncc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)s1 ZINC000353987956 529753052 /nfs/dbraw/zinc/75/30/52/529753052.db2.gz SEUYTTLMWFQFSB-QGZVFWFLSA-N 1 1 298.455 4.433 20 0 CIADMO C[N@H+](CCCC1CCCCC1)Cc1nccn1C(F)F ZINC000347605692 529880764 /nfs/dbraw/zinc/88/07/64/529880764.db2.gz FTQFIBIHMNDCJN-UHFFFAOYSA-N 1 1 285.382 4.071 20 0 CIADMO C[N@@H+](CCCC1CCCCC1)Cc1nccn1C(F)F ZINC000347605692 529880766 /nfs/dbraw/zinc/88/07/66/529880766.db2.gz FTQFIBIHMNDCJN-UHFFFAOYSA-N 1 1 285.382 4.071 20 0 CIADMO C[N@@H+](Cc1ccn(C2CCCC2)n1)C1CCC(F)(F)CC1 ZINC000347624178 530010052 /nfs/dbraw/zinc/01/00/52/530010052.db2.gz ZVZYMFHVKNVBIF-UHFFFAOYSA-N 1 1 297.393 4.008 20 0 CIADMO C[N@@H+](Cc1ccoc1)Cc1ccc(-c2ccccc2F)o1 ZINC000352650196 530012825 /nfs/dbraw/zinc/01/28/25/530012825.db2.gz USENACATMPWGQY-UHFFFAOYSA-N 1 1 285.318 4.311 20 0 CIADMO C[N@H+](Cc1ccoc1)Cc1ccc(-c2ccccc2F)o1 ZINC000352650196 530012826 /nfs/dbraw/zinc/01/28/26/530012826.db2.gz USENACATMPWGQY-UHFFFAOYSA-N 1 1 285.318 4.311 20 0 CIADMO C[N@H+](Cc1ccoc1)Cc1ccccc1Oc1cccnc1 ZINC000354729093 530012944 /nfs/dbraw/zinc/01/29/44/530012944.db2.gz NSNLTMIGRXOUBT-UHFFFAOYSA-N 1 1 294.354 4.099 20 0 CIADMO C[N@@H+](Cc1ccoc1)Cc1ccccc1Oc1cccnc1 ZINC000354729093 530012946 /nfs/dbraw/zinc/01/29/46/530012946.db2.gz NSNLTMIGRXOUBT-UHFFFAOYSA-N 1 1 294.354 4.099 20 0 CIADMO Cc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)c2cccs2)no1 ZINC000573966050 334981336 /nfs/dbraw/zinc/98/13/36/334981336.db2.gz NAMBSEBBQTXMPF-OCCSQVGLSA-N 1 1 278.421 4.483 20 0 CIADMO CSCC[C@H](C)[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000576551596 335218218 /nfs/dbraw/zinc/21/82/18/335218218.db2.gz FWSYLOQARODXJI-ITKZLYELSA-N 1 1 285.403 4.051 20 0 CIADMO CC[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448336495 261118360 /nfs/dbraw/zinc/11/83/60/261118360.db2.gz DVWLZRYENPBOKS-GFCCVEGCSA-N 1 1 266.454 4.063 20 0 CIADMO Cc1cccc2c1cc[nH+]c2NCc1noc2c1CCCC2 ZINC000574272268 335005647 /nfs/dbraw/zinc/00/56/47/335005647.db2.gz NSEKXYNGKULWSF-UHFFFAOYSA-N 1 1 293.370 4.022 20 0 CIADMO CC[N@@H+]([C@@H](C)Cc1ccsc1)[C@@H](C)c1cccnc1 ZINC000574319486 335009948 /nfs/dbraw/zinc/00/99/48/335009948.db2.gz JCOLXJPSGDLYBR-KBPBESRZSA-N 1 1 274.433 4.157 20 0 CIADMO CCCC[C@H](C)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000574368630 335013799 /nfs/dbraw/zinc/01/37/99/335013799.db2.gz OWAYWCFUDBJOCS-VIFPVBQESA-N 1 1 280.359 4.172 20 0 CIADMO CCCC[C@H](C)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000574368630 335013800 /nfs/dbraw/zinc/01/38/00/335013800.db2.gz OWAYWCFUDBJOCS-VIFPVBQESA-N 1 1 280.359 4.172 20 0 CIADMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1nccn1C(C)C ZINC000574369974 335013930 /nfs/dbraw/zinc/01/39/30/335013930.db2.gz BXBYPSKWSUJAEI-MRXNPFEDSA-N 1 1 277.456 4.255 20 0 CIADMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1scnc1C ZINC000162750464 261293190 /nfs/dbraw/zinc/29/31/90/261293190.db2.gz AUJYUYABSRIZPD-UHFFFAOYSA-N 1 1 286.853 4.189 20 0 CIADMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(F)c(Cl)c2)s1 ZINC000163117778 261306169 /nfs/dbraw/zinc/30/61/69/261306169.db2.gz BPEPZINVIMGWTA-UHFFFAOYSA-N 1 1 298.814 4.269 20 0 CIADMO C[C@@H](Cc1ccsc1)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000574477323 335022982 /nfs/dbraw/zinc/02/29/82/335022982.db2.gz IJBBIYLHBIRUKN-NSHDSACASA-N 1 1 293.382 4.016 20 0 CIADMO Cc1ccc([C@H]2CC[N@@H+](Cc3scnc3C3CC3)C2)cc1 ZINC000574502903 335024169 /nfs/dbraw/zinc/02/41/69/335024169.db2.gz UKLUGNOOJGYDBP-INIZCTEOSA-N 1 1 298.455 4.318 20 0 CIADMO CO[C@H](c1ccccc1)[C@@H](C)Nc1cccc2cc[nH+]cc21 ZINC000574502832 335024256 /nfs/dbraw/zinc/02/42/56/335024256.db2.gz GNJBMMGVDPQJCR-KUHUBIRLSA-N 1 1 292.382 4.423 20 0 CIADMO FC1(F)CC[C@@H](C[N@H+]2CCC[C@H]2C2CCCC2)C1 ZINC000574657219 335037905 /nfs/dbraw/zinc/03/79/05/335037905.db2.gz FKJFBNKUIYCESD-OCCSQVGLSA-N 1 1 257.368 4.076 20 0 CIADMO CC[C@@H](CSC)[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000574766619 335045880 /nfs/dbraw/zinc/04/58/80/335045880.db2.gz TUROUMMTYZQULK-NSHDSACASA-N 1 1 286.510 4.014 20 0 CIADMO CC[C@@H](CSC)[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000574766619 335045881 /nfs/dbraw/zinc/04/58/81/335045881.db2.gz TUROUMMTYZQULK-NSHDSACASA-N 1 1 286.510 4.014 20 0 CIADMO CSc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)s1 ZINC000352840306 532959606 /nfs/dbraw/zinc/95/96/06/532959606.db2.gz NFEDHOXJSGQLPM-SECBINFHSA-N 1 1 284.475 4.086 20 0 CIADMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1cccnc1 ZINC000352246412 533026013 /nfs/dbraw/zinc/02/60/13/533026013.db2.gz PGEXIMGQXONAMK-MAUKXSAKSA-N 1 1 296.414 4.063 20 0 CIADMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1ccncc1 ZINC000352239948 533026342 /nfs/dbraw/zinc/02/63/42/533026342.db2.gz BCBJQRIEXNSYMF-MAUKXSAKSA-N 1 1 296.414 4.063 20 0 CIADMO CCCc1csc(C[NH2+][C@@H]2CCc3ccc(F)cc32)n1 ZINC000574818857 335050148 /nfs/dbraw/zinc/05/01/48/335050148.db2.gz VXMMNSSLROZDDX-OAHLLOKOSA-N 1 1 290.407 4.012 20 0 CIADMO Cc1cnccc1C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000574838199 335051628 /nfs/dbraw/zinc/05/16/28/335051628.db2.gz ZZPABBJHQBIPPZ-ZDUSSCGKSA-N 1 1 274.795 4.236 20 0 CIADMO Cc1cnccc1C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000574838199 335051629 /nfs/dbraw/zinc/05/16/29/335051629.db2.gz ZZPABBJHQBIPPZ-ZDUSSCGKSA-N 1 1 274.795 4.236 20 0 CIADMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCSC)o1 ZINC000525781313 262226726 /nfs/dbraw/zinc/22/67/26/262226726.db2.gz VHJNGBCGHLTWTD-UKRRQHHQSA-N 1 1 281.465 4.368 20 0 CIADMO CC1(C)C[N@@H+](CCCC2CCOCC2)[C@H]1c1cccs1 ZINC000575065504 335061089 /nfs/dbraw/zinc/06/10/89/335061089.db2.gz NBBWKPNCFCXGCD-INIZCTEOSA-N 1 1 293.476 4.338 20 0 CIADMO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccco1 ZINC000336208323 533526396 /nfs/dbraw/zinc/52/63/96/533526396.db2.gz BJAVLWXPKFOOJQ-LDYMZIIASA-N 1 1 281.277 4.035 20 0 CIADMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(SC)s1 ZINC000356121681 533592586 /nfs/dbraw/zinc/59/25/86/533592586.db2.gz JPIVUZVEZMLYCQ-SNVBAGLBSA-N 1 1 275.508 4.043 20 0 CIADMO Cc1ccnc(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)n1 ZINC000341594639 129901444 /nfs/dbraw/zinc/90/14/44/129901444.db2.gz JZTZZWGNFYIYTI-INIZCTEOSA-N 1 1 283.419 4.052 20 0 CIADMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000341833116 130064436 /nfs/dbraw/zinc/06/44/36/130064436.db2.gz DGADPADJAKWXBD-UHFFFAOYSA-N 1 1 294.320 4.123 20 0 CIADMO CC(C)[C@H](C)[N@@H+](C)Cc1csc(C2CCCC2)n1 ZINC000341812220 130072422 /nfs/dbraw/zinc/07/24/22/130072422.db2.gz XDNGHLLOFSJTHZ-LBPRGKRZSA-N 1 1 266.454 4.277 20 0 CIADMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341836917 130081303 /nfs/dbraw/zinc/08/13/03/130081303.db2.gz ZQAGNJQFQXGGCL-RISCZKNCSA-N 1 1 286.341 4.111 20 0 CIADMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341890516 130116003 /nfs/dbraw/zinc/11/60/03/130116003.db2.gz AHKXWAHJMMTQLI-NEPJUHHUSA-N 1 1 286.341 4.111 20 0 CIADMO C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC12CCC2 ZINC000341910535 130123815 /nfs/dbraw/zinc/12/38/15/130123815.db2.gz SCBSEMDHEQNCCA-GFCCVEGCSA-N 1 1 298.352 4.113 20 0 CIADMO c1sc2ccccc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342052224 130223082 /nfs/dbraw/zinc/22/30/82/130223082.db2.gz VAIDRLPEJJKXRM-CVEARBPZSA-N 1 1 287.428 4.045 20 0 CIADMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000342068761 130233226 /nfs/dbraw/zinc/23/32/26/130233226.db2.gz KJILGVANOAEYBN-TXEJJXNPSA-N 1 1 264.438 4.174 20 0 CIADMO Cc1ccnc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)n1 ZINC000342223726 130396557 /nfs/dbraw/zinc/39/65/57/130396557.db2.gz MVWAUNTWAQMFOP-GOSISDBHSA-N 1 1 295.430 4.196 20 0 CIADMO CC1(C)C[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@H]1C1CC1 ZINC000575101562 335065016 /nfs/dbraw/zinc/06/50/16/335065016.db2.gz RLYLJDVBNIZCNE-INIZCTEOSA-N 1 1 298.455 4.431 20 0 CIADMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2csc(C)n2)cc1F ZINC000037074675 260066978 /nfs/dbraw/zinc/06/69/78/260066978.db2.gz RHBCQPSDDPEWIH-NXEZZACHSA-N 1 1 294.395 4.011 20 0 CIADMO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000020096933 170996366 /nfs/dbraw/zinc/99/63/66/170996366.db2.gz PZUQDZALYNULLO-NWDGAFQWSA-N 1 1 291.341 4.385 20 0 CIADMO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1nc2ccccc2s1 ZINC000020121471 171000108 /nfs/dbraw/zinc/00/01/08/171000108.db2.gz AIWUVWAZUYMFMC-VXGBXAGGSA-N 1 1 283.400 4.103 20 0 CIADMO C[C@H]([NH2+]Cc1cccnc1)c1cc(Cl)ccc1Cl ZINC000020140902 171027668 /nfs/dbraw/zinc/02/76/68/171027668.db2.gz IGCKSJUDPIELEE-JTQLQIEISA-N 1 1 281.186 4.239 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1c(F)cccc1F ZINC000020148278 171036200 /nfs/dbraw/zinc/03/62/00/171036200.db2.gz NAMANDIXBSWAEG-VHSXEESVSA-N 1 1 267.344 4.438 20 0 CIADMO Cc1ccc(C)c([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000021027800 171291694 /nfs/dbraw/zinc/29/16/94/171291694.db2.gz GPYQDDXSIMAWLP-OAHLLOKOSA-N 1 1 288.479 4.263 20 0 CIADMO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000021033043 171291975 /nfs/dbraw/zinc/29/19/75/171291975.db2.gz QGNCQQCSZAFCIN-LBPRGKRZSA-N 1 1 294.870 4.300 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cc2ccccc2o1 ZINC000035738754 172392403 /nfs/dbraw/zinc/39/24/03/172392403.db2.gz IJLLOFODULOURT-NWDGAFQWSA-N 1 1 255.317 4.438 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ccco1 ZINC000035738753 172392569 /nfs/dbraw/zinc/39/25/69/172392569.db2.gz IJLLOFODULOURT-NEPJUHHUSA-N 1 1 255.317 4.438 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccco1 ZINC000037260402 173070662 /nfs/dbraw/zinc/07/06/62/173070662.db2.gz WXAPTNZWTLTYAR-VHSXEESVSA-N 1 1 267.731 4.484 20 0 CIADMO C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccco1 ZINC000037260420 173070959 /nfs/dbraw/zinc/07/09/59/173070959.db2.gz QMAKRXACEVFPMY-MFKMUULPSA-N 1 1 277.364 4.306 20 0 CIADMO CC[C@@H]1CCCC[N@H+]1Cc1sccc1Br ZINC000043501817 175058630 /nfs/dbraw/zinc/05/86/30/175058630.db2.gz FCOYZTLDVSONNK-SNVBAGLBSA-N 1 1 288.254 4.275 20 0 CIADMO Cc1cc(C[C@H](C)[NH2+][C@@H](CC2CCC2)c2ccccc2)n[nH]1 ZINC000344309391 225023727 /nfs/dbraw/zinc/02/37/27/225023727.db2.gz ZBKJSEKHFPIFAA-LIRRHRJNSA-N 1 1 297.446 4.170 20 0 CIADMO Cc1cc(C[C@@H](C)[NH2+][C@H](CC2CCC2)c2ccccc2)n[nH]1 ZINC000344309378 225024350 /nfs/dbraw/zinc/02/43/50/225024350.db2.gz ZBKJSEKHFPIFAA-AUUYWEPGSA-N 1 1 297.446 4.170 20 0 CIADMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)cc1 ZINC000366875186 225127350 /nfs/dbraw/zinc/12/73/50/225127350.db2.gz AVNGJVVCOKGSCQ-MRXNPFEDSA-N 1 1 282.387 4.198 20 0 CIADMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)cc1 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290.794 4.258 20 0 CIADMO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000164747384 329912339 /nfs/dbraw/zinc/91/23/39/329912339.db2.gz WROMQUVJBRHSFQ-MRXNPFEDSA-N 1 1 285.435 4.007 20 0 CIADMO C[C@H]([NH2+]Cc1cccc2ccccc21)c1cscn1 ZINC000162400366 330017293 /nfs/dbraw/zinc/01/72/93/330017293.db2.gz AIXOTXCUMHJKQK-LBPRGKRZSA-N 1 1 268.385 4.147 20 0 CIADMO Fc1ccc(/C=C\C[N@H+]2CCc3ccsc3C2)cc1F ZINC000572408332 330064812 /nfs/dbraw/zinc/06/48/12/330064812.db2.gz SADXJNYPNNFRMJ-UPHRSURJSA-N 1 1 291.366 4.098 20 0 CIADMO Clc1cccc([C@H]2CCC[N@H+]2CCc2ccncc2)c1 ZINC000079901167 330071701 /nfs/dbraw/zinc/07/17/01/330071701.db2.gz OFOFQELBGBVCLK-QGZVFWFLSA-N 1 1 286.806 4.115 20 0 CIADMO COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000421797148 330079558 /nfs/dbraw/zinc/07/95/58/330079558.db2.gz AQPNIDDJVCMLLZ-NWDGAFQWSA-N 1 1 290.794 4.155 20 0 CIADMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C2CCCC2)cc1 ZINC000572439639 330082796 /nfs/dbraw/zinc/08/27/96/330082796.db2.gz FJBIFMRPNBGSGI-UHFFFAOYSA-N 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283.337 4.398 20 0 CIADMO Fc1ccc(/C=C/C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000559959192 327273853 /nfs/dbraw/zinc/27/38/53/327273853.db2.gz PSGOGAPANJGHPW-AORQRIRUSA-N 1 1 287.300 4.113 20 0 CIADMO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCc2ccsc2C1 ZINC000560043984 327280044 /nfs/dbraw/zinc/28/00/44/327280044.db2.gz YPTUTZNTJFHKQJ-SNVBAGLBSA-N 1 1 279.355 4.146 20 0 CIADMO C[C@H](c1ccc(F)cc1F)[N@H+]1CCc2ccsc2C1 ZINC000560043984 327280045 /nfs/dbraw/zinc/28/00/45/327280045.db2.gz YPTUTZNTJFHKQJ-SNVBAGLBSA-N 1 1 279.355 4.146 20 0 CIADMO Cc1cnccc1C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000560104310 327284068 /nfs/dbraw/zinc/28/40/68/327284068.db2.gz IQIHHHBLFSTDKX-FZKQIMNGSA-N 1 1 284.378 4.112 20 0 CIADMO CCO[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C[C@@H]1C ZINC000449499033 327286726 /nfs/dbraw/zinc/28/67/26/327286726.db2.gz SLWSBMRYKUNOPN-KXBFYZLASA-N 1 1 283.415 4.087 20 0 CIADMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000560145038 327286951 /nfs/dbraw/zinc/28/69/51/327286951.db2.gz 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/nfs/dbraw/zinc/32/18/27/327321827.db2.gz NVUCOZAYBNMGSS-MRXNPFEDSA-N 1 1 257.402 4.128 20 0 CIADMO FC(F)(F)COc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000560545525 327322392 /nfs/dbraw/zinc/32/23/92/327322392.db2.gz WNLKIAIGGIKVSR-UHFFFAOYSA-N 1 1 299.336 4.004 20 0 CIADMO FC(F)(F)c1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000560544705 327322465 /nfs/dbraw/zinc/32/24/65/327322465.db2.gz STGUSLVXPLENRZ-UHFFFAOYSA-N 1 1 269.310 4.081 20 0 CIADMO CCCCOc1ccc(C[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000560554769 327324342 /nfs/dbraw/zinc/32/43/42/327324342.db2.gz ICEBPNMKHPHYCM-UHFFFAOYSA-N 1 1 298.430 4.201 20 0 CIADMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000560558421 327324783 /nfs/dbraw/zinc/32/47/83/327324783.db2.gz PZFYMEBSJGTSLW-HNAYVOBHSA-N 1 1 297.446 4.010 20 0 CIADMO Cc1ccc(C)c(C[N@H+](C)Cc2nc3ccccc3o2)c1 ZINC000097493202 327326933 /nfs/dbraw/zinc/32/69/33/327326933.db2.gz QVEDRCQVCZRLDL-UHFFFAOYSA-N 1 1 280.371 4.077 20 0 CIADMO Cc1ccc(C)c(C[N@@H+](C)Cc2nc3ccccc3o2)c1 ZINC000097493202 327326935 /nfs/dbraw/zinc/32/69/35/327326935.db2.gz QVEDRCQVCZRLDL-UHFFFAOYSA-N 1 1 280.371 4.077 20 0 CIADMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000560573859 327326942 /nfs/dbraw/zinc/32/69/42/327326942.db2.gz LYYVNEBEFCAOPD-HNNXBMFYSA-N 1 1 284.403 4.060 20 0 CIADMO CCCC[N@@H+](CC1=CCCOC1)[C@H]1CCC[C@H](C)C1 ZINC000560611972 327330402 /nfs/dbraw/zinc/33/04/02/327330402.db2.gz WAHBKRHFQUXZMM-RDJZCZTQSA-N 1 1 265.441 4.014 20 0 CIADMO CCCC[C@H](C)[N@@H+](CCCC)Cc1c[nH]c2nccnc12 ZINC000560611412 327331059 /nfs/dbraw/zinc/33/10/59/327331059.db2.gz JKJPAUREZXHQMC-AWEZNQCLSA-N 1 1 288.439 4.090 20 0 CIADMO CCCC[N@@H+](C[C@@H]1CCSC1)C1CCCCC1 ZINC000560628427 327332558 /nfs/dbraw/zinc/33/25/58/327332558.db2.gz DAPISOSNGBHQGF-AWEZNQCLSA-N 1 1 255.471 4.174 20 0 CIADMO CC(C)C[C@H](C)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000560729419 327339203 /nfs/dbraw/zinc/33/92/03/327339203.db2.gz CBTMANRZLVIJTM-VIFPVBQESA-N 1 1 280.359 4.028 20 0 CIADMO CC(C)C[C@H](C)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000560729419 327339204 /nfs/dbraw/zinc/33/92/04/327339204.db2.gz CBTMANRZLVIJTM-VIFPVBQESA-N 1 1 280.359 4.028 20 0 CIADMO CCC[N@@H+](Cc1nc2ccc(F)cc2s1)C(C)C ZINC000583391845 327339570 /nfs/dbraw/zinc/33/95/70/327339570.db2.gz JESPUCCYICHQIV-UHFFFAOYSA-N 1 1 266.385 4.056 20 0 CIADMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ncc(C)s1 ZINC000560840766 327347349 /nfs/dbraw/zinc/34/73/49/327347349.db2.gz GGFSOKBKZRKYII-MRXNPFEDSA-N 1 1 288.460 4.213 20 0 CIADMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000583410128 327349724 /nfs/dbraw/zinc/34/97/24/327349724.db2.gz WNKFXDVMYIZXTG-ZDUSSCGKSA-N 1 1 296.842 4.097 20 0 CIADMO Cc1ncc(C[N@H+](C)C[C@@H](C)CCc2ccccc2)s1 ZINC000561250204 327379113 /nfs/dbraw/zinc/37/91/13/327379113.db2.gz HHWQZGHFQFYBLL-AWEZNQCLSA-N 1 1 288.460 4.152 20 0 CIADMO COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000561250387 327379275 /nfs/dbraw/zinc/37/92/75/327379275.db2.gz LOSHENNCWFQOHI-BEFAXECRSA-N 1 1 296.414 4.031 20 0 CIADMO CCOc1ccc(C[N@@H+](CC)[C@H](C)C(C)C)cc1OCC ZINC000561385915 327391550 /nfs/dbraw/zinc/39/15/50/327391550.db2.gz AQXBFHNMMBHVSX-OAHLLOKOSA-N 1 1 293.451 4.350 20 0 CIADMO Cc1ccc2c(c1)CN(c1cc[nH+]c3ccsc31)CCO2 ZINC000561422551 327394218 /nfs/dbraw/zinc/39/42/18/327394218.db2.gz ZZQMZVCIZXYLNC-UHFFFAOYSA-N 1 1 296.395 4.004 20 0 CIADMO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)o1 ZINC000150879894 327394360 /nfs/dbraw/zinc/39/43/60/327394360.db2.gz TVHAKKZBFAPSCR-INIZCTEOSA-N 1 1 279.330 4.353 20 0 CIADMO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1ccoc1 ZINC000151024560 327411829 /nfs/dbraw/zinc/41/18/29/327411829.db2.gz AGKCREPEBWVYQO-VIFPVBQESA-N 1 1 298.155 4.032 20 0 CIADMO CC(C)CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)C(C)(C)C ZINC000561775663 327420785 /nfs/dbraw/zinc/42/07/85/327420785.db2.gz BVWGHQHWJBWVQI-QGZVFWFLSA-N 1 1 282.516 4.300 20 0 CIADMO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@H]1C)c1ccccc1F ZINC000562055866 327443690 /nfs/dbraw/zinc/44/36/90/327443690.db2.gz AHFDLDRNEHDMFM-PSVSLLHZSA-N 1 1 289.325 4.138 20 0 CIADMO Fc1ccc(CC[NH+]2Cc3ccccc3C2)c(Cl)c1 ZINC000564532754 327472512 /nfs/dbraw/zinc/47/25/12/327472512.db2.gz KQELVLNZNZNJJI-UHFFFAOYSA-N 1 1 275.754 4.037 20 0 CIADMO Cc1cc(C)c(C[NH2+]Cc2cc(Cl)ccc2Cl)cn1 ZINC000397488648 327483408 /nfs/dbraw/zinc/48/34/08/327483408.db2.gz KEQMBJVFSPZVBX-UHFFFAOYSA-N 1 1 295.213 4.295 20 0 CIADMO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000507518544 332811584 /nfs/dbraw/zinc/81/15/84/332811584.db2.gz DHYNZFBLBSOYCN-VXGBXAGGSA-N 1 1 290.357 4.334 20 0 CIADMO CC(C)COC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000054321963 328691432 /nfs/dbraw/zinc/69/14/32/328691432.db2.gz HPXLMOIKVRRLQP-UHFFFAOYSA-N 1 1 299.817 4.116 20 0 CIADMO Cc1cccc2c1cc[nH+]c2N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000519819529 328698235 /nfs/dbraw/zinc/69/82/35/328698235.db2.gz NDUBSBDLSBZSJR-SMDDNHRTSA-N 1 1 294.320 4.320 20 0 CIADMO Cc1cc[nH+]c(N[C@H]2CCSc3c(F)cccc32)c1 ZINC000532098812 328698926 /nfs/dbraw/zinc/69/89/26/328698926.db2.gz WNBLTJOUYJWPMK-ZDUSSCGKSA-N 1 1 274.364 4.178 20 0 CIADMO CCc1cc(C[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)on1 ZINC000532516906 328785812 /nfs/dbraw/zinc/78/58/12/328785812.db2.gz KZNKTTMHJKXREX-CYBMUJFWSA-N 1 1 298.386 4.451 20 0 CIADMO CCc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)nc1 ZINC000379259409 328797402 /nfs/dbraw/zinc/79/74/02/328797402.db2.gz GSLQNFFLZNBEKG-GFCCVEGCSA-N 1 1 274.795 4.148 20 0 CIADMO CCc1ccc[nH+]c1NCc1ccc(C(F)F)cc1 ZINC000526983680 328818948 /nfs/dbraw/zinc/81/89/48/328818948.db2.gz OAYMDUVMUUJDBF-UHFFFAOYSA-N 1 1 262.303 4.194 20 0 CIADMO FC(F)(F)c1ncc(CNc2cc(C3CC3)cc[nH+]2)s1 ZINC000353072992 328846563 /nfs/dbraw/zinc/84/65/63/328846563.db2.gz NHTQNOHMEOPRKW-UHFFFAOYSA-N 1 1 299.321 4.046 20 0 CIADMO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C(C)(F)F ZINC000389459075 328847751 /nfs/dbraw/zinc/84/77/51/328847751.db2.gz AWCFVMNQBGJRNP-FJJSSXBZSA-N 1 1 273.754 4.219 20 0 CIADMO Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1ccc(F)c(F)c1 ZINC000507824333 332826738 /nfs/dbraw/zinc/82/67/38/332826738.db2.gz IJXJIJULRXOHDJ-OAHLLOKOSA-N 1 1 295.279 4.020 20 0 CIADMO COCCCCc1ccc[nH+]c1NCc1ccc(C)s1 ZINC000359469685 328897358 /nfs/dbraw/zinc/89/73/58/328897358.db2.gz SCGGTDLRLQDUJH-UHFFFAOYSA-N 1 1 290.432 4.033 20 0 CIADMO CC[N@@H+](C[C@H]1CCOc2ccccc21)[C@H](C)c1cccnc1 ZINC000377907301 329034399 /nfs/dbraw/zinc/03/43/99/329034399.db2.gz IYUCMLKDCWFKGN-NVXWUHKLSA-N 1 1 296.414 4.031 20 0 CIADMO CCO[C@H](C)c1nc(C[N@@H+]2C[C@@H]3CCCCC[C@H]32)cs1 ZINC000378049127 329038175 /nfs/dbraw/zinc/03/81/75/329038175.db2.gz NDLZDDVBYFGKGU-VNHYZAJKSA-N 1 1 294.464 4.005 20 0 CIADMO CCO[C@H](C)c1nc(C[N@H+]2C[C@@H]3CCCCC[C@H]32)cs1 ZINC000378049127 329038176 /nfs/dbraw/zinc/03/81/76/329038176.db2.gz NDLZDDVBYFGKGU-VNHYZAJKSA-N 1 1 294.464 4.005 20 0 CIADMO CCOc1ccc(C2=CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000508371000 332837677 /nfs/dbraw/zinc/83/76/77/332837677.db2.gz QEJSMWVMUAYKDX-UHFFFAOYSA-N 1 1 294.398 4.082 20 0 CIADMO CC(C)CSCCC[N@H+]1CCC[C@@H]1c1nccs1 ZINC000378233472 329043625 /nfs/dbraw/zinc/04/36/25/329043625.db2.gz 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292.835 4.346 20 0 CIADMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)cc1 ZINC000366875185 225127691 /nfs/dbraw/zinc/12/76/91/225127691.db2.gz AVNGJVVCOKGSCQ-INIZCTEOSA-N 1 1 282.387 4.198 20 0 CIADMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)cc1 ZINC000366875185 225127693 /nfs/dbraw/zinc/12/76/93/225127693.db2.gz AVNGJVVCOKGSCQ-INIZCTEOSA-N 1 1 282.387 4.198 20 0 CIADMO COc1cccc2c(NCc3ccsc3)c(C)c[nH+]c12 ZINC000344944456 225211593 /nfs/dbraw/zinc/21/15/93/225211593.db2.gz SUIZFKMLFWTOLF-UHFFFAOYSA-N 1 1 284.384 4.225 20 0 CIADMO CC[C@H](c1ccc(Cl)cc1)[N@@H+](CC)Cc1cnn(C)c1 ZINC000171654434 335073376 /nfs/dbraw/zinc/07/33/76/335073376.db2.gz DYZSDKLXGZVLDV-MRXNPFEDSA-N 1 1 291.826 4.047 20 0 CIADMO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)s1 ZINC000346972904 226000170 /nfs/dbraw/zinc/00/01/70/226000170.db2.gz NVVGDSCJRQWNDG-CYBMUJFWSA-N 1 1 278.808 4.134 20 0 CIADMO Clc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)s1 ZINC000346972904 226000172 /nfs/dbraw/zinc/00/01/72/226000172.db2.gz NVVGDSCJRQWNDG-CYBMUJFWSA-N 1 1 278.808 4.134 20 0 CIADMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)s1 ZINC000347261530 226103358 /nfs/dbraw/zinc/10/33/58/226103358.db2.gz BNEHMQFFKXKMOL-KRWDZBQOSA-N 1 1 286.444 4.405 20 0 CIADMO Cc1ncc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)s1 ZINC000347226627 226094174 /nfs/dbraw/zinc/09/41/74/226094174.db2.gz ADDRQTQKDMJYKM-MRXNPFEDSA-N 1 1 290.407 4.318 20 0 CIADMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000347264346 226105677 /nfs/dbraw/zinc/10/56/77/226105677.db2.gz GYSMLDUBCXAECA-YPMHNXCESA-N 1 1 281.469 4.056 20 0 CIADMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cccc(C)n2)c(C)c1 ZINC000347363805 226135430 /nfs/dbraw/zinc/13/54/30/226135430.db2.gz ONQUQLVKVMCFBX-INIZCTEOSA-N 1 1 268.404 4.200 20 0 CIADMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)n1 ZINC000347370068 226136306 /nfs/dbraw/zinc/13/63/06/226136306.db2.gz UBCHGQDVDXXOPS-LJQANCHMSA-N 1 1 280.415 4.344 20 0 CIADMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000347366928 226137629 /nfs/dbraw/zinc/13/76/29/226137629.db2.gz PAXGNOFFAVQUJW-QGZVFWFLSA-N 1 1 286.806 4.381 20 0 CIADMO Cc1cccc(C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)n1 ZINC000347374756 226138088 /nfs/dbraw/zinc/13/80/88/226138088.db2.gz ATVCOTGSAAYCQK-INIZCTEOSA-N 1 1 280.415 4.191 20 0 CIADMO Cc1cccc(C[N@@H+](Cc2ccccc2F)CC(C)C)n1 ZINC000347354020 226149122 /nfs/dbraw/zinc/14/91/22/226149122.db2.gz VATMXCRFFKAMSC-UHFFFAOYSA-N 1 1 286.394 4.187 20 0 CIADMO Cc1[nH+]ccn1CCS[C@H](C)c1ccc(Cl)cc1 ZINC000347730465 226233629 /nfs/dbraw/zinc/23/36/29/226233629.db2.gz BRQYFJJTCPHTQZ-LLVKDONJSA-N 1 1 280.824 4.339 20 0 CIADMO c1cc2cc(C[N@H+]3CCc4ccsc4C3)ccc2o1 ZINC000347865213 226386589 /nfs/dbraw/zinc/38/65/89/226386589.db2.gz ZCGUNULFORJENF-UHFFFAOYSA-N 1 1 269.369 4.053 20 0 CIADMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc2occc2c1 ZINC000347784135 226375069 /nfs/dbraw/zinc/37/50/69/226375069.db2.gz QGNQKOMQMFUHPF-CYBMUJFWSA-N 1 1 281.355 4.331 20 0 CIADMO c1csc([C@@H]2C[N@H+](Cc3ccc4occc4c3)CCO2)c1 ZINC000347845263 226378891 /nfs/dbraw/zinc/37/88/91/226378891.db2.gz LVZDKUSRRBUMHD-INIZCTEOSA-N 1 1 299.395 4.068 20 0 CIADMO c1csc([C@@H]2C[N@@H+](Cc3ccc4occc4c3)CCO2)c1 ZINC000347845263 226378893 /nfs/dbraw/zinc/37/88/93/226378893.db2.gz LVZDKUSRRBUMHD-INIZCTEOSA-N 1 1 299.395 4.068 20 0 CIADMO CCC[N@@H+](Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000171678490 335074113 /nfs/dbraw/zinc/07/41/13/335074113.db2.gz ICZPZHXAZMIRPE-UHFFFAOYSA-N 1 1 278.446 4.246 20 0 CIADMO c1nc(C2CCC2)sc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000354526209 227023943 /nfs/dbraw/zinc/02/39/43/227023943.db2.gz NDMITJIKZLAILS-ZDUSSCGKSA-N 1 1 276.449 4.033 20 0 CIADMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccc(CO)cc2)o1 ZINC000352545933 227051465 /nfs/dbraw/zinc/05/14/65/227051465.db2.gz NMGUOUURDOXHHV-RDTXWAMCSA-N 1 1 299.414 4.054 20 0 CIADMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccc(CO)cc2)o1 ZINC000352545931 227052142 /nfs/dbraw/zinc/05/21/42/227052142.db2.gz NMGUOUURDOXHHV-KDOFPFPSSA-N 1 1 299.414 4.054 20 0 CIADMO C[C@H](c1ccccn1)[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000354680620 227069427 /nfs/dbraw/zinc/06/94/27/227069427.db2.gz UBAFYGBPNUVTGU-DLBZAZTESA-N 1 1 298.430 4.070 20 0 CIADMO Cc1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000575220679 335083228 /nfs/dbraw/zinc/08/32/28/335083228.db2.gz SBILOPFFQBDCQV-NSHDSACASA-N 1 1 273.754 4.126 20 0 CIADMO Cc1nc(C)c(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)s1 ZINC000352662188 227151116 /nfs/dbraw/zinc/15/11/16/227151116.db2.gz XHHGGTUEGVMTLZ-AWEZNQCLSA-N 1 1 292.835 4.360 20 0 CIADMO Cc1nc(C)c(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)s1 ZINC000352662188 227151121 /nfs/dbraw/zinc/15/11/21/227151121.db2.gz XHHGGTUEGVMTLZ-AWEZNQCLSA-N 1 1 292.835 4.360 20 0 CIADMO Cc1cccc(C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@H]2C)n1 ZINC000354837732 227153501 /nfs/dbraw/zinc/15/35/01/227153501.db2.gz QXJHAAXPSJTEKX-ZIAGYGMSSA-N 1 1 284.378 4.037 20 0 CIADMO Cc1nc(C[N@@H+](C)CCc2ccc(Cl)cc2)c(C)s1 ZINC000352762615 227199907 /nfs/dbraw/zinc/19/99/07/227199907.db2.gz HVLFBHIRACPWHY-UHFFFAOYSA-N 1 1 294.851 4.088 20 0 CIADMO CCc1oc2ccccc2c1CN(C)c1cc(C)[nH+]c(C)n1 ZINC000352748523 227205340 /nfs/dbraw/zinc/20/53/40/227205340.db2.gz LKXITCVSRWGUJH-UHFFFAOYSA-N 1 1 295.386 4.038 20 0 CIADMO Cc1cccc(NCc2cscc2C(F)(F)F)[nH+]1 ZINC000352839179 227314963 /nfs/dbraw/zinc/31/49/63/227314963.db2.gz INBLLVBATWPPER-UHFFFAOYSA-N 1 1 272.295 4.082 20 0 CIADMO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000355038441 227335328 /nfs/dbraw/zinc/33/53/28/227335328.db2.gz MNGZJLGKPXEGFR-OLZOCXBDSA-N 1 1 260.406 4.172 20 0 CIADMO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356047313 228099007 /nfs/dbraw/zinc/09/90/07/228099007.db2.gz AAMDDVXEWOMWEC-JTQLQIEISA-N 1 1 299.292 4.197 20 0 CIADMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356047313 228099009 /nfs/dbraw/zinc/09/90/09/228099009.db2.gz AAMDDVXEWOMWEC-JTQLQIEISA-N 1 1 299.292 4.197 20 0 CIADMO FCCC[C@@H]1CCC[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353564325 228121693 /nfs/dbraw/zinc/12/16/93/228121693.db2.gz VNLJAGOACOFXKS-DZGCQCFKSA-N 1 1 262.372 4.289 20 0 CIADMO Cc1cc(Cl)cc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000353520530 228113995 /nfs/dbraw/zinc/11/39/95/228113995.db2.gz PGSSLGHQWVQZRK-UHFFFAOYSA-N 1 1 286.806 4.208 20 0 CIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@H](C)CC[C@@H]2C)s1 ZINC000353542193 228117108 /nfs/dbraw/zinc/11/71/08/228117108.db2.gz UVVVEGCBHBHORR-BDAKNGLRSA-N 1 1 292.370 4.091 20 0 CIADMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000353360478 228090530 /nfs/dbraw/zinc/09/05/30/228090530.db2.gz ZITQGNMCCXAQTC-JQWIXIFHSA-N 1 1 299.349 4.082 20 0 CIADMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000353360480 228090781 /nfs/dbraw/zinc/09/07/81/228090781.db2.gz ZITQGNMCCXAQTC-ZYHUDNBSSA-N 1 1 299.349 4.082 20 0 CIADMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000353360477 228091068 /nfs/dbraw/zinc/09/10/68/228091068.db2.gz ZITQGNMCCXAQTC-CMPLNLGQSA-N 1 1 299.349 4.082 20 0 CIADMO c1sc(C2CC2)nc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000353643256 228137517 /nfs/dbraw/zinc/13/75/17/228137517.db2.gz JSHAJPCQPDZWBV-MRXNPFEDSA-N 1 1 298.455 4.400 20 0 CIADMO Cc1ccc(CCC[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cn1 ZINC000353649597 228138618 /nfs/dbraw/zinc/13/86/18/228138618.db2.gz LZIYWRSAVSIDTJ-QAPCUYQASA-N 1 1 298.430 4.389 20 0 CIADMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cnccc2C)o1 ZINC000353659440 228141132 /nfs/dbraw/zinc/14/11/32/228141132.db2.gz RLCPFXWWXITRDB-CXAGYDPISA-N 1 1 284.403 4.265 20 0 CIADMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cnccc2C)o1 ZINC000353659443 228141159 /nfs/dbraw/zinc/14/11/59/228141159.db2.gz RLCPFXWWXITRDB-GUYCJALGSA-N 1 1 284.403 4.265 20 0 CIADMO Cc1nc(C)c(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)s1 ZINC000353698500 228146256 /nfs/dbraw/zinc/14/62/56/228146256.db2.gz MTZJLVKKAJUFIP-ZDUSSCGKSA-N 1 1 288.460 4.131 20 0 CIADMO Cc1cccc(C[N@H+](C)Cc2ccc(OCC(C)C)cc2)n1 ZINC000353754727 228150774 /nfs/dbraw/zinc/15/07/74/228150774.db2.gz ZQQLUEMMTZPYEQ-UHFFFAOYSA-N 1 1 298.430 4.057 20 0 CIADMO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2cccn2C)o1 ZINC000353803048 228154727 /nfs/dbraw/zinc/15/47/27/228154727.db2.gz JKNYPEMUDPIESO-MRXNPFEDSA-N 1 1 272.392 4.044 20 0 CIADMO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccn(C)c2)o1 ZINC000353833105 228157425 /nfs/dbraw/zinc/15/74/25/228157425.db2.gz YSAWATAIWSDGOR-INIZCTEOSA-N 1 1 272.392 4.044 20 0 CIADMO Cc1[nH+]ccn1CCCSCCCc1cccc(F)c1 ZINC000352028749 228176540 /nfs/dbraw/zinc/17/65/40/228176540.db2.gz VSVMSBGUNSEZIL-UHFFFAOYSA-N 1 1 292.423 4.087 20 0 CIADMO Cc1ccc[nH+]c1NCc1ccc(Sc2ccccn2)o1 ZINC000352151059 228188098 /nfs/dbraw/zinc/18/80/98/228188098.db2.gz OAHQMPUEVRVVRU-UHFFFAOYSA-N 1 1 297.383 4.141 20 0 CIADMO Cc1cc[nH+]c(NCc2ccc(Sc3ccccn3)o2)c1 ZINC000352170589 228191440 /nfs/dbraw/zinc/19/14/40/228191440.db2.gz DOSNBDNANMJSBL-UHFFFAOYSA-N 1 1 297.383 4.141 20 0 CIADMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1ccncc1 ZINC000352239949 228205244 /nfs/dbraw/zinc/20/52/44/228205244.db2.gz BCBJQRIEXNSYMF-QAPCUYQASA-N 1 1 296.414 4.063 20 0 CIADMO Cc1oncc1C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000352245179 228205867 /nfs/dbraw/zinc/20/58/67/228205867.db2.gz DOEWFRMZOGMPIM-UHFFFAOYSA-N 1 1 290.794 4.049 20 0 CIADMO Cc1oncc1C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000352245179 228205868 /nfs/dbraw/zinc/20/58/68/228205868.db2.gz DOEWFRMZOGMPIM-UHFFFAOYSA-N 1 1 290.794 4.049 20 0 CIADMO Cc1ccoc1C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000312453136 260028893 /nfs/dbraw/zinc/02/88/93/260028893.db2.gz DJAAOCWSTHGFQA-ZDUSSCGKSA-N 1 1 269.344 4.493 20 0 CIADMO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000036952780 260056390 /nfs/dbraw/zinc/05/63/90/260056390.db2.gz HSKWDCZATNSAIM-ZBEGNZNMSA-N 1 1 289.325 4.139 20 0 CIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1ccccn1 ZINC000036955703 260056810 /nfs/dbraw/zinc/05/68/10/260056810.db2.gz QTJNBTMYHDQKKZ-HNNXBMFYSA-N 1 1 281.403 4.163 20 0 CIADMO CCc1oc2ccccc2c1C[N@H+](C)Cc1cncs1 ZINC000179764543 260068396 /nfs/dbraw/zinc/06/83/96/260068396.db2.gz FFSYWTSGBLIDSW-UHFFFAOYSA-N 1 1 286.400 4.084 20 0 CIADMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1cncs1 ZINC000179764543 260068397 /nfs/dbraw/zinc/06/83/97/260068397.db2.gz FFSYWTSGBLIDSW-UHFFFAOYSA-N 1 1 286.400 4.084 20 0 CIADMO CCCn1nc(C)c(C[N@@H+](C)[C@H]2CCc3ccccc32)c1C ZINC000179906009 260079837 /nfs/dbraw/zinc/07/98/37/260079837.db2.gz JARZJIVZIFPHSX-IBGZPJMESA-N 1 1 297.446 4.029 20 0 CIADMO CCCO[C@H]1CCC[N@@H+](CCCc2cccc(F)c2)CC1 ZINC000182772391 260090042 /nfs/dbraw/zinc/09/00/42/260090042.db2.gz GZQDHYRAPPAGCI-SFHVURJKSA-N 1 1 293.426 4.039 20 0 CIADMO c1sc(C2CCCCC2)nc1C[NH+]1C2CCC1CC2 ZINC000521383889 260092178 /nfs/dbraw/zinc/09/21/78/260092178.db2.gz DTGWTOUVQGJOJM-UHFFFAOYSA-N 1 1 276.449 4.318 20 0 CIADMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1nccn1C ZINC000070443559 260157258 /nfs/dbraw/zinc/15/72/58/260157258.db2.gz OGESESHNHOKQJN-NXEZZACHSA-N 1 1 298.217 4.139 20 0 CIADMO COc1cccc([C@H](C)[NH2+]Cc2ccsc2Cl)c1 ZINC000312583966 260159755 /nfs/dbraw/zinc/15/97/55/260159755.db2.gz OFUJUOLLGWCZDF-JTQLQIEISA-N 1 1 281.808 4.261 20 0 CIADMO CC[C@H]([NH2+]Cc1ccc(OC(C)C)cc1)c1nccs1 ZINC000078004289 260167962 /nfs/dbraw/zinc/16/79/62/260167962.db2.gz BVUODNMTCVXTTF-HNNXBMFYSA-N 1 1 290.432 4.171 20 0 CIADMO Clc1sccc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000309593637 260177356 /nfs/dbraw/zinc/17/73/56/260177356.db2.gz TUIQLJYURCVKIN-UHFFFAOYSA-N 1 1 272.200 4.345 20 0 CIADMO CC[C@H]([NH2+][C@@H](C)c1nc(C)cs1)c1ccc(F)cc1 ZINC000080274440 260179877 /nfs/dbraw/zinc/17/98/77/260179877.db2.gz HQAZIGKIUOKBKV-FZMZJTMJSA-N 1 1 278.396 4.393 20 0 CIADMO CC[C@@H]([NH2+][C@@H](C)c1nc(C)cs1)c1ccc(F)cc1 ZINC000080274444 260179927 /nfs/dbraw/zinc/17/99/27/260179927.db2.gz HQAZIGKIUOKBKV-SMDDNHRTSA-N 1 1 278.396 4.393 20 0 CIADMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000525487504 260199121 /nfs/dbraw/zinc/19/91/21/260199121.db2.gz HSWWTTAMBUWNSU-ZNMIVQPWSA-N 1 1 284.403 4.381 20 0 CIADMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(F)cn1 ZINC000092195274 260268360 /nfs/dbraw/zinc/26/83/60/260268360.db2.gz XPEXZHWYBOOLHA-GHMZBOCLSA-N 1 1 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/nfs/dbraw/zinc/26/29/32/330262932.db2.gz OYZYMLXAAZYPDN-SFHVURJKSA-N 1 1 266.388 4.036 20 0 CIADMO Cc1cc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)ccn1 ZINC000527536674 330263555 /nfs/dbraw/zinc/26/35/55/330263555.db2.gz YEUJITBGNMVXHV-HNNXBMFYSA-N 1 1 266.388 4.116 20 0 CIADMO Cc1cc(C[N@@H+]2CCC(F)(F)C[C@H]2C)c2ccccc2n1 ZINC000528768210 330263961 /nfs/dbraw/zinc/26/39/61/330263961.db2.gz OGUBJJRVKVOPPV-CYBMUJFWSA-N 1 1 290.357 4.163 20 0 CIADMO Cc1ccccc1[C@H](C)[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527618669 330265768 /nfs/dbraw/zinc/26/57/68/330265768.db2.gz HYBZDYVMBIRWHO-HNNXBMFYSA-N 1 1 295.430 4.028 20 0 CIADMO CCc1nc([C@@H](C)[NH2+]Cc2ccc3cc[nH]c3c2)cs1 ZINC000527658164 330273331 /nfs/dbraw/zinc/27/33/31/330273331.db2.gz FMVMWLALWOHMBB-LLVKDONJSA-N 1 1 285.416 4.038 20 0 CIADMO Fc1cc(C2CC2)ccc1C[NH2+]Cc1ccncc1Cl ZINC000527709565 330275839 /nfs/dbraw/zinc/27/58/39/330275839.db2.gz GPOGFWHRHUGYLT-UHFFFAOYSA-N 1 1 290.769 4.041 20 0 CIADMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)o1 ZINC000527771454 330282021 /nfs/dbraw/zinc/28/20/21/330282021.db2.gz ITCGHKRCZGFUFL-ACWOFJMJSA-N 1 1 296.414 4.429 20 0 CIADMO CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000527863294 330285388 /nfs/dbraw/zinc/28/53/88/330285388.db2.gz DDEMVVFLYVKBCF-IYOUNJFTSA-N 1 1 297.446 4.131 20 0 CIADMO CCc1cc(C[NH2+][C@H](C)c2cccc(C(C)C)c2)on1 ZINC000527864868 330285501 /nfs/dbraw/zinc/28/55/01/330285501.db2.gz KXQWQAIOKQIVQA-CYBMUJFWSA-N 1 1 272.392 4.211 20 0 CIADMO CC[C@H]([NH2+]Cc1cscn1)c1cc(C)ccc1C ZINC000527820344 330286278 /nfs/dbraw/zinc/28/62/78/330286278.db2.gz KRGIIXZGWNQHFU-HNNXBMFYSA-N 1 1 260.406 4.001 20 0 CIADMO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ncccc1F ZINC000527826921 330286631 /nfs/dbraw/zinc/28/66/31/330286631.db2.gz XHAZKXQWZFKXTH-ZDUSSCGKSA-N 1 1 286.394 4.369 20 0 CIADMO CC[C@H](C)c1ccc([C@H](C)[NH2+]Cc2cc(C)no2)cc1 ZINC000527857473 330289018 /nfs/dbraw/zinc/28/90/18/330289018.db2.gz BWALMSISCYIXPZ-JSGCOSHPSA-N 1 1 272.392 4.347 20 0 CIADMO CC(C)c1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000527906407 330290239 /nfs/dbraw/zinc/29/02/39/330290239.db2.gz WVIJXIARNVKFLH-FMJMRLDVSA-N 1 1 286.463 4.086 20 0 CIADMO CC(C)c1cccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000527906407 330290240 /nfs/dbraw/zinc/29/02/40/330290240.db2.gz WVIJXIARNVKFLH-FMJMRLDVSA-N 1 1 286.463 4.086 20 0 CIADMO CC(C)c1cccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000527906407 330290241 /nfs/dbraw/zinc/29/02/41/330290241.db2.gz WVIJXIARNVKFLH-FMJMRLDVSA-N 1 1 286.463 4.086 20 0 CIADMO CC(C)c1cccc([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000527872499 330290847 /nfs/dbraw/zinc/29/08/47/330290847.db2.gz MAJFYANYBAMCPG-CXAGYDPISA-N 1 1 283.419 4.261 20 0 CIADMO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)c1cc(C)ccc1C ZINC000527889808 330292202 /nfs/dbraw/zinc/29/22/02/330292202.db2.gz JFUDGLISSBHQEN-SWLSCSKDSA-N 1 1 289.448 4.265 20 0 CIADMO CC(C)(C)[C@@H]1C[C@@H](Nc2[nH+]ccc3ccccc32)CCO1 ZINC000527945653 330294219 /nfs/dbraw/zinc/29/42/19/330294219.db2.gz PTGZKOCPJGVQKG-HOCLYGCPSA-N 1 1 284.403 4.240 20 0 CIADMO CC(C)Cc1ccccc1C[NH2+][C@@H](C)c1nccs1 ZINC000527921712 330295735 /nfs/dbraw/zinc/29/57/35/330295735.db2.gz UIHJGDKXKACQTI-ZDUSSCGKSA-N 1 1 274.433 4.192 20 0 CIADMO Cc1noc(C)c1[C@@H](C)CNc1[nH+]ccc2ccccc21 ZINC000527936671 330298069 /nfs/dbraw/zinc/29/80/69/330298069.db2.gz ABQVFEDGJNVYCP-NSHDSACASA-N 1 1 281.359 4.055 20 0 CIADMO CC(C)(CNc1[nH+]ccc2ccccc21)C(F)(F)F ZINC000528001113 330300024 /nfs/dbraw/zinc/30/00/24/330300024.db2.gz LJHSJUDNQGPDNO-UHFFFAOYSA-N 1 1 268.282 4.235 20 0 CIADMO C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1csc(Cl)c1 ZINC000528002985 330300294 /nfs/dbraw/zinc/30/02/94/330300294.db2.gz RJWFUSZWNHLJQJ-BXUZGUMPSA-N 1 1 298.883 4.069 20 0 CIADMO C[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1csc(Cl)c1 ZINC000528002985 330300295 /nfs/dbraw/zinc/30/02/95/330300295.db2.gz RJWFUSZWNHLJQJ-BXUZGUMPSA-N 1 1 298.883 4.069 20 0 CIADMO CC[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(OC)cc1 ZINC000528035494 330302434 /nfs/dbraw/zinc/30/24/34/330302434.db2.gz HSCINOODDHOSMM-BLLLJJGKSA-N 1 1 288.366 4.031 20 0 CIADMO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(Cl)c(F)c1 ZINC000528036232 330302634 /nfs/dbraw/zinc/30/26/34/330302634.db2.gz PWHQYBIDAPNTRG-UWVGGRQHSA-N 1 1 296.748 4.425 20 0 CIADMO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncccc2F)cc1 ZINC000528036115 330302703 /nfs/dbraw/zinc/30/27/03/330302703.db2.gz NYVKTUYZYKLJMH-OLZOCXBDSA-N 1 1 272.367 4.195 20 0 CIADMO CC[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(F)c1 ZINC000528036648 330302932 /nfs/dbraw/zinc/30/29/32/330302932.db2.gz WORQWZZLBJNKPB-NHYWBVRUSA-N 1 1 276.330 4.162 20 0 CIADMO C[C@H]([NH2+][C@H]1C[C@H](C)c2ccccc21)c1ncccc1F ZINC000528037510 330303146 /nfs/dbraw/zinc/30/31/46/330303146.db2.gz JQTZIZYTAQSNCZ-MKBNYLNASA-N 1 1 270.351 4.120 20 0 CIADMO COC[C@H]([NH2+][C@H](C)c1ccccc1F)c1ccc(F)cc1 ZINC000536875834 330309805 /nfs/dbraw/zinc/30/98/05/330309805.db2.gz KOFLRYAWJBPACD-PXAZEXFGSA-N 1 1 291.341 4.003 20 0 CIADMO CC1(C)CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000532943775 330322600 /nfs/dbraw/zinc/32/26/00/330322600.db2.gz NGTIFWAZSQHPFK-UHFFFAOYSA-N 1 1 293.361 4.053 20 0 CIADMO CCCO[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000532960784 330323011 /nfs/dbraw/zinc/32/30/11/330323011.db2.gz FLYWLCDNWWDWEO-IEBWSBKVSA-N 1 1 287.447 4.345 20 0 CIADMO C[C@H]1c2ccccc2CC[N@H+]1Cc1nc2ccccc2s1 ZINC000533013504 330324195 /nfs/dbraw/zinc/32/41/95/330324195.db2.gz FLKVSBMIZWDAFJ-ZDUSSCGKSA-N 1 1 294.423 4.416 20 0 CIADMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000533013504 330324196 /nfs/dbraw/zinc/32/41/96/330324196.db2.gz FLKVSBMIZWDAFJ-ZDUSSCGKSA-N 1 1 294.423 4.416 20 0 CIADMO CC[C@@H]([NH2+]Cc1ccc(SC)cc1)c1nccs1 ZINC000078003994 330324270 /nfs/dbraw/zinc/32/42/70/330324270.db2.gz IXZQAVKIINRLEW-CYBMUJFWSA-N 1 1 278.446 4.106 20 0 CIADMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1)c1nccs1 ZINC000078004175 330324333 /nfs/dbraw/zinc/32/43/33/330324333.db2.gz AJQOWVKKXLRCET-LBPRGKRZSA-N 1 1 266.797 4.037 20 0 CIADMO Cc1cc(C)c([C@H](C)[N@@H+](C)CCC2CCOCC2)c(C)c1 ZINC000533023459 330324663 /nfs/dbraw/zinc/32/46/63/330324663.db2.gz YOKSKEJTUYULGB-KRWDZBQOSA-N 1 1 289.463 4.421 20 0 CIADMO CCc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000533054486 330325342 /nfs/dbraw/zinc/32/53/42/330325342.db2.gz BHEWIWWWFURLGE-AWEZNQCLSA-N 1 1 269.388 4.148 20 0 CIADMO Cc1ccc(C[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)nc1 ZINC000542810504 330325595 /nfs/dbraw/zinc/32/55/95/330325595.db2.gz AMEMQAZNNSJWMW-UHFFFAOYSA-N 1 1 292.426 4.296 20 0 CIADMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(C)s1 ZINC000533043228 330326047 /nfs/dbraw/zinc/32/60/47/330326047.db2.gz NZHGSJXLLWEUKS-QGZVFWFLSA-N 1 1 286.444 4.051 20 0 CIADMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(C)s1 ZINC000533043220 330326140 /nfs/dbraw/zinc/32/61/40/330326140.db2.gz NZHGSJXLLWEUKS-KRWDZBQOSA-N 1 1 286.444 4.051 20 0 CIADMO Cc1nc(C[N@H+](C(C)C)C2CCCCC2)nc2ccccc12 ZINC000533048662 330326280 /nfs/dbraw/zinc/32/62/80/330326280.db2.gz WLFKRQKMTUKNML-UHFFFAOYSA-N 1 1 297.446 4.481 20 0 CIADMO CSCC[C@H](C)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000533070664 330326755 /nfs/dbraw/zinc/32/67/55/330326755.db2.gz AHXQDOPSWLFRQL-AWEZNQCLSA-N 1 1 281.465 4.047 20 0 CIADMO CC(C)[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1 ZINC000533073821 330327153 /nfs/dbraw/zinc/32/71/53/330327153.db2.gz COIVWKIVUBALFG-UHFFFAOYSA-N 1 1 289.463 4.035 20 0 CIADMO c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000533080144 330329403 /nfs/dbraw/zinc/32/94/03/330329403.db2.gz GHTXESHHNINFEA-IEBWSBKVSA-N 1 1 295.426 4.088 20 0 CIADMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccccc1)CCC2 ZINC000533078484 330330661 /nfs/dbraw/zinc/33/06/61/330330661.db2.gz KMTQXAPSCOBUQN-OAHLLOKOSA-N 1 1 286.444 4.215 20 0 CIADMO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccn2)c(Cl)c1 ZINC000424264677 330332765 /nfs/dbraw/zinc/33/27/65/330332765.db2.gz UMZMAXSJHOULDI-NWDGAFQWSA-N 1 1 290.794 4.155 20 0 CIADMO c1cc(C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)no1 ZINC000533099598 330334656 /nfs/dbraw/zinc/33/46/56/330334656.db2.gz OQLRUWALDCUCHA-SFHVURJKSA-N 1 1 284.403 4.052 20 0 CIADMO COc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424316423 330339510 /nfs/dbraw/zinc/33/95/10/330339510.db2.gz FQWBEUUAMDHPLE-SGIREYDYSA-N 1 1 291.391 4.045 20 0 CIADMO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1ccccc1F ZINC000533241863 330354571 /nfs/dbraw/zinc/35/45/71/330354571.db2.gz FJVGPFOYOQWPIJ-LBPRGKRZSA-N 1 1 261.315 4.158 20 0 CIADMO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1ccccc1F ZINC000533241863 330354572 /nfs/dbraw/zinc/35/45/72/330354572.db2.gz FJVGPFOYOQWPIJ-LBPRGKRZSA-N 1 1 261.315 4.158 20 0 CIADMO C[C@H]([N@@H+](C)Cc1cccc2cccnc21)C(C)(C)C ZINC000533249547 330355286 /nfs/dbraw/zinc/35/52/86/330355286.db2.gz APYYXMWECFXYQQ-ZDUSSCGKSA-N 1 1 256.393 4.101 20 0 CIADMO C[C@@H]([N@@H+](C)Cc1csc(-c2ccco2)n1)C(C)(C)C ZINC000533250469 330355323 /nfs/dbraw/zinc/35/53/23/330355323.db2.gz LZOZZBUYDZXPHZ-LLVKDONJSA-N 1 1 278.421 4.270 20 0 CIADMO C[C@@H]([N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1)C(C)(C)C ZINC000533250576 330355342 /nfs/dbraw/zinc/35/53/42/330355342.db2.gz YFXNAFVLSUUXLN-GFCCVEGCSA-N 1 1 290.382 4.347 20 0 CIADMO Cc1ccncc1C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000533327208 330357503 /nfs/dbraw/zinc/35/75/03/330357503.db2.gz WDGLCRDSIALBNH-ZDUSSCGKSA-N 1 1 274.795 4.236 20 0 CIADMO Cc1nc(C[N@H+](C)C2CCC(C)(C)CC2)nc2ccccc12 ZINC000533345640 330358420 /nfs/dbraw/zinc/35/84/20/330358420.db2.gz GIBSMXQRJIYZKC-UHFFFAOYSA-N 1 1 297.446 4.339 20 0 CIADMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000533333853 330358764 /nfs/dbraw/zinc/35/87/64/330358764.db2.gz HAERHUXETMHLLL-IBGZPJMESA-N 1 1 298.430 4.149 20 0 CIADMO c1ccc2sc([C@H]3CCC[N@H+](CCC4CC4)C3)nc2c1 ZINC000533334477 330358793 /nfs/dbraw/zinc/35/87/93/330358793.db2.gz SLCHSWPCMAUZCV-AWEZNQCLSA-N 1 1 286.444 4.276 20 0 CIADMO CC[C@H](CSC)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000536885973 330363111 /nfs/dbraw/zinc/36/31/11/330363111.db2.gz PDZJYPGLIXUQRV-OAHLLOKOSA-N 1 1 281.465 4.047 20 0 CIADMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000536885967 330363116 /nfs/dbraw/zinc/36/31/16/330363116.db2.gz PDZJYPGLIXUQRV-HNNXBMFYSA-N 1 1 281.465 4.047 20 0 CIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000055481886 330365898 /nfs/dbraw/zinc/36/58/98/330365898.db2.gz OGOMPASTIRWXIO-CQSZACIVSA-N 1 1 291.435 4.154 20 0 CIADMO COCCCC[N@@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000117883081 330366325 /nfs/dbraw/zinc/36/63/25/330366325.db2.gz IUWJHBFQAABUJK-QGZVFWFLSA-N 1 1 263.425 4.051 20 0 CIADMO CCC[N@@H+](C[C@@H](C)OC)[C@H](C)c1cc2ccccc2o1 ZINC000542931160 330366704 /nfs/dbraw/zinc/36/67/04/330366704.db2.gz KACGGTNVXIBIAL-ZIAGYGMSSA-N 1 1 275.392 4.241 20 0 CIADMO C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000119180133 330370749 /nfs/dbraw/zinc/37/07/49/330370749.db2.gz NMIZSXHURQLMFX-VXGBXAGGSA-N 1 1 276.405 4.024 20 0 CIADMO CC(C)[N@@H+](Cc1cccc2ccccc21)C1CCOCC1 ZINC000119601236 330376961 /nfs/dbraw/zinc/37/69/61/330376961.db2.gz UQOOQAYHCNMUOH-UHFFFAOYSA-N 1 1 283.415 4.229 20 0 CIADMO Cc1csc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000088594643 330377926 /nfs/dbraw/zinc/37/79/26/330377926.db2.gz AEQXIUCJFIXJOC-INIZCTEOSA-N 1 1 286.444 4.221 20 0 CIADMO Cc1nc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)oc1C ZINC000057871311 330379139 /nfs/dbraw/zinc/37/91/39/330379139.db2.gz SAKCKMGSRDGAPU-MRXNPFEDSA-N 1 1 276.424 4.226 20 0 CIADMO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCC1CCOCC1 ZINC000120533916 330389217 /nfs/dbraw/zinc/38/92/17/330389217.db2.gz QPDQKVSJRHNCTL-GFCCVEGCSA-N 1 1 299.817 4.289 20 0 CIADMO C[N@@H+](CCc1cccs1)Cc1nc2ccccc2s1 ZINC000120941704 330393374 /nfs/dbraw/zinc/39/33/74/330393374.db2.gz KJVFTSFAOPSJNZ-UHFFFAOYSA-N 1 1 288.441 4.032 20 0 CIADMO CCSCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000537037384 330393418 /nfs/dbraw/zinc/39/34/18/330393418.db2.gz FWXAUUMPIHATEW-NSHDSACASA-N 1 1 257.830 4.086 20 0 CIADMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc(Cl)c1 ZINC000090529906 330393489 /nfs/dbraw/zinc/39/34/89/330393489.db2.gz CTRLRHNTMAAZOT-ZBEGNZNMSA-N 1 1 291.826 4.043 20 0 CIADMO CC(C)c1ccc(C[N@@H+](CC2=CCCOC2)C2CC2)cc1 ZINC000120972227 330393946 /nfs/dbraw/zinc/39/39/46/330393946.db2.gz WJIQGIJWVSCBMH-UHFFFAOYSA-N 1 1 285.431 4.121 20 0 CIADMO CCC(CC)[C@H]([NH2+]Cc1ccon1)c1cccs1 ZINC000537077653 330395550 /nfs/dbraw/zinc/39/55/50/330395550.db2.gz BAJAOHNFQVVMSA-AWEZNQCLSA-N 1 1 264.394 4.003 20 0 CIADMO CCS[C@H](C)c1noc(C[N@@H+](CC)CC(CC)CC)n1 ZINC000121096990 330396185 /nfs/dbraw/zinc/39/61/85/330396185.db2.gz OHFDYLKHMFQIGB-GFCCVEGCSA-N 1 1 299.484 4.142 20 0 CIADMO CCc1cnc(C[NH2+][C@H](c2ccccc2C)C(C)(C)C)o1 ZINC000537154981 330409061 /nfs/dbraw/zinc/40/90/61/330409061.db2.gz PLCZUKBMMSXCQG-QGZVFWFLSA-N 1 1 286.419 4.422 20 0 CIADMO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1cccc(F)c1F ZINC000537345546 330433443 /nfs/dbraw/zinc/43/34/43/330433443.db2.gz XJEANADLBASRPC-YGRLFVJLSA-N 1 1 291.366 4.462 20 0 CIADMO Cc1cc[nH+]c(N[C@@H]2CCCOc3c(C)cc(C)cc32)c1 ZINC000537411665 330435177 /nfs/dbraw/zinc/43/51/77/330435177.db2.gz ZSOWLDHFMAXKBE-MRXNPFEDSA-N 1 1 282.387 4.333 20 0 CIADMO CC1(C)CC[C@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000515226669 330472946 /nfs/dbraw/zinc/47/29/46/330472946.db2.gz MNVHZNNYDIEYPO-ZIAGYGMSSA-N 1 1 267.363 4.031 20 0 CIADMO Cc1ccoc1C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000426334698 330504515 /nfs/dbraw/zinc/50/45/15/330504515.db2.gz LUSFXRMKJMJMJQ-MRXNPFEDSA-N 1 1 279.330 4.353 20 0 CIADMO Cc1ccoc1C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000426334697 330504550 /nfs/dbraw/zinc/50/45/50/330504550.db2.gz LUSFXRMKJMJMJQ-INIZCTEOSA-N 1 1 279.330 4.353 20 0 CIADMO Cc1cnc(C[NH+]2CCC(Cc3ccc(C)c(C)c3)CC2)o1 ZINC000428714815 330530117 /nfs/dbraw/zinc/53/01/17/330530117.db2.gz WGLWZKYBAAIASY-UHFFFAOYSA-N 1 1 298.430 4.055 20 0 CIADMO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccs1 ZINC000430749435 330572825 /nfs/dbraw/zinc/57/28/25/330572825.db2.gz JRSDXAILOIGIJB-ZETCQYMHSA-N 1 1 289.297 4.155 20 0 CIADMO Cc1cccc(NCc2ccc(C(C)(F)F)cc2)[nH+]1 ZINC000432146187 330593855 /nfs/dbraw/zinc/59/38/55/330593855.db2.gz AJXDXTWMJLACEM-UHFFFAOYSA-N 1 1 262.303 4.114 20 0 CIADMO Cc1ccc(F)cc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000433193379 330619516 /nfs/dbraw/zinc/61/95/16/330619516.db2.gz JPLANUXNKCCUHF-UHFFFAOYSA-N 1 1 299.723 4.356 20 0 CIADMO CCCc1[nH+]ccn1Cc1nc(C2CCCCC2)cs1 ZINC000435793574 330663269 /nfs/dbraw/zinc/66/32/69/330663269.db2.gz BMVFKETVLGSXTF-UHFFFAOYSA-N 1 1 289.448 4.388 20 0 CIADMO FCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000437271346 330696637 /nfs/dbraw/zinc/69/66/37/330696637.db2.gz VOZFHJVRWMFZCB-UHFFFAOYSA-N 1 1 288.149 4.313 20 0 CIADMO Fc1ccc(C2([NH2+]Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000438178119 330718715 /nfs/dbraw/zinc/71/87/15/330718715.db2.gz OJLAIGGMXVUXMF-UHFFFAOYSA-N 1 1 293.744 4.397 20 0 CIADMO CC[C@H](F)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000440518912 330749877 /nfs/dbraw/zinc/74/98/77/330749877.db2.gz VWOINGUYHMXGKN-AAEUAGOBSA-N 1 1 278.396 4.209 20 0 CIADMO Cc1ccc[nH+]c1NCc1ccc(C(F)(F)F)cc1C ZINC000442997848 330792546 /nfs/dbraw/zinc/79/25/46/330792546.db2.gz ZSRCOUFLGQKPOK-UHFFFAOYSA-N 1 1 280.293 4.329 20 0 CIADMO CCOc1cc(Cl)ccc1CNc1cc(C)cc[nH+]1 ZINC000443891463 330807299 /nfs/dbraw/zinc/80/72/99/330807299.db2.gz HEVZLLKABXTONW-UHFFFAOYSA-N 1 1 276.767 4.054 20 0 CIADMO CC(C)(C)[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000444070208 330809747 /nfs/dbraw/zinc/80/97/47/330809747.db2.gz JBMYQUNZCAYBDJ-CQSZACIVSA-N 1 1 280.375 4.157 20 0 CIADMO CCc1ccc([C@H](COC)[NH2+]Cc2cccc3ccoc32)o1 ZINC000449158690 330902356 /nfs/dbraw/zinc/90/23/56/330902356.db2.gz ZTINODPFZGRVCQ-INIZCTEOSA-N 1 1 299.370 4.066 20 0 CIADMO FCC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000449450698 330926766 /nfs/dbraw/zinc/92/67/66/330926766.db2.gz BRSOKFCFDZVNLO-UHFFFAOYSA-N 1 1 293.279 4.026 20 0 CIADMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)s2)c2nccn21 ZINC000449571155 330937967 /nfs/dbraw/zinc/93/79/67/330937967.db2.gz KUXSKOJASZDVEI-DGCLKSJQSA-N 1 1 289.448 4.038 20 0 CIADMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)s2)c2nccn21 ZINC000449571157 330938001 /nfs/dbraw/zinc/93/80/01/330938001.db2.gz KUXSKOJASZDVEI-YPMHNXCESA-N 1 1 289.448 4.038 20 0 CIADMO C[C@H]1C[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CCO1 ZINC000450422921 330978264 /nfs/dbraw/zinc/97/82/64/330978264.db2.gz WGNULPWMKNBSOW-VHSXEESVSA-N 1 1 294.757 4.007 20 0 CIADMO CCC[C@H]([NH2+]Cc1cccc(C)n1)c1ccc(F)cc1F ZINC000450674907 330992741 /nfs/dbraw/zinc/99/27/41/330992741.db2.gz CLKRFLAKOIUAGP-KRWDZBQOSA-N 1 1 290.357 4.299 20 0 CIADMO CCC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccc(F)cc1F ZINC000450674908 330992807 /nfs/dbraw/zinc/99/28/07/330992807.db2.gz CLKRFLAKOIUAGP-QGZVFWFLSA-N 1 1 290.357 4.299 20 0 CIADMO CCO[C@H]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)C[C@H]1C ZINC000450747468 330997587 /nfs/dbraw/zinc/99/75/87/330997587.db2.gz UFUKPABDMPJHDQ-QAPCUYQASA-N 1 1 298.430 4.103 20 0 CIADMO CCO[C@H]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)C[C@@H]1C ZINC000450747469 330997595 /nfs/dbraw/zinc/99/75/95/330997595.db2.gz UFUKPABDMPJHDQ-YJBOKZPZSA-N 1 1 298.430 4.103 20 0 CIADMO CC[N@@H+](Cc1nnc(C(C)C)s1)[C@H]1CCCC[C@H]1C ZINC000450813329 331000830 /nfs/dbraw/zinc/00/08/30/331000830.db2.gz VUQUTWWJKPKIPB-OLZOCXBDSA-N 1 1 281.469 4.062 20 0 CIADMO CC[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCCO ZINC000450826033 331001284 /nfs/dbraw/zinc/00/12/84/331001284.db2.gz XDJWTYHARRKKOZ-AWEZNQCLSA-N 1 1 290.234 4.149 20 0 CIADMO FC(F)(F)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450854709 331003047 /nfs/dbraw/zinc/00/30/47/331003047.db2.gz FBXYAXGSIZRLKT-QWRGUYRKSA-N 1 1 285.300 4.086 20 0 CIADMO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000450867655 331003736 /nfs/dbraw/zinc/00/37/36/331003736.db2.gz ZOXYUJAEEPUUMF-LBPRGKRZSA-N 1 1 299.336 4.002 20 0 CIADMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1CCC(=O)CC1 ZINC000450875818 331004309 /nfs/dbraw/zinc/00/43/09/331004309.db2.gz FNIZKOQWCGBOEM-SFHVURJKSA-N 1 1 291.410 4.214 20 0 CIADMO CC1(C)CC[N@@H+](C[C@H]2CCCCC2(F)F)CCS1 ZINC000450882998 331004646 /nfs/dbraw/zinc/00/46/46/331004646.db2.gz VWSJJAPRCRHFQG-GFCCVEGCSA-N 1 1 277.424 4.029 20 0 CIADMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1OC1CC1 ZINC000450890942 331005126 /nfs/dbraw/zinc/00/51/26/331005126.db2.gz XSEMYSCRIZGYOW-FZMZJTMJSA-N 1 1 299.336 4.001 20 0 CIADMO Cc1cc[nH+]c(N2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000450912115 331006676 /nfs/dbraw/zinc/00/66/76/331006676.db2.gz LLWGSYIZMQBRCG-HNNXBMFYSA-N 1 1 274.314 4.010 20 0 CIADMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1CCC(=O)CC1 ZINC000450910775 331006730 /nfs/dbraw/zinc/00/67/30/331006730.db2.gz YBLKYNRGTPALJW-CRAIPNDOSA-N 1 1 285.431 4.014 20 0 CIADMO Cc1cccc(N2CCC[C@H]2c2ccc(F)cc2F)[nH+]1 ZINC000450915074 331006958 /nfs/dbraw/zinc/00/69/58/331006958.db2.gz RINHZTSWXKLBRT-HNNXBMFYSA-N 1 1 274.314 4.010 20 0 CIADMO C[C@H](c1csnn1)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000450933803 331007960 /nfs/dbraw/zinc/00/79/60/331007960.db2.gz JYMFPADDTCYOLT-DMRZNYOFSA-N 1 1 299.443 4.010 20 0 CIADMO C[C@H](c1csnn1)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000450933803 331007961 /nfs/dbraw/zinc/00/79/61/331007961.db2.gz JYMFPADDTCYOLT-DMRZNYOFSA-N 1 1 299.443 4.010 20 0 CIADMO Cn1cc([C@@H]2CCCC[N@H+]2CC/C=C\c2ccccc2)cn1 ZINC000450933348 331007966 /nfs/dbraw/zinc/00/79/66/331007966.db2.gz QEJSUEPWTFXMLT-DESYSQHQSA-N 1 1 295.430 4.051 20 0 CIADMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C(F)F)cc3)c2C[C@@H]1C ZINC000450993630 331010912 /nfs/dbraw/zinc/01/09/12/331010912.db2.gz ARHLWGYTZWSJLQ-NEPJUHHUSA-N 1 1 290.357 4.240 20 0 CIADMO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451004784 331011486 /nfs/dbraw/zinc/01/14/86/331011486.db2.gz NVSKKUSWQKNRNF-SJLPKXTDSA-N 1 1 280.415 4.331 20 0 CIADMO C[C@@H](C[N@H+]1CCC[C@H](c2ccncc2)C1)c1ccccc1 ZINC000451006787 331011502 /nfs/dbraw/zinc/01/15/02/331011502.db2.gz RVZBCLNYDIZHPL-LPHOPBHVSA-N 1 1 280.415 4.065 20 0 CIADMO C[C@H](C[N@H+]1CCC[C@@H](c2ccncc2)C1)c1ccccc1 ZINC000451006789 331011554 /nfs/dbraw/zinc/01/15/54/331011554.db2.gz RVZBCLNYDIZHPL-VQIMIIECSA-N 1 1 280.415 4.065 20 0 CIADMO Cc1ccccc1[C@@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451021124 331012103 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C[C@@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)CC1(C)C ZINC000546125413 334015958 /nfs/dbraw/zinc/01/59/58/334015958.db2.gz IPFAPJJIZNJCOY-GFCCVEGCSA-N 1 1 290.432 4.271 20 0 CIADMO CCC[N@@H+](CC)Cc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000546262169 334023794 /nfs/dbraw/zinc/02/37/94/334023794.db2.gz IJICJCUQBVLWOO-UHFFFAOYSA-N 1 1 287.407 4.092 20 0 CIADMO Fc1ccc(/C=C/C[N@@H+](CC2CC2)C2CCC2)cc1F ZINC000564306746 334044021 /nfs/dbraw/zinc/04/40/21/334044021.db2.gz KLPJKWDCOIIHEI-NSCUHMNNSA-N 1 1 277.358 4.243 20 0 CIADMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@H](C)C(C)(C)C)on1 ZINC000546690195 334046105 /nfs/dbraw/zinc/04/61/05/334046105.db2.gz CRDQSRSOWBRQET-OAHLLOKOSA-N 1 1 286.419 4.420 20 0 CIADMO CCCCC[N@H+](Cc1ncc(C)o1)Cc1ccc(F)cc1 ZINC000075593712 334046473 /nfs/dbraw/zinc/04/64/73/334046473.db2.gz IGLSRQXYHWNLCD-UHFFFAOYSA-N 1 1 290.382 4.315 20 0 CIADMO CCCCC[N@@H+](Cc1ncc(C)o1)Cc1ccc(F)cc1 ZINC000075593712 334046474 /nfs/dbraw/zinc/04/64/74/334046474.db2.gz IGLSRQXYHWNLCD-UHFFFAOYSA-N 1 1 290.382 4.315 20 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C[C@@H](CCC(F)(F)F)Nc1cc(C2CC2)cc[nH+]1 ZINC000353623212 533521087 /nfs/dbraw/zinc/52/10/87/533521087.db2.gz OHZKFUCTUWSICS-VIFPVBQESA-N 1 1 258.287 4.102 20 0 CIADMO CSC1(C[N@H+]2CCC[C@@H]2c2cccs2)CCC1 ZINC000356080536 533481842 /nfs/dbraw/zinc/48/18/42/533481842.db2.gz DBRDFPNGBKMQHI-GFCCVEGCSA-N 1 1 267.463 4.171 20 0 CIADMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c(C)s1 ZINC000347701336 533601570 /nfs/dbraw/zinc/60/15/70/533601570.db2.gz CVYAYDTYKNXNOK-MRXNPFEDSA-N 1 1 286.444 4.140 20 0 CIADMO C[C@@H](CC[N@@H+](C)[C@@H](C)c1ccccn1)OCc1ccccc1 ZINC000354680624 533572229 /nfs/dbraw/zinc/57/22/29/533572229.db2.gz UBAFYGBPNUVTGU-IRXDYDNUSA-N 1 1 298.430 4.070 20 0 CIADMO CC1(C)CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341875596 130103132 /nfs/dbraw/zinc/10/31/32/130103132.db2.gz LVHSGZAJLOGEKQ-UHFFFAOYSA-N 1 1 286.341 4.113 20 0 CIADMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341890524 130115061 /nfs/dbraw/zinc/11/50/61/130115061.db2.gz AHKXWAHJMMTQLI-RYUDHWBXSA-N 1 1 286.341 4.111 20 0 CIADMO c1sc(C[N@@H+]2CCC=C(c3ccccc3)C2)nc1C1CC1 ZINC000341983134 130168131 /nfs/dbraw/zinc/16/81/31/130168131.db2.gz DYRZRAVMBYURLS-UHFFFAOYSA-N 1 1 296.439 4.310 20 0 CIADMO c1sc(C[N@H+]2CCC=C(c3ccccc3)C2)nc1C1CC1 ZINC000341983134 130168133 /nfs/dbraw/zinc/16/81/33/130168133.db2.gz DYRZRAVMBYURLS-UHFFFAOYSA-N 1 1 296.439 4.310 20 0 CIADMO c1sc2ccccc2c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342052226 130223210 /nfs/dbraw/zinc/22/32/10/130223210.db2.gz VAIDRLPEJJKXRM-HZPDHXFCSA-N 1 1 287.428 4.045 20 0 CIADMO COCCCCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000171497840 335067047 /nfs/dbraw/zinc/06/70/47/335067047.db2.gz LCPGLKZJBWITEE-INIZCTEOSA-N 1 1 281.827 4.294 20 0 CIADMO CCc1cnc(C[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)o1 ZINC000575113915 335067084 /nfs/dbraw/zinc/06/70/84/335067084.db2.gz CRNUDIQBCOKXBT-INIZCTEOSA-N 1 1 284.403 4.005 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1nc2ccccc2s1 ZINC000020121472 171000085 /nfs/dbraw/zinc/00/00/85/171000085.db2.gz AIWUVWAZUYMFMC-NWDGAFQWSA-N 1 1 283.400 4.103 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2s1)c1ccncc1 ZINC000020121469 171000281 /nfs/dbraw/zinc/00/02/81/171000281.db2.gz AIWUVWAZUYMFMC-NEPJUHHUSA-N 1 1 283.400 4.103 20 0 CIADMO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1nc2ccccc2s1 ZINC000020123612 171004681 /nfs/dbraw/zinc/00/46/81/171004681.db2.gz RNFDCTRZFIAEIH-VXGBXAGGSA-N 1 1 283.400 4.103 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nc2ccccc2s1 ZINC000020123613 171005173 /nfs/dbraw/zinc/00/51/73/171005173.db2.gz RNFDCTRZFIAEIH-NWDGAFQWSA-N 1 1 283.400 4.103 20 0 CIADMO Cc1ccccc1[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC000020126108 171009796 /nfs/dbraw/zinc/00/97/96/171009796.db2.gz KQSYAOXJIXVSJS-GFCCVEGCSA-N 1 1 261.315 4.124 20 0 CIADMO C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)c1cccnc1 ZINC000020127843 171014041 /nfs/dbraw/zinc/01/40/41/171014041.db2.gz JIPPGQHARDNMFP-SNVBAGLBSA-N 1 1 281.186 4.239 20 0 CIADMO c1coc([C@H]([NH2+]Cc2cccs2)c2ccccc2)c1 ZINC000020139345 171026062 /nfs/dbraw/zinc/02/60/62/171026062.db2.gz DQIDDVDPVYUFCP-MRXNPFEDSA-N 1 1 269.369 4.220 20 0 CIADMO C[C@@H]([NH2+]Cc1cccnc1)c1cc(Cl)ccc1Cl ZINC000020140899 171028058 /nfs/dbraw/zinc/02/80/58/171028058.db2.gz IGCKSJUDPIELEE-SNVBAGLBSA-N 1 1 281.186 4.239 20 0 CIADMO Cc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000022005461 171348650 /nfs/dbraw/zinc/34/86/50/171348650.db2.gz QFBFAIOZZKORIP-UHFFFAOYSA-N 1 1 263.384 4.284 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccccn1 ZINC000037218935 173036627 /nfs/dbraw/zinc/03/66/27/173036627.db2.gz ACHRKAAHYINFEK-WDEREUQCSA-N 1 1 278.758 4.286 20 0 CIADMO C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccco1 ZINC000037260418 173070938 /nfs/dbraw/zinc/07/09/38/173070938.db2.gz QMAKRXACEVFPMY-GWCFXTLKSA-N 1 1 277.364 4.306 20 0 CIADMO CCC[C@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000043687098 175094318 /nfs/dbraw/zinc/09/43/18/175094318.db2.gz RXEDTNXGHSESCX-VIFPVBQESA-N 1 1 276.243 4.131 20 0 CIADMO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000072185484 176335587 /nfs/dbraw/zinc/33/55/87/176335587.db2.gz LJRGIQJXIAZNAR-UHFFFAOYSA-N 1 1 296.345 4.113 20 0 CIADMO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000072185484 176335588 /nfs/dbraw/zinc/33/55/88/176335588.db2.gz LJRGIQJXIAZNAR-UHFFFAOYSA-N 1 1 296.345 4.113 20 0 CIADMO C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C1CCCC1 ZINC000179796709 260070158 /nfs/dbraw/zinc/07/01/58/260070158.db2.gz LGVGDZGACYACPQ-UHFFFAOYSA-N 1 1 284.378 4.262 20 0 CIADMO CCCCC[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000078775423 177385977 /nfs/dbraw/zinc/38/59/77/177385977.db2.gz DAXLDPRFISYHFW-HNNXBMFYSA-N 1 1 277.408 4.031 20 0 CIADMO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCc2occc2C1 ZINC000344283270 225015423 /nfs/dbraw/zinc/01/54/23/225015423.db2.gz POIYZGNDTRIHAG-LLVKDONJSA-N 1 1 277.314 4.067 20 0 CIADMO C[C@H](c1ccc(F)cc1F)[N@H+]1CCCc2occc2C1 ZINC000344283270 225015424 /nfs/dbraw/zinc/01/54/24/225015424.db2.gz POIYZGNDTRIHAG-LLVKDONJSA-N 1 1 277.314 4.067 20 0 CIADMO Cc1[nH+]ccn1CCCSC1CCC(C)(C)CC1 ZINC000344447747 225060034 /nfs/dbraw/zinc/06/00/34/225060034.db2.gz LFQQZDFJKJKRAI-UHFFFAOYSA-N 1 1 266.454 4.284 20 0 CIADMO Cc1[nH+]ccn1CCCS[C@@H](C)c1cc(F)ccc1F ZINC000344483372 225072370 /nfs/dbraw/zinc/07/23/70/225072370.db2.gz LGDNNACKTISVQE-NSHDSACASA-N 1 1 296.386 4.354 20 0 CIADMO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)o1 ZINC000345023094 225233577 /nfs/dbraw/zinc/23/35/77/225233577.db2.gz XWDAVROFEZAAKE-OAHLLOKOSA-N 1 1 289.350 4.119 20 0 CIADMO Cc1[nH+]ccn1CCCSCc1ccc(F)c(Cl)c1 ZINC000344799056 225171225 /nfs/dbraw/zinc/17/12/25/225171225.db2.gz YVILLFUSFRNYCH-UHFFFAOYSA-N 1 1 298.814 4.308 20 0 CIADMO Clc1cnc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000334781255 225320018 /nfs/dbraw/zinc/32/00/18/225320018.db2.gz MKPPKMJDUHGGTG-LLVKDONJSA-N 1 1 299.226 4.227 20 0 CIADMO Cc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000346641456 225866401 /nfs/dbraw/zinc/86/64/01/225866401.db2.gz LBSRMEQZUAWNSB-OAHLLOKOSA-N 1 1 260.425 4.038 20 0 CIADMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346978704 226003665 /nfs/dbraw/zinc/00/36/65/226003665.db2.gz UWWUIWPZAJGPTM-INIZCTEOSA-N 1 1 290.769 4.211 20 0 CIADMO Fc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1Cl ZINC000346978704 226003668 /nfs/dbraw/zinc/00/36/68/226003668.db2.gz UWWUIWPZAJGPTM-INIZCTEOSA-N 1 1 290.769 4.211 20 0 CIADMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCc2ccsc2)C1 ZINC000347160301 226063585 /nfs/dbraw/zinc/06/35/85/226063585.db2.gz GKRFQNPOSMKOBP-YOEHRIQHSA-N 1 1 286.444 4.159 20 0 CIADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000347217464 226089722 /nfs/dbraw/zinc/08/97/22/226089722.db2.gz ZYPCKYFVMZKQGT-MGPUTAFESA-N 1 1 292.426 4.153 20 0 CIADMO Cc1ncc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000347225216 226093188 /nfs/dbraw/zinc/09/31/88/226093188.db2.gz FPUAHWPVGMNSCP-SFHVURJKSA-N 1 1 298.455 4.494 20 0 CIADMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)s1 ZINC000347269305 226106947 /nfs/dbraw/zinc/10/69/47/226106947.db2.gz SAMBRYIOBIFLBW-MRXNPFEDSA-N 1 1 272.417 4.097 20 0 CIADMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)s1 ZINC000347278385 226109081 /nfs/dbraw/zinc/10/90/81/226109081.db2.gz OZTZAJZRVTVMDX-INIZCTEOSA-N 1 1 272.417 4.097 20 0 CIADMO Cc1cccc(C[N@H+](Cc2cccc(Cl)c2)C(C)C)n1 ZINC000347377519 226137879 /nfs/dbraw/zinc/13/78/79/226137879.db2.gz CUEVMNMFXGEQTP-UHFFFAOYSA-N 1 1 288.822 4.454 20 0 CIADMO Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCCO2)s1 ZINC000347409716 226164775 /nfs/dbraw/zinc/16/47/75/226164775.db2.gz DVKQLXQDKRWTPF-LSDHHAIUSA-N 1 1 279.449 4.153 20 0 CIADMO O=C1CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2)CC1 ZINC000347730334 226234017 /nfs/dbraw/zinc/23/40/17/226234017.db2.gz KGYRMYTUNRAYNM-UHFFFAOYSA-N 1 1 297.398 4.041 20 0 CIADMO Cc1ccc([C@@H]2CCCCC[N@H+]2CC2CCC(=O)CC2)o1 ZINC000347738878 226235287 /nfs/dbraw/zinc/23/52/87/226235287.db2.gz RSRCUPFPBSPMGJ-KRWDZBQOSA-N 1 1 289.419 4.264 20 0 CIADMO Cc1cc[nH+]c(NCc2ccc(-c3ccncc3)cc2)c1 ZINC000347739479 226235361 /nfs/dbraw/zinc/23/53/61/226235361.db2.gz NAYRQBMNHGTZIS-UHFFFAOYSA-N 1 1 275.355 4.064 20 0 CIADMO CCc1nnc(C[N@@H+]([C@@H](C)c2ccccc2)C2CCCC2)o1 ZINC000347701339 226239515 /nfs/dbraw/zinc/23/95/15/226239515.db2.gz CVZXEZOVRHMOJZ-AWEZNQCLSA-N 1 1 299.418 4.138 20 0 CIADMO CSCC[C@H](C)[N@@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000354668997 227063027 /nfs/dbraw/zinc/06/30/27/227063027.db2.gz IETMJPOFOMHPRQ-JKSUJKDBSA-N 1 1 295.492 4.055 20 0 CIADMO Cc1ccc(-c2ccc(C[N@@H+](C)Cc3ccncc3)o2)cc1 ZINC000350361823 227001561 /nfs/dbraw/zinc/00/15/61/227001561.db2.gz WVVOXFLXEOGNBE-UHFFFAOYSA-N 1 1 292.382 4.282 20 0 CIADMO Cc1ccc(-c2ccc(C[N@H+](C)Cc3ccncc3)o2)cc1 ZINC000350361823 227001564 /nfs/dbraw/zinc/00/15/64/227001564.db2.gz WVVOXFLXEOGNBE-UHFFFAOYSA-N 1 1 292.382 4.282 20 0 CIADMO Cc1ncc(C[N@@H+](C)Cc2cc(C)cc(Cl)c2)s1 ZINC000350519379 227028587 /nfs/dbraw/zinc/02/85/87/227028587.db2.gz YVIBKMGHKKIFHN-UHFFFAOYSA-N 1 1 280.824 4.045 20 0 CIADMO Cc1ncc(C[N@H+](C)Cc2cc(C)cc(Cl)c2)s1 ZINC000350519379 227028592 /nfs/dbraw/zinc/02/85/92/227028592.db2.gz YVIBKMGHKKIFHN-UHFFFAOYSA-N 1 1 280.824 4.045 20 0 CIADMO CCn1c2ccccc2nc1C[N@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000575193175 335078747 /nfs/dbraw/zinc/07/87/47/335078747.db2.gz ISTVCQIEIYRTEQ-GOSISDBHSA-N 1 1 297.446 4.067 20 0 CIADMO CC(C)c1noc(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)n1 ZINC000171830798 335081661 /nfs/dbraw/zinc/08/16/61/335081661.db2.gz UIAPCEMUWDPGLE-MRXNPFEDSA-N 1 1 287.407 4.022 20 0 CIADMO CC(C)c1noc(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)n1 ZINC000171830798 335081662 /nfs/dbraw/zinc/08/16/62/335081662.db2.gz UIAPCEMUWDPGLE-MRXNPFEDSA-N 1 1 287.407 4.022 20 0 CIADMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCCOC(C)(C)C)s1 ZINC000354903604 227219447 /nfs/dbraw/zinc/21/94/47/227219447.db2.gz YHCBLFDAIQZZFM-ZDUSSCGKSA-N 1 1 298.496 4.348 20 0 CIADMO Cc1nc(C)c(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000352662189 227151026 /nfs/dbraw/zinc/15/10/26/227151026.db2.gz XHHGGTUEGVMTLZ-CQSZACIVSA-N 1 1 292.835 4.360 20 0 CIADMO Cc1nc(C)c(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000352662189 227151029 /nfs/dbraw/zinc/15/10/29/227151029.db2.gz XHHGGTUEGVMTLZ-CQSZACIVSA-N 1 1 292.835 4.360 20 0 CIADMO CCOc1ccc(C[N@@H+](C)[C@H](CC)c2ccncc2)cc1 ZINC000354838665 227155228 /nfs/dbraw/zinc/15/52/28/227155228.db2.gz RVNIMDVPPLINDW-GOSISDBHSA-N 1 1 284.403 4.063 20 0 CIADMO CCn1cncc1C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000417919352 227171089 /nfs/dbraw/zinc/17/10/89/227171089.db2.gz FTPRLCCGMAUCAE-SNVBAGLBSA-N 1 1 298.217 4.061 20 0 CIADMO Cc1cccc(N[C@H](c2nccs2)c2ccccc2)[nH+]1 ZINC000354874481 227189911 /nfs/dbraw/zinc/18/99/11/227189911.db2.gz FWRWJZYUXNMWTR-HNNXBMFYSA-N 1 1 281.384 4.048 20 0 CIADMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000352722493 227190128 /nfs/dbraw/zinc/19/01/28/227190128.db2.gz DQCUYUUDDJROCI-NVXWUHKLSA-N 1 1 289.467 4.019 20 0 CIADMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn2ccsc2n1 ZINC000352791729 227228924 /nfs/dbraw/zinc/22/89/24/227228924.db2.gz IMEPNIUEOJLGFB-INIZCTEOSA-N 1 1 297.427 4.041 20 0 CIADMO Cc1nccn1CCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000352802910 227238404 /nfs/dbraw/zinc/23/84/04/227238404.db2.gz XAECITCVXBMNJA-VQIMIIECSA-N 1 1 297.446 4.055 20 0 CIADMO Cc1nccn1CCC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000352802909 227238524 /nfs/dbraw/zinc/23/85/24/227238524.db2.gz XAECITCVXBMNJA-QFBILLFUSA-N 1 1 297.446 4.055 20 0 CIADMO Cc1cccc(N[C@H]2CCCOc3c(Cl)cccc32)[nH+]1 ZINC000302021664 227761086 /nfs/dbraw/zinc/76/10/86/227761086.db2.gz OCYDJHVMPFOQEL-AWEZNQCLSA-N 1 1 288.778 4.369 20 0 CIADMO Cc1ccncc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000353448582 228104076 /nfs/dbraw/zinc/10/40/76/228104076.db2.gz NUNUOHPIKOAYJE-IBGZPJMESA-N 1 1 278.399 4.042 20 0 CIADMO Cc1ccc(CCC[N@H+]2CCC[C@H]2c2ccsc2)cn1 ZINC000353450315 228105028 /nfs/dbraw/zinc/10/50/28/228105028.db2.gz SYBCJVPJNMVVGU-KRWDZBQOSA-N 1 1 286.444 4.221 20 0 CIADMO C[C@@H]1CCCC[N@H+]1Cc1cscc1C(F)(F)F ZINC000356064255 228107035 /nfs/dbraw/zinc/10/70/35/228107035.db2.gz NDMMIMLMIJXKLY-SECBINFHSA-N 1 1 263.328 4.141 20 0 CIADMO C[C@H]1CCCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000353473645 228107793 /nfs/dbraw/zinc/10/77/93/228107793.db2.gz SVRKUXUOJIKEFA-ZDUSSCGKSA-N 1 1 272.367 4.138 20 0 CIADMO Cc1cc(Cl)cc(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000353514633 228113239 /nfs/dbraw/zinc/11/32/39/228113239.db2.gz CMWYBCGKCILBRP-UHFFFAOYSA-N 1 1 286.806 4.208 20 0 CIADMO Cc1noc([C@H]2CCCC[N@H+]2CC2CCC(C)(C)CC2)n1 ZINC000353542801 228117538 /nfs/dbraw/zinc/11/75/38/228117538.db2.gz LRMOVIWFLGKYLL-OAHLLOKOSA-N 1 1 291.439 4.121 20 0 CIADMO Cc1noc([C@@H]2CCCC[N@H+]2CC2CCC(C)(C)CC2)n1 ZINC000353542800 228118043 /nfs/dbraw/zinc/11/80/43/228118043.db2.gz LRMOVIWFLGKYLL-HNNXBMFYSA-N 1 1 291.439 4.121 20 0 CIADMO COc1ccc([C@H](C)Nc2cc(C3CC3)cc[nH+]2)cc1OC ZINC000353548805 228118569 /nfs/dbraw/zinc/11/85/69/228118569.db2.gz NHPFDEKCWMNMRC-LBPRGKRZSA-N 1 1 298.386 4.149 20 0 CIADMO c1cc(C2CC2)cc(NC2CCC3(CCOCC3)CC2)[nH+]1 ZINC000353551827 228118882 /nfs/dbraw/zinc/11/88/82/228118882.db2.gz WKCUSMDEAVYHKM-UHFFFAOYSA-N 1 1 286.419 4.110 20 0 CIADMO Cc1cccc(N2CCC(c3c[nH]c4ccccc43)CC2)[nH+]1 ZINC000114184126 228044733 /nfs/dbraw/zinc/04/47/33/228044733.db2.gz AIBRBTUOVFGJKF-UHFFFAOYSA-N 1 1 291.398 4.255 20 0 CIADMO Cc1cc(C)cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000353141878 228062972 /nfs/dbraw/zinc/06/29/72/228062972.db2.gz RNGHCPVCRPIJFX-MRXNPFEDSA-N 1 1 286.444 4.140 20 0 CIADMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cnccc2C)cc1 ZINC000353377310 228092421 /nfs/dbraw/zinc/09/24/21/228092421.db2.gz FNDPLDJDHQDYSG-GOSISDBHSA-N 1 1 266.388 4.036 20 0 CIADMO Cc1ccncc1C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000353380949 228093161 /nfs/dbraw/zinc/09/31/61/228093161.db2.gz MEZJHEISLKLLHC-CYBMUJFWSA-N 1 1 274.795 4.236 20 0 CIADMO C[C@H]([NH2+]Cc1ccc2sccc2c1)c1nccs1 ZINC000353571571 228123463 /nfs/dbraw/zinc/12/34/63/228123463.db2.gz VVPYQPDOORTMCN-JTQLQIEISA-N 1 1 274.414 4.209 20 0 CIADMO CSCc1cnc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)s1 ZINC000353585346 228126175 /nfs/dbraw/zinc/12/61/75/228126175.db2.gz RIINQVHDHWIVHU-AWEZNQCLSA-N 1 1 296.505 4.017 20 0 CIADMO CSCc1cnc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)s1 ZINC000353585346 228126177 /nfs/dbraw/zinc/12/61/77/228126177.db2.gz RIINQVHDHWIVHU-AWEZNQCLSA-N 1 1 296.505 4.017 20 0 CIADMO c1ccc2c(c1)CC[C@H]2Nc1cc(C2CC2)cc[nH+]1 ZINC000353620985 228133201 /nfs/dbraw/zinc/13/32/01/228133201.db2.gz KDZRHSOCLRJVAX-MRXNPFEDSA-N 1 1 250.345 4.058 20 0 CIADMO C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccccc1Cl ZINC000353632001 228136243 /nfs/dbraw/zinc/13/62/43/228136243.db2.gz REOYKMFEGNNXDM-NSHDSACASA-N 1 1 285.778 4.067 20 0 CIADMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccsc2)[C@@H](C)CO1 ZINC000353773851 228152625 /nfs/dbraw/zinc/15/26/25/228152625.db2.gz FJCFCWJKBRTCJX-WMLDXEAASA-N 1 1 287.428 4.019 20 0 CIADMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccsc2)[C@@H](C)CO1 ZINC000353773851 228152627 /nfs/dbraw/zinc/15/26/27/228152627.db2.gz FJCFCWJKBRTCJX-WMLDXEAASA-N 1 1 287.428 4.019 20 0 CIADMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccsc2)[C@@H](C)CO1 ZINC000353773852 228152647 /nfs/dbraw/zinc/15/26/47/228152647.db2.gz FJCFCWJKBRTCJX-YOEHRIQHSA-N 1 1 287.428 4.019 20 0 CIADMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)[C@@H](C)CO1 ZINC000353773852 228152649 /nfs/dbraw/zinc/15/26/49/228152649.db2.gz FJCFCWJKBRTCJX-YOEHRIQHSA-N 1 1 287.428 4.019 20 0 CIADMO COCCc1cc[nH+]c(N[C@@H]2CC[C@H](C)c3ccccc32)c1 ZINC000353847809 228158913 /nfs/dbraw/zinc/15/89/13/228158913.db2.gz UCQPGTKFZKHXLG-KBXCAEBGSA-N 1 1 296.414 4.321 20 0 CIADMO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(O)cc(F)c2)o1 ZINC000351988056 228171437 /nfs/dbraw/zinc/17/14/37/228171437.db2.gz CYJAPIOYLRHEJM-INIZCTEOSA-N 1 1 289.350 4.160 20 0 CIADMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cc(O)cc(F)c2)o1 ZINC000351988056 228171438 /nfs/dbraw/zinc/17/14/38/228171438.db2.gz CYJAPIOYLRHEJM-INIZCTEOSA-N 1 1 289.350 4.160 20 0 CIADMO FCCCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000352050380 228177177 /nfs/dbraw/zinc/17/71/77/228177177.db2.gz QBHICSLOGNDZRN-UHFFFAOYSA-N 1 1 253.361 4.164 20 0 CIADMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc3ccccc3o2)on1 ZINC000352079775 228180876 /nfs/dbraw/zinc/18/08/76/228180876.db2.gz PDICRRJESYHIPH-OAHLLOKOSA-N 1 1 282.343 4.066 20 0 CIADMO C[C@H](F)CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000352091257 228181406 /nfs/dbraw/zinc/18/14/06/228181406.db2.gz HXBSRFRFGZMPDR-HUBLWGQQSA-N 1 1 265.372 4.116 20 0 CIADMO C[C@H](F)CC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000352102108 228183480 /nfs/dbraw/zinc/18/34/80/228183480.db2.gz ILKGPQAOPACGAG-LBPRGKRZSA-N 1 1 267.369 4.091 20 0 CIADMO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000179403421 260046737 /nfs/dbraw/zinc/04/67/37/260046737.db2.gz RSHLMTCDMPWGGR-BEFAXECRSA-N 1 1 298.474 4.007 20 0 CIADMO Cc1cccc2c1[C@H](C)C[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000179403421 260046738 /nfs/dbraw/zinc/04/67/38/260046738.db2.gz RSHLMTCDMPWGGR-BEFAXECRSA-N 1 1 298.474 4.007 20 0 CIADMO FC(F)(F)[C@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000179620285 260058846 /nfs/dbraw/zinc/05/88/46/260058846.db2.gz KVWLOPHHASJJIG-LBPRGKRZSA-N 1 1 283.293 4.207 20 0 CIADMO Cc1ncsc1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000180149290 260094638 /nfs/dbraw/zinc/09/46/38/260094638.db2.gz IZSMAZABDSGFED-AWEZNQCLSA-N 1 1 292.835 4.442 20 0 CIADMO Cc1cc(C[NH2+][C@H](C)c2c(F)cccc2F)cc(C)c1O ZINC000037771939 260116362 /nfs/dbraw/zinc/11/63/62/260116362.db2.gz DQYLIIGKBSTZSX-GFCCVEGCSA-N 1 1 291.341 4.138 20 0 CIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000037771652 260116374 /nfs/dbraw/zinc/11/63/74/260116374.db2.gz OYTVJJJRESANPD-NEPJUHHUSA-N 1 1 291.341 4.385 20 0 CIADMO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000070444009 260157880 /nfs/dbraw/zinc/15/78/80/260157880.db2.gz YBIGLULOZKFEGG-LSDHHAIUSA-N 1 1 285.435 4.030 20 0 CIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccsc2Cl)cc1F ZINC000312584811 260160917 /nfs/dbraw/zinc/16/09/17/260160917.db2.gz PCPTZLLRMFRALV-SECBINFHSA-N 1 1 299.798 4.400 20 0 CIADMO Cc1cccnc1C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000071339915 260161727 /nfs/dbraw/zinc/16/17/27/260161727.db2.gz KOSHCAWVDOTCCH-CQSZACIVSA-N 1 1 294.320 4.173 20 0 CIADMO CC[C@@H](F)C[NH2+]C(C)(C)c1ccccc1Br ZINC000309478661 260170238 /nfs/dbraw/zinc/17/02/38/260170238.db2.gz SKNUCCMJZCDVTL-SNVBAGLBSA-N 1 1 288.204 4.022 20 0 CIADMO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1nccs1 ZINC000080266832 260179209 /nfs/dbraw/zinc/17/92/09/260179209.db2.gz RFDYMYMJVVBYKO-SECBINFHSA-N 1 1 286.322 4.013 20 0 CIADMO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)c1nccs1 ZINC000080265874 260179342 /nfs/dbraw/zinc/17/93/42/260179342.db2.gz SOYLDFOWALVIEP-NXEZZACHSA-N 1 1 298.358 4.156 20 0 CIADMO Cc1nc([C@H]2CCC[N@@H+]2C/C=C\c2ccccc2)cs1 ZINC000426767530 260221506 /nfs/dbraw/zinc/22/15/06/260221506.db2.gz NVQNFYVPIBFZHQ-VWTAQGJOSA-N 1 1 284.428 4.302 20 0 CIADMO Cc1nc([C@H]2CCC[N@H+]2C/C=C\c2ccccc2)cs1 ZINC000426767530 260221507 /nfs/dbraw/zinc/22/15/07/260221507.db2.gz NVQNFYVPIBFZHQ-VWTAQGJOSA-N 1 1 284.428 4.302 20 0 CIADMO C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)c1nccs1 ZINC000087816573 260231241 /nfs/dbraw/zinc/23/12/41/260231241.db2.gz OKWMMIWCXNPXAY-XHDPSFHLSA-N 1 1 297.427 4.353 20 0 CIADMO CCc1cc(N[C@H](C)c2cc(C)sc2C)nc(C)[nH+]1 ZINC000088760279 260234605 /nfs/dbraw/zinc/23/46/05/260234605.db2.gz HVRFHKAHEBUZLN-SNVBAGLBSA-N 1 1 275.421 4.199 20 0 CIADMO Fc1ccc(C[N@@H+](C[C@H]2CCC(F)(F)C2)C2CC2)cc1 ZINC000517762821 260304341 /nfs/dbraw/zinc/30/43/41/260304341.db2.gz DSEXVXRECOKOGE-ZDUSSCGKSA-N 1 1 283.337 4.226 20 0 CIADMO Fc1ccc(C[N@@H+](C[C@@H]2CCC(F)(F)C2)C2CC2)cc1 ZINC000517762820 260304443 /nfs/dbraw/zinc/30/44/43/260304443.db2.gz DSEXVXRECOKOGE-CYBMUJFWSA-N 1 1 283.337 4.226 20 0 CIADMO c1ccc2cc(C[N@H+](C[C@@H]3CCCCO3)C3CC3)ccc2c1 ZINC000517854500 260311594 /nfs/dbraw/zinc/31/15/94/260311594.db2.gz WDTFKZFJAHEJAR-FQEVSTJZSA-N 1 1 295.426 4.373 20 0 CIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC000518258933 260363435 /nfs/dbraw/zinc/36/34/35/260363435.db2.gz ZZJCYYHYZXKJRI-MRXNPFEDSA-N 1 1 275.440 4.134 20 0 CIADMO CCCC[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000518267787 260364422 /nfs/dbraw/zinc/36/44/22/260364422.db2.gz OHWXZRMQDWAVOA-LBPRGKRZSA-N 1 1 277.437 4.149 20 0 CIADMO Cc1cnccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000521187729 260364443 /nfs/dbraw/zinc/36/44/43/260364443.db2.gz FHPSYLLVEBGZAO-AQNXPRMDSA-N 1 1 292.426 4.158 20 0 CIADMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC000518293636 260369633 /nfs/dbraw/zinc/36/96/33/260369633.db2.gz CTYOQSBKPRZUMT-OLZOCXBDSA-N 1 1 290.432 4.414 20 0 CIADMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)C1 ZINC000518293635 260369649 /nfs/dbraw/zinc/36/96/49/260369649.db2.gz CTYOQSBKPRZUMT-CHWSQXEVSA-N 1 1 290.432 4.414 20 0 CIADMO CC1(C)CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)CCS1 ZINC000409446358 260405861 /nfs/dbraw/zinc/40/58/61/260405861.db2.gz YQEYWILDVCWROZ-OAHLLOKOSA-N 1 1 297.508 4.086 20 0 CIADMO c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000092477528 260502526 /nfs/dbraw/zinc/50/25/26/260502526.db2.gz JPTCLJFTCCOCKR-HXUWFJFHSA-N 1 1 293.410 4.323 20 0 CIADMO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc2ccccc2o1 ZINC000180897135 260527801 /nfs/dbraw/zinc/52/78/01/260527801.db2.gz VLBMSILODIPAAK-AWEZNQCLSA-N 1 1 280.371 4.411 20 0 CIADMO CCc1nc(C)c(C[N@H+]2CCC[C@H]2c2ccc(C)s2)o1 ZINC000428243643 260543455 /nfs/dbraw/zinc/54/34/55/260543455.db2.gz NRNRRRJGGVBTND-ZDUSSCGKSA-N 1 1 290.432 4.252 20 0 CIADMO CCc1nc(C)c(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)o1 ZINC000428941299 260779505 /nfs/dbraw/zinc/77/95/05/260779505.db2.gz IFWRKTJPHILZKK-CJNGLKHVSA-N 1 1 284.403 4.129 20 0 CIADMO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000152025895 261058513 /nfs/dbraw/zinc/05/85/13/261058513.db2.gz BXELBFMWVQHISI-NSHDSACASA-N 1 1 281.302 4.040 20 0 CIADMO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCc3occc32)o1 ZINC000152283639 261062655 /nfs/dbraw/zinc/06/26/55/261062655.db2.gz KYULZHIPSOKVKW-SMDDNHRTSA-N 1 1 259.349 4.163 20 0 CIADMO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000152373297 261063528 /nfs/dbraw/zinc/06/35/28/261063528.db2.gz JQVXAVUCHATVOJ-XHDPSFHLSA-N 1 1 276.330 4.162 20 0 CIADMO CC[C@](C)([NH2+]Cc1ccc(Cl)c(F)c1)c1nccs1 ZINC000152636185 261066866 /nfs/dbraw/zinc/06/68/66/261066866.db2.gz GIPNLNPKGFVXOO-AWEZNQCLSA-N 1 1 298.814 4.351 20 0 CIADMO CC[C@@](C)([NH2+]Cc1ccc(C)c(F)c1)c1nccs1 ZINC000152647160 261067435 /nfs/dbraw/zinc/06/74/35/261067435.db2.gz SXCOCXSPZBYQHF-OAHLLOKOSA-N 1 1 278.396 4.006 20 0 CIADMO CSCC[C@H](C)[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448331372 261114563 /nfs/dbraw/zinc/11/45/63/261114563.db2.gz IJEZQWUJXHJORL-NSHDSACASA-N 1 1 286.510 4.014 20 0 CIADMO CCC1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000448337652 261118547 /nfs/dbraw/zinc/11/85/47/261118547.db2.gz RUDKFFBLPCMZRI-UHFFFAOYSA-N 1 1 266.454 4.063 20 0 CIADMO COC[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(C)o1 ZINC000156478351 261123881 /nfs/dbraw/zinc/12/38/81/261123881.db2.gz ABHVQYPQDQEZAM-ZIAGYGMSSA-N 1 1 291.416 4.004 20 0 CIADMO COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(C)o1 ZINC000156492830 261124547 /nfs/dbraw/zinc/12/45/47/261124547.db2.gz YBPWJVKIBSUDPR-SWLSCSKDSA-N 1 1 293.794 4.280 20 0 CIADMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000448354293 261125629 /nfs/dbraw/zinc/12/56/29/261125629.db2.gz JWXZOSDUMZNLBK-LBPRGKRZSA-N 1 1 278.465 4.205 20 0 CIADMO CCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000157610830 261149260 /nfs/dbraw/zinc/14/92/60/261149260.db2.gz PSSSNEZXWOFNIA-QGZVFWFLSA-N 1 1 299.418 4.058 20 0 CIADMO CCCCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000157610830 261149262 /nfs/dbraw/zinc/14/92/62/261149262.db2.gz PSSSNEZXWOFNIA-QGZVFWFLSA-N 1 1 299.418 4.058 20 0 CIADMO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCO[C@@H](C)C1 ZINC000490536881 261158257 /nfs/dbraw/zinc/15/82/57/261158257.db2.gz CGALXOBTJVYXHX-QXAKKESOSA-N 1 1 289.463 4.145 20 0 CIADMO c1ccc(C[C@H]2CCCC[N@@H+]2CCCc2ccncc2)cc1 ZINC000462312846 261163589 /nfs/dbraw/zinc/16/35/89/261163589.db2.gz AMNSWCHPKNNEEL-HXUWFJFHSA-N 1 1 294.442 4.111 20 0 CIADMO Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000173602765 261166390 /nfs/dbraw/zinc/16/63/90/261166390.db2.gz LRTZWMYPHJBATA-ZBFHGGJFSA-N 1 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C[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)c1nccs1 ZINC000129679565 329619501 /nfs/dbraw/zinc/61/95/01/329619501.db2.gz UGGOLVPAMJCAMU-VXNVDRBHSA-N 1 1 284.837 4.196 20 0 CIADMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C)s1 ZINC000129983852 329621649 /nfs/dbraw/zinc/62/16/49/329621649.db2.gz BNBAVIOCJKAXPK-LLVKDONJSA-N 1 1 280.824 4.264 20 0 CIADMO Fc1ccc(Cl)c(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000419296674 329715599 /nfs/dbraw/zinc/71/55/99/329715599.db2.gz DVLVPFMMJJZBQV-UHFFFAOYSA-N 1 1 297.801 4.013 20 0 CIADMO FC(F)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC12CCCC2 ZINC000429434331 329738896 /nfs/dbraw/zinc/73/88/96/329738896.db2.gz QUAUCHTZSOJAGC-HUUCEWRRSA-N 1 1 279.374 4.175 20 0 CIADMO Cc1[nH+]ccn1CCCSCC/C=C/c1ccccc1 ZINC000419581162 329741227 /nfs/dbraw/zinc/74/12/27/329741227.db2.gz IXJHBZXTPCDCSS-BJMVGYQFSA-N 1 1 286.444 4.418 20 0 CIADMO Cc1occc1C[NH2+][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000419673163 329743992 /nfs/dbraw/zinc/74/39/92/329743992.db2.gz BVYHGKZLXMFETC-KRWDZBQOSA-N 1 1 299.418 4.067 20 0 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292.835 4.443 20 0 CIADMO FC(F)(F)c1ccc(C[N@H+]2CCC3(CCC3)C2)s1 ZINC000432751599 330019974 /nfs/dbraw/zinc/01/99/74/330019974.db2.gz YKKDDOPFLPFMST-UHFFFAOYSA-N 1 1 275.339 4.143 20 0 CIADMO Fc1ccc(CC[NH2+]C2(C(F)F)CCCCC2)cc1F ZINC000510083343 332891418 /nfs/dbraw/zinc/89/14/18/332891418.db2.gz GYTLESIOLGTLAJ-UHFFFAOYSA-N 1 1 289.316 4.065 20 0 CIADMO C[C@@H](c1ccccc1)[N@@H+](CCC1CCOCC1)C1CC1 ZINC000432830444 330050355 /nfs/dbraw/zinc/05/03/55/330050355.db2.gz QUBPTZGRHBNKOG-HNNXBMFYSA-N 1 1 273.420 4.029 20 0 CIADMO C[C@H](c1cccnc1)[N@@H+](C)Cc1csc2ccccc12 ZINC000079880185 330063466 /nfs/dbraw/zinc/06/34/66/330063466.db2.gz UKCOKMPFQYXIOX-CYBMUJFWSA-N 1 1 282.412 4.489 20 0 CIADMO CC(C)(C)c1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)no1 ZINC000429689004 330066074 /nfs/dbraw/zinc/06/60/74/330066074.db2.gz CQYNIAHHUPGMRP-GOSISDBHSA-N 1 1 288.435 4.294 20 0 CIADMO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1F ZINC000421800451 330080471 /nfs/dbraw/zinc/08/04/71/330080471.db2.gz HJLSHWMPDNPVHJ-NSHDSACASA-N 1 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C[C@@H]([NH2+][C@@H](C)c1nccs1)c1cccc(Cl)c1 ZINC000070984448 525624014 /nfs/dbraw/zinc/62/40/14/525624014.db2.gz JTPZZOYSYBHLEG-ZJUUUORDSA-N 1 1 266.797 4.208 20 0 CIADMO C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccco1 ZINC000036968644 525628535 /nfs/dbraw/zinc/62/85/35/525628535.db2.gz XRDHLGLZMNDYHO-GWCFXTLKSA-N 1 1 277.364 4.306 20 0 CIADMO C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1nccs1 ZINC000086508763 525648389 /nfs/dbraw/zinc/64/83/89/525648389.db2.gz BMDOBYLDFVKWCS-BXKDBHETSA-N 1 1 294.420 4.170 20 0 CIADMO C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1nccs1 ZINC000086508766 525690813 /nfs/dbraw/zinc/69/08/13/525690813.db2.gz BMDOBYLDFVKWCS-SKDRFNHKSA-N 1 1 294.420 4.170 20 0 CIADMO C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccsc1 ZINC000369442980 525692873 /nfs/dbraw/zinc/69/28/73/525692873.db2.gz MLLUYFBNUULJEZ-RNCFNFMXSA-N 1 1 279.792 4.186 20 0 CIADMO C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1cc(F)ccc1F ZINC000353548294 525697572 /nfs/dbraw/zinc/69/75/72/525697572.db2.gz LMOINQMYUIEKIK-SNVBAGLBSA-N 1 1 274.314 4.410 20 0 CIADMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2csc(C)n2)s1 ZINC000049160170 525741007 /nfs/dbraw/zinc/74/10/07/525741007.db2.gz XKTRPPINROKFAP-VHSXEESVSA-N 1 1 266.435 4.233 20 0 CIADMO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)Cc2ccco2)cc1 ZINC000367413281 525786306 /nfs/dbraw/zinc/78/63/06/525786306.db2.gz QXGKHDIFTCHTBO-IBGZPJMESA-N 1 1 292.382 4.204 20 0 CIADMO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)Cc2ccco2)cc1 ZINC000367413281 525786316 /nfs/dbraw/zinc/78/63/16/525786316.db2.gz QXGKHDIFTCHTBO-IBGZPJMESA-N 1 1 292.382 4.204 20 0 CIADMO Cc1ccsc1C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292737795 525845760 /nfs/dbraw/zinc/84/57/60/525845760.db2.gz GZESNENZUBHLEA-HNNXBMFYSA-N 1 1 272.417 4.035 20 0 CIADMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2ncc(C)cn2)cc1 ZINC000340848544 525865033 /nfs/dbraw/zinc/86/50/33/525865033.db2.gz SWKYWKIAGKVFGI-LPHOPBHVSA-N 1 1 295.430 4.067 20 0 CIADMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2Cc2ncc(C)cn2)cc1 ZINC000340848544 525865038 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Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)no1 ZINC000503884362 262181660 /nfs/dbraw/zinc/18/16/60/262181660.db2.gz HURAPUBKTXZVPZ-WDEREUQCSA-N 1 1 298.308 4.414 20 0 CIADMO C[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H]1CCCCO1 ZINC000497728165 262197073 /nfs/dbraw/zinc/19/70/73/262197073.db2.gz SFRVTMYIPXFQOO-HXUWFJFHSA-N 1 1 295.426 4.355 20 0 CIADMO C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1c(F)cccc1F ZINC000499597787 262200347 /nfs/dbraw/zinc/20/03/47/262200347.db2.gz BDLXIHSWBFCTIA-LBPRGKRZSA-N 1 1 298.336 4.364 20 0 CIADMO Cc1csc(C[N@H+](C)[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000497760121 262203550 /nfs/dbraw/zinc/20/35/50/262203550.db2.gz XCKUCGHTPVIGPV-HOTGVXAUSA-N 1 1 286.444 4.220 20 0 CIADMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2Cl)o1 ZINC000019908187 262204557 /nfs/dbraw/zinc/20/45/57/262204557.db2.gz HZYXXFASANZRJL-BXUZGUMPSA-N 1 1 275.779 4.346 20 0 CIADMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1F ZINC000019950322 262206407 /nfs/dbraw/zinc/20/64/07/262206407.db2.gz OAUUBXFLOVXUIE-CYBMUJFWSA-N 1 1 273.351 4.075 20 0 CIADMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514089525 262217182 /nfs/dbraw/zinc/21/71/82/262217182.db2.gz MFVYUYYOAOTPDW-DZGCQCFKSA-N 1 1 297.389 4.081 20 0 CIADMO CC[N@@H+](Cc1cccs1)[C@@H](CCOC)c1ccccc1 ZINC000497841860 262217952 /nfs/dbraw/zinc/21/79/52/262217952.db2.gz WEULQPLONZRNFV-KRWDZBQOSA-N 1 1 289.444 4.348 20 0 CIADMO FC(F)[C@@H](CCc1ccccc1)[NH2+]CCc1ccccc1 ZINC000497854182 262221002 /nfs/dbraw/zinc/22/10/02/262221002.db2.gz SLYWAHSOYULLLW-QGZVFWFLSA-N 1 1 289.369 4.085 20 0 CIADMO C[C@@H](c1cccc2ccccc21)[N@H+]1CCC2(C1)CCOCC2 ZINC000525781724 262227404 /nfs/dbraw/zinc/22/74/04/262227404.db2.gz NHMKANNHRVNSNW-INIZCTEOSA-N 1 1 295.426 4.403 20 0 CIADMO Cc1cccc(C[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000020134010 262231789 /nfs/dbraw/zinc/23/17/89/262231789.db2.gz HZIJKTNOCADLHV-GFCCVEGCSA-N 1 1 261.315 4.124 20 0 CIADMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1cc(C)no1 ZINC000525785455 262234946 /nfs/dbraw/zinc/23/49/46/262234946.db2.gz 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287.428 4.019 20 0 CIADMO CO[C@H]1CCC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000534311357 328044932 /nfs/dbraw/zinc/04/49/32/328044932.db2.gz LQSLFHSQUMDZHR-HOCLYGCPSA-N 1 1 269.388 4.012 20 0 CIADMO CCc1ncc(C[N@@H+](C)[C@H]2CCCc3ccccc32)s1 ZINC000534333227 328045457 /nfs/dbraw/zinc/04/54/57/328045457.db2.gz AMMUTAOKNSQICC-INIZCTEOSA-N 1 1 286.444 4.215 20 0 CIADMO c1ccc2c(C[N@H+]3CCC[C@@H]3C3CCCC3)ccnc2c1 ZINC000534342909 328046724 /nfs/dbraw/zinc/04/67/24/328046724.db2.gz LFBLINDYEQCMSH-LJQANCHMSA-N 1 1 280.415 4.389 20 0 CIADMO COc1ccc2oc(C[N@@H+](CC3CC3)C(C)C)cc2c1 ZINC000534337136 328049578 /nfs/dbraw/zinc/04/95/78/328049578.db2.gz MFFGJUDRXWVXOL-UHFFFAOYSA-N 1 1 273.376 4.062 20 0 CIADMO CCc1ncc(C[N@H+](CC)Cc2ccc(C)cc2)s1 ZINC000534336873 328049225 /nfs/dbraw/zinc/04/92/25/328049225.db2.gz SFISFAWTVNLLHO-UHFFFAOYSA-N 1 1 274.433 4.036 20 0 CIADMO CCCOc1cc(C)ccc1C[NH2+]Cc1ccc(CC)o1 ZINC000531864441 328050688 /nfs/dbraw/zinc/05/06/88/328050688.db2.gz YVLNXKZBEPDZTR-UHFFFAOYSA-N 1 1 287.403 4.229 20 0 CIADMO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000563343562 328055113 /nfs/dbraw/zinc/05/51/13/328055113.db2.gz UFMRZBLJSSQIPP-RYUDHWBXSA-N 1 1 269.841 4.228 20 0 CIADMO CCCCOC1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000563330571 328055616 /nfs/dbraw/zinc/05/56/16/328055616.db2.gz QOBBCZCATIDYMF-UHFFFAOYSA-N 1 1 299.817 4.260 20 0 CIADMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3F)C2)c1 ZINC000565169214 328072619 /nfs/dbraw/zinc/07/26/19/328072619.db2.gz GHYALXTVNCOYTL-LSDHHAIUSA-N 1 1 284.378 4.080 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)c1cscn1 ZINC000563634520 328079305 /nfs/dbraw/zinc/07/93/05/328079305.db2.gz CQIJRVGYAHXBLY-MNOVXSKESA-N 1 1 292.473 4.495 20 0 CIADMO CC[C@H](C)Oc1cccc(N[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000563670801 328083455 /nfs/dbraw/zinc/08/34/55/328083455.db2.gz LSWRNTCDMLXSES-MPGHIAIKSA-N 1 1 290.451 4.006 20 0 CIADMO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccncc1Cl ZINC000571156056 328089030 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Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(C)c2)cs1 ZINC000268844364 328186664 /nfs/dbraw/zinc/18/66/64/328186664.db2.gz BFYXMEJTXRNKHD-GHMZBOCLSA-N 1 1 278.396 4.311 20 0 CIADMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)cs1 ZINC000268966107 328187559 /nfs/dbraw/zinc/18/75/59/328187559.db2.gz YNUXAHPPXSHXMK-STQMWFEESA-N 1 1 274.433 4.480 20 0 CIADMO CC(C)COc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000271138516 328195405 /nfs/dbraw/zinc/19/54/05/328195405.db2.gz NSOJGKUJQLSKOW-ZDUSSCGKSA-N 1 1 290.432 4.029 20 0 CIADMO Cc1nocc1C[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000414533682 328192753 /nfs/dbraw/zinc/19/27/53/328192753.db2.gz UJQLGEHMDGGYNW-MSOLQXFVSA-N 1 1 284.403 4.141 20 0 CIADMO CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1occc1C ZINC000414554771 328194106 /nfs/dbraw/zinc/19/41/06/328194106.db2.gz WBGXMMPSJIODGT-UHFFFAOYSA-N 1 1 295.386 4.000 20 0 CIADMO c1ccc(C[N@H+](CC[C@@H]2CCOC2)C2CCCCC2)cc1 ZINC000437582149 328207270 /nfs/dbraw/zinc/20/72/70/328207270.db2.gz YAVHZNOVLQOQKU-GOSISDBHSA-N 1 1 287.447 4.248 20 0 CIADMO CC1=C[C@@H](C)C[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000430274368 328208278 /nfs/dbraw/zinc/20/82/78/328208278.db2.gz GYSSFVLGMJTGJP-CYBMUJFWSA-N 1 1 284.428 4.208 20 0 CIADMO C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000571654972 328215475 /nfs/dbraw/zinc/21/54/75/328215475.db2.gz ZDURETCXPXRPNW-UKRRQHHQSA-N 1 1 286.806 4.286 20 0 CIADMO CCc1ccc([C@@H](C)Nc2cc(CCOC)cc[nH+]2)s1 ZINC000287335536 328250835 /nfs/dbraw/zinc/25/08/35/328250835.db2.gz GCLXGAXESLZXLV-GFCCVEGCSA-N 1 1 290.432 4.068 20 0 CIADMO CCc1ccc([C@H](C)Nc2cc(CCOC)cc[nH+]2)s1 ZINC000287335541 328250859 /nfs/dbraw/zinc/25/08/59/328250859.db2.gz GCLXGAXESLZXLV-LBPRGKRZSA-N 1 1 290.432 4.068 20 0 CIADMO Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@@H](C)C2(C)CC2)s1 ZINC000183604550 329251391 /nfs/dbraw/zinc/25/13/91/329251391.db2.gz REVGBVZDUDCPRD-QMMMGPOBSA-N 1 1 292.370 4.091 20 0 CIADMO Cc1cc(Cl)cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000395150875 329281443 /nfs/dbraw/zinc/28/14/43/329281443.db2.gz 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/nfs/dbraw/zinc/32/23/06/328322306.db2.gz ZSBXGFLSWXQDQC-UHFFFAOYSA-N 1 1 294.527 4.301 20 0 CIADMO CCc1ccc([C@H](C)[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)o1 ZINC000531956081 328331034 /nfs/dbraw/zinc/33/10/34/328331034.db2.gz WBMBONNRKSVMRB-HUBLWGQQSA-N 1 1 273.376 4.409 20 0 CIADMO CC1(C)C[N@H+](Cc2nc3ccccc3o2)Cc2ccccc21 ZINC000534668336 328346529 /nfs/dbraw/zinc/34/65/29/328346529.db2.gz UIHKPRSOQWURQL-UHFFFAOYSA-N 1 1 292.382 4.121 20 0 CIADMO CC1(C)C[N@@H+](Cc2nc3ccccc3o2)Cc2ccccc21 ZINC000534668336 328346530 /nfs/dbraw/zinc/34/65/30/328346530.db2.gz UIHKPRSOQWURQL-UHFFFAOYSA-N 1 1 292.382 4.121 20 0 CIADMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCc1ccccc1Cl ZINC000303395338 328351232 /nfs/dbraw/zinc/35/12/32/328351232.db2.gz QKFJXPCCXMMFSB-CYBMUJFWSA-N 1 1 289.806 4.281 20 0 CIADMO C(c1nc(C2CCCC2)no1)[N@H+]1CCCC12CCCCC2 ZINC000534729975 328359590 /nfs/dbraw/zinc/35/95/90/328359590.db2.gz ZZWSZANYVGWPSC-UHFFFAOYSA-N 1 1 289.423 4.026 20 0 CIADMO CCCC[N@@H+](Cc1cnn(C)c1)[C@@H](CC)c1ccccc1 ZINC000531968415 328357336 /nfs/dbraw/zinc/35/73/36/328357336.db2.gz VZVCDUCPXZBYJF-SFHVURJKSA-N 1 1 285.435 4.174 20 0 CIADMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCSc1ccccc1 ZINC000303708041 328357712 /nfs/dbraw/zinc/35/77/12/328357712.db2.gz PHJCJHMYOKRMJA-CQSZACIVSA-N 1 1 287.428 4.177 20 0 CIADMO CCCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303745901 328358061 /nfs/dbraw/zinc/35/80/61/328358061.db2.gz JYBWOAGWYCIYKD-IEBWSBKVSA-N 1 1 288.479 4.162 20 0 CIADMO COc1cccc(CCC[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000303834239 328359887 /nfs/dbraw/zinc/35/98/87/328359887.db2.gz AIBADPPZXUKVEF-LJQANCHMSA-N 1 1 295.426 4.117 20 0 CIADMO CCC[N@H+](Cc1nnc(C)o1)[C@H](C)c1cc2ccccc2o1 ZINC000053643516 328360374 /nfs/dbraw/zinc/36/03/74/328360374.db2.gz RPOQPMANSBYFRA-GFCCVEGCSA-N 1 1 299.374 4.097 20 0 CIADMO CCC[N@@H+](Cc1nnc(C)o1)[C@H](C)c1cc2ccccc2o1 ZINC000053643516 328360375 /nfs/dbraw/zinc/36/03/75/328360375.db2.gz RPOQPMANSBYFRA-GFCCVEGCSA-N 1 1 299.374 4.097 20 0 CIADMO CCC[N@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C)cc1 ZINC000534810969 328362553 /nfs/dbraw/zinc/36/25/53/328362553.db2.gz KIKULFINFWZQQK-UHFFFAOYSA-N 1 1 284.403 4.273 20 0 CIADMO CCC[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C)cc1 ZINC000534810969 328362554 /nfs/dbraw/zinc/36/25/54/328362554.db2.gz KIKULFINFWZQQK-UHFFFAOYSA-N 1 1 284.403 4.273 20 0 CIADMO c1ccc2nc(C[N@H+]3CCC4(C3)CCCCC4)ccc2c1 ZINC000303925294 328369003 /nfs/dbraw/zinc/36/90/03/328369003.db2.gz POMBQSFLICVDGI-UHFFFAOYSA-N 1 1 280.415 4.391 20 0 CIADMO c1csc(C[N@@H+](CCC2CCCC2)C[C@H]2CCCO2)c1 ZINC000303954722 328370249 /nfs/dbraw/zinc/37/02/49/328370249.db2.gz WUFOGOJRJWAHEA-MRXNPFEDSA-N 1 1 293.476 4.309 20 0 CIADMO CCCCC[N@@H+](Cc1nnc(C2CC2)o1)[C@@H](C)CCC ZINC000101731315 328372803 /nfs/dbraw/zinc/37/28/03/328372803.db2.gz VNPCFOWFWSHZCR-ZDUSSCGKSA-N 1 1 279.428 4.128 20 0 CIADMO Fc1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000534952057 328373278 /nfs/dbraw/zinc/37/32/78/328373278.db2.gz RYXXKNKMGSAQEV-UHFFFAOYSA-N 1 1 298.386 4.035 20 0 CIADMO Cc1cc(C)c([C@H](C)[N@@H+](C)Cc2cccnc2)c(C)c1 ZINC000535052479 328380917 /nfs/dbraw/zinc/38/09/17/328380917.db2.gz KMIIQEFIHNXPGZ-INIZCTEOSA-N 1 1 268.404 4.200 20 0 CIADMO COc1cccc(C[N@@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000535063082 328382156 /nfs/dbraw/zinc/38/21/56/328382156.db2.gz LQKMZHKZXGCUME-GUYCJALGSA-N 1 1 285.387 4.044 20 0 CIADMO CCn1c2ccccc2nc1C[N@@H+]([C@H](C)C(C)C)C1CC1 ZINC000535064822 328382440 /nfs/dbraw/zinc/38/24/40/328382440.db2.gz DLLURDVOUGZASL-CQSZACIVSA-N 1 1 285.435 4.065 20 0 CIADMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000535068195 328383277 /nfs/dbraw/zinc/38/32/77/328383277.db2.gz WRKYCALZZZJCAN-LBPRGKRZSA-N 1 1 299.805 4.409 20 0 CIADMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000535068195 328383279 /nfs/dbraw/zinc/38/32/79/328383279.db2.gz WRKYCALZZZJCAN-LBPRGKRZSA-N 1 1 299.805 4.409 20 0 CIADMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000535068195 328383281 /nfs/dbraw/zinc/38/32/81/328383281.db2.gz WRKYCALZZZJCAN-LBPRGKRZSA-N 1 1 299.805 4.409 20 0 CIADMO c1csc(C[N@@H+](Cc2ccnc3ccccc23)C2CC2)c1 ZINC000535069653 328383399 /nfs/dbraw/zinc/38/33/99/328383399.db2.gz LQMLOSKMVLUXJH-UHFFFAOYSA-N 1 1 294.423 4.461 20 0 CIADMO c1ccc([C@H]2C[C@@H]2C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000535069557 328383706 /nfs/dbraw/zinc/38/37/06/328383706.db2.gz FLQVQLQDCOKKOW-CRAIPNDOSA-N 1 1 255.405 4.197 20 0 CIADMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000535072262 328383976 /nfs/dbraw/zinc/38/39/76/328383976.db2.gz ZUQZOEQCQPYWKD-AWEZNQCLSA-N 1 1 279.387 4.064 20 0 CIADMO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000535072262 328383977 /nfs/dbraw/zinc/38/39/77/328383977.db2.gz ZUQZOEQCQPYWKD-AWEZNQCLSA-N 1 1 279.387 4.064 20 0 CIADMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000535072262 328383979 /nfs/dbraw/zinc/38/39/79/328383979.db2.gz ZUQZOEQCQPYWKD-AWEZNQCLSA-N 1 1 279.387 4.064 20 0 CIADMO COCc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000535079868 328384991 /nfs/dbraw/zinc/38/49/91/328384991.db2.gz IKNDJUWTVCQSCE-LJQANCHMSA-N 1 1 299.389 4.309 20 0 CIADMO C[C@H](c1cccs1)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000050143613 328385520 /nfs/dbraw/zinc/38/55/20/328385520.db2.gz RFYUFTSBOXFOMB-GFCCVEGCSA-N 1 1 291.391 4.153 20 0 CIADMO C[C@H]([N@@H+](C)Cc1ccc(Oc2cnccn2)cc1)C(C)(C)C ZINC000535085083 328385889 /nfs/dbraw/zinc/38/58/89/328385889.db2.gz IXTYCPFVSDOFDJ-AWEZNQCLSA-N 1 1 299.418 4.135 20 0 CIADMO CC(C)Cc1ncc(C[N@@H+](C)[C@@H](C)C(C)(C)C)s1 ZINC000535084982 328385892 /nfs/dbraw/zinc/38/58/92/328385892.db2.gz NEOFUOSCADZZPU-LBPRGKRZSA-N 1 1 268.470 4.208 20 0 CIADMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000535085361 328386298 /nfs/dbraw/zinc/38/62/98/328386298.db2.gz VBAPXJUOYMYEDS-AWEZNQCLSA-N 1 1 279.472 4.121 20 0 CIADMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1cnc(C2CC2)s1)C1CC1 ZINC000535086301 328387345 /nfs/dbraw/zinc/38/73/45/328387345.db2.gz BFSPPDDQNZPKFS-NWDGAFQWSA-N 1 1 278.465 4.420 20 0 CIADMO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)sc1C ZINC000532036416 328398332 /nfs/dbraw/zinc/39/83/32/328398332.db2.gz OMUZTYRUANEVSA-CQDKDKBSSA-N 1 1 278.465 4.161 20 0 CIADMO CCc1nc(C[NH2+][C@@H](CC)c2cccc(F)c2)cs1 ZINC000187986159 328426472 /nfs/dbraw/zinc/42/64/72/328426472.db2.gz RKPQEDABMKJJOT-AWEZNQCLSA-N 1 1 278.396 4.086 20 0 CIADMO Cc1[nH+]ccn1CCCSCc1ccc2c(c1)CCC2 ZINC000344478992 328558065 /nfs/dbraw/zinc/55/80/65/328558065.db2.gz CKWBRLDTJIXLEK-UHFFFAOYSA-N 1 1 286.444 4.004 20 0 CIADMO Cc1ccoc1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000345703225 328567612 /nfs/dbraw/zinc/56/76/12/328567612.db2.gz IHQHWXHEYDQKDH-AWEZNQCLSA-N 1 1 291.778 4.245 20 0 CIADMO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ncccc2F)c2ccccc21 ZINC000530476521 326815377 /nfs/dbraw/zinc/81/53/77/326815377.db2.gz RVKNDLJIWCDINZ-DOTOQJQBSA-N 1 1 284.378 4.195 20 0 CIADMO CC[C@H]([NH2+][C@H](C)c1csc(C)n1)c1ccccc1OC ZINC000036995221 326833159 /nfs/dbraw/zinc/83/31/59/326833159.db2.gz PPPBREJFYYTQSO-RISCZKNCSA-N 1 1 290.432 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Cc1ccccc1-c1cnc(C[N@H+](C)[C@H]2CC[C@H](C)C2)o1 ZINC000576058712 335147440 /nfs/dbraw/zinc/14/74/40/335147440.db2.gz WGFULGYIHTXTOY-ZFWWWQNUSA-N 1 1 284.403 4.270 20 0 CIADMO Cc1[nH+]ccn1CCCCSc1ccc2ccccc2n1 ZINC000124599804 333560245 /nfs/dbraw/zinc/56/02/45/333560245.db2.gz SNWOTHNAQXDVEX-UHFFFAOYSA-N 1 1 297.427 4.312 20 0 CIADMO Cc1[nH+]ccn1CCCS[C@H](C)CCc1ccccc1 ZINC000538415172 333589745 /nfs/dbraw/zinc/58/97/45/333589745.db2.gz FNXVQUNKMJOBDM-OAHLLOKOSA-N 1 1 288.460 4.336 20 0 CIADMO CCOc1ccc([C@H](C)Nc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000538639963 333610396 /nfs/dbraw/zinc/61/03/96/333610396.db2.gz MBYAWYKFPVRKAQ-ZDUSSCGKSA-N 1 1 295.386 4.145 20 0 CIADMO CC(C)[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1cccnc1 ZINC000539204397 333661017 /nfs/dbraw/zinc/66/10/17/333661017.db2.gz RLWBZSRMQUELMU-MRXNPFEDSA-N 1 1 292.785 4.361 20 0 CIADMO Cc1cnccc1C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000576102997 335154060 /nfs/dbraw/zinc/15/40/60/335154060.db2.gz NXNDANJNDBHESM-ACJLOTCBSA-N 1 1 284.378 4.112 20 0 CIADMO Cc1nc2c(s1)[C@H](Nc1cccc3cc[nH+]cc31)CCC2 ZINC000539726740 333687721 /nfs/dbraw/zinc/68/77/21/333687721.db2.gz FOJZVLDASQRXIM-MRXNPFEDSA-N 1 1 295.411 4.489 20 0 CIADMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(Cl)cc1 ZINC000539739797 333688616 /nfs/dbraw/zinc/68/86/16/333688616.db2.gz AIOQJBPRTZOLGM-LLVKDONJSA-N 1 1 285.778 4.400 20 0 CIADMO Cc1cnc(C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)nc1 ZINC000540343556 333726303 /nfs/dbraw/zinc/72/63/03/333726303.db2.gz XENGKSUSBMDXOA-LJQANCHMSA-N 1 1 297.446 4.395 20 0 CIADMO Cn1c[nH+]c2cc(N[C@@H](c3ccc(F)cc3)C3CC3)ccc21 ZINC000540835692 333749548 /nfs/dbraw/zinc/74/95/48/333749548.db2.gz VOVHQVZCLGCZHI-GOSISDBHSA-N 1 1 295.361 4.276 20 0 CIADMO Cn1c[nH+]c2cc(N[C@H]3CCCc4cc(F)ccc43)ccc21 ZINC000540836209 333749570 /nfs/dbraw/zinc/74/95/70/333749570.db2.gz DGHAEBNBUCYIHH-INIZCTEOSA-N 1 1 295.361 4.202 20 0 CIADMO CC[C@@H]([NH2+][C@H](C)c1cscn1)c1ccsc1 ZINC000576123075 335158290 /nfs/dbraw/zinc/15/82/90/335158290.db2.gz ZBHFNFPIZUBOIQ-MWLCHTKSSA-N 1 1 252.408 4.007 20 0 CIADMO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1ccon1 ZINC000541784364 333792692 /nfs/dbraw/zinc/79/26/92/333792692.db2.gz IXNUYAWDBRCEMF-GFCCVEGCSA-N 1 1 284.384 4.254 20 0 CIADMO CSc1ccc([C@H](C)Nc2cc[nH+]cc2Cl)cc1 ZINC000541922731 333801359 /nfs/dbraw/zinc/80/13/59/333801359.db2.gz OAMCSSBSCFUUKG-JTQLQIEISA-N 1 1 278.808 4.052 20 0 CIADMO Cc1cccc(N2CC[C@H](c3ccccc3)C[C@@H]2C)[nH+]1 ZINC000542139262 333811625 /nfs/dbraw/zinc/81/16/25/333811625.db2.gz ZCVXQSSKTYDGEF-RDJZCZTQSA-N 1 1 266.388 4.163 20 0 CIADMO CSc1ccc([C@@H](C)Nc2cc[nH+]cc2Cl)cc1 ZINC000542162583 333812781 /nfs/dbraw/zinc/81/27/81/333812781.db2.gz OAMCSSBSCFUUKG-SNVBAGLBSA-N 1 1 278.808 4.052 20 0 CIADMO CC[N@@H+](CCCC(C)(C)C)[C@H]1CCOC(C)(C)C1 ZINC000576150968 335160953 /nfs/dbraw/zinc/16/09/53/335160953.db2.gz RAYCHOOEDYCIML-AWEZNQCLSA-N 1 1 255.446 4.092 20 0 CIADMO CC(C)c1ccc(C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000070942466 333840155 /nfs/dbraw/zinc/84/01/55/333840155.db2.gz UUSQBILTHXZTEE-LBPRGKRZSA-N 1 1 260.406 4.117 20 0 CIADMO CCc1cnc(C[NH2+]C(C)(C)c2ccc(CC)cc2)s1 ZINC000543175988 333862652 /nfs/dbraw/zinc/86/26/52/333862652.db2.gz XUGWSHIEQCVJTL-UHFFFAOYSA-N 1 1 288.460 4.293 20 0 CIADMO Cc1sc([C@H](C)[NH2+]CCF)nc1-c1ccc(Cl)cc1 ZINC000543504949 333878596 /nfs/dbraw/zinc/87/85/96/333878596.db2.gz OPYCTZNIHNZNLI-VIFPVBQESA-N 1 1 298.814 4.392 20 0 CIADMO CC(C)COc1ccccc1C[NH2+][C@@H](C)c1ccco1 ZINC000130828492 333878772 /nfs/dbraw/zinc/87/87/72/333878772.db2.gz CTZQFCOCADYBRS-AWEZNQCLSA-N 1 1 273.376 4.165 20 0 CIADMO Cc1nc([C@@H](C)Nc2cccc3cc[nH+]cc32)cs1 ZINC000131064879 333896896 /nfs/dbraw/zinc/89/68/96/333896896.db2.gz SOVBAWBCNTXSDT-SNVBAGLBSA-N 1 1 269.373 4.173 20 0 CIADMO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccon1 ZINC000544546892 333935112 /nfs/dbraw/zinc/93/51/12/333935112.db2.gz GUFHVQQGGMNZJS-UWVGGRQHSA-N 1 1 284.281 4.105 20 0 CIADMO Cc1nc(C)c([C@@H](C)Nc2cccc3cc[nH+]cc32)s1 ZINC000131485521 333943566 /nfs/dbraw/zinc/94/35/66/333943566.db2.gz KTXCYTHUUFEHGX-LLVKDONJSA-N 1 1 283.400 4.481 20 0 CIADMO Cc1ccc([C@@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 ZINC000072591703 333945002 /nfs/dbraw/zinc/94/50/02/333945002.db2.gz GJCQDRKDGHZBNV-IBGZPJMESA-N 1 1 277.367 4.467 20 0 CIADMO CC(C)Cc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000072662730 333949716 /nfs/dbraw/zinc/94/97/16/333949716.db2.gz FRYAKCMWMXXGRQ-UHFFFAOYSA-N 1 1 288.460 4.367 20 0 CIADMO C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000564294290 334001020 /nfs/dbraw/zinc/00/10/20/334001020.db2.gz SWDXHLPIUJOFGC-PBHICJAKSA-N 1 1 284.378 4.161 20 0 CIADMO COCCCC[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000074330041 334003758 /nfs/dbraw/zinc/00/37/58/334003758.db2.gz VSSIOHAHCPSKSP-SFHVURJKSA-N 1 1 291.435 4.039 20 0 CIADMO c1cc2cc[nH+]cc2c(N[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000545982723 334010248 /nfs/dbraw/zinc/01/02/48/334010248.db2.gz GPOAQMZGIVYVMU-BRWVUGGUSA-N 1 1 296.414 4.242 20 0 CIADMO c1cc2cc[nH+]cc2c(N[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000545982726 334010287 /nfs/dbraw/zinc/01/02/87/334010287.db2.gz GPOAQMZGIVYVMU-YESZJQIVSA-N 1 1 296.414 4.242 20 0 CIADMO c1cc2cc[nH+]cc2c(N[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000545982725 334010454 /nfs/dbraw/zinc/01/04/54/334010454.db2.gz GPOAQMZGIVYVMU-IXDOHACOSA-N 1 1 296.414 4.242 20 0 CIADMO C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)CC1(C)C ZINC000546125523 334016029 /nfs/dbraw/zinc/01/60/29/334016029.db2.gz KYEZCBPEBWTSBR-LLVKDONJSA-N 1 1 251.336 4.087 20 0 CIADMO Cc1ccc(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)nc1 ZINC000133097913 334016230 /nfs/dbraw/zinc/01/62/30/334016230.db2.gz HYVQJDKYYRGDSK-GOSISDBHSA-N 1 1 268.404 4.219 20 0 CIADMO C[C@H](Cc1[nH]cc[nH+]1)OCC1CCC(C(C)(C)C)CC1 ZINC000546188490 334018964 /nfs/dbraw/zinc/01/89/64/334018964.db2.gz LXDRWAONJUKPNY-WLYUNCDWSA-N 1 1 278.440 4.210 20 0 CIADMO CCCC[C@H](CC)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000546223249 334020271 /nfs/dbraw/zinc/02/02/71/334020271.db2.gz DODUYYOLUDQPNH-DOTOQJQBSA-N 1 1 260.425 4.435 20 0 CIADMO CC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1nccs1 ZINC000175013330 335171197 /nfs/dbraw/zinc/17/11/97/335171197.db2.gz ZRCRACPUCOWJCV-UONOGXRCSA-N 1 1 276.380 4.010 20 0 CIADMO c1cc([C@H]2CCC[N@@H+]2CC2CCCCCC2)ccn1 ZINC000546589367 334038823 /nfs/dbraw/zinc/03/88/23/334038823.db2.gz QOWTTWJAEIDAIA-QGZVFWFLSA-N 1 1 258.409 4.189 20 0 CIADMO Cc1ncccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000564307450 334045258 /nfs/dbraw/zinc/04/52/58/334045258.db2.gz JAMMKDACXVRZHY-ZCNNSNEGSA-N 1 1 292.426 4.158 20 0 CIADMO C[N@@H+](CCCCC(F)(F)F)CCc1ccc(F)cc1 ZINC000133576384 334045876 /nfs/dbraw/zinc/04/58/76/334045876.db2.gz AEYNBDXKZSDSGF-UHFFFAOYSA-N 1 1 277.305 4.033 20 0 CIADMO C[C@H]([N@@H+](Cc1ccno1)Cc1ccccc1)C(C)(C)C ZINC000546690348 334046073 /nfs/dbraw/zinc/04/60/73/334046073.db2.gz LVJBMUSDDXAROA-AWEZNQCLSA-N 1 1 272.392 4.111 20 0 CIADMO CC(C)[N@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000075622444 334047375 /nfs/dbraw/zinc/04/73/75/334047375.db2.gz FWHQOALLGNVCMM-UHFFFAOYSA-N 1 1 274.795 4.146 20 0 CIADMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000075622444 334047376 /nfs/dbraw/zinc/04/73/76/334047376.db2.gz FWHQOALLGNVCMM-UHFFFAOYSA-N 1 1 274.795 4.146 20 0 CIADMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccncc1Cl ZINC000075745772 334050098 /nfs/dbraw/zinc/05/00/98/334050098.db2.gz MDTOOOOHBLARBO-CZUORRHYSA-N 1 1 286.806 4.113 20 0 CIADMO Cc1cc(CNc2[nH+]cccc2C)c(OC(F)F)cc1C ZINC000546767380 334050247 /nfs/dbraw/zinc/05/02/47/334050247.db2.gz QGWVHKXMNFMEQO-UHFFFAOYSA-N 1 1 292.329 4.220 20 0 CIADMO C[N@@H+](Cc1ccc(-c2ccccc2)s1)[C@H]1CCCOC1 ZINC000564310950 334053620 /nfs/dbraw/zinc/05/36/20/334053620.db2.gz GWMHWFJZPALVRN-HNNXBMFYSA-N 1 1 287.428 4.026 20 0 CIADMO CCCC[C@H](CC)C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000546930319 334055581 /nfs/dbraw/zinc/05/55/81/334055581.db2.gz GUTDEWWXAJRATF-JKSUJKDBSA-N 1 1 277.456 4.380 20 0 CIADMO Cc1cccc(C)c1[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000546933856 334056197 /nfs/dbraw/zinc/05/61/97/334056197.db2.gz FFHNHBLQYQBOGA-INIZCTEOSA-N 1 1 288.479 4.217 20 0 CIADMO Cc1cccc(C)c1[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000546933856 334056199 /nfs/dbraw/zinc/05/61/99/334056199.db2.gz FFHNHBLQYQBOGA-INIZCTEOSA-N 1 1 288.479 4.217 20 0 CIADMO CCc1ccc([C@H](C)[NH2+]Cc2cc3ccccc3o2)o1 ZINC000133785201 334056845 /nfs/dbraw/zinc/05/68/45/334056845.db2.gz DRQDVKFHWAMJKS-LBPRGKRZSA-N 1 1 269.344 4.439 20 0 CIADMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000075885920 334057212 /nfs/dbraw/zinc/05/72/12/334057212.db2.gz YBPLCXZIVNNALR-KRWDZBQOSA-N 1 1 286.419 4.053 20 0 CIADMO CCO[C@@H](C)c1nc(C[N@H+](C)CCC2CCCC2)cs1 ZINC000075888059 334057360 /nfs/dbraw/zinc/05/73/60/334057360.db2.gz AGAKSQSOLCUGGT-ZDUSSCGKSA-N 1 1 296.480 4.253 20 0 CIADMO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC2CCCC2)cs1 ZINC000075888059 334057361 /nfs/dbraw/zinc/05/73/61/334057361.db2.gz AGAKSQSOLCUGGT-ZDUSSCGKSA-N 1 1 296.480 4.253 20 0 CIADMO CCCCC[N@@H+](Cc1ccc(Br)cn1)C(C)C ZINC000134537520 334094019 /nfs/dbraw/zinc/09/40/19/334094019.db2.gz HKOYXPZHURGEDO-UHFFFAOYSA-N 1 1 299.256 4.245 20 0 CIADMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cnc(C)s2)o1 ZINC000076120678 334073598 /nfs/dbraw/zinc/07/35/98/334073598.db2.gz ZPYNOEICPXHMHQ-ABAIWWIYSA-N 1 1 290.432 4.326 20 0 CIADMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000547307750 334077565 /nfs/dbraw/zinc/07/75/65/334077565.db2.gz YQTNXGADHAENEC-RISCZKNCSA-N 1 1 253.336 4.387 20 0 CIADMO C[C@H](CCc1cccc(F)c1)[N@@H+](Cc1cccnc1)C1CC1 ZINC000564318158 334081997 /nfs/dbraw/zinc/08/19/97/334081997.db2.gz YGRDZXRVTZUTDL-OAHLLOKOSA-N 1 1 298.405 4.206 20 0 CIADMO Cc1cccc(N[C@@H](C)c2ccc(Br)s2)[nH+]1 ZINC000134165767 334082574 /nfs/dbraw/zinc/08/25/74/334082574.db2.gz IEURMHRDJJIOCC-VIFPVBQESA-N 1 1 297.221 4.387 20 0 CIADMO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccc(Cl)cc1 ZINC000547357012 334083157 /nfs/dbraw/zinc/08/31/57/334083157.db2.gz SOFQVTXHFNTTON-ZUZCIYMTSA-N 1 1 291.753 4.263 20 0 CIADMO C[C@@H]([NH2+]Cc1ccoc1)c1cc(Cl)ccc1Cl ZINC000134288156 334086850 /nfs/dbraw/zinc/08/68/50/334086850.db2.gz QDHRVFRHGWCKDX-SECBINFHSA-N 1 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/nfs/dbraw/zinc/41/89/16/522418916.db2.gz HANWVYROUZHJFS-LLVKDONJSA-N 1 1 285.416 4.038 20 0 CIADMO C[N@@H+](CC1(C)CCC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000278555440 522591968 /nfs/dbraw/zinc/59/19/68/522591968.db2.gz ZXZXNCCPKLXWFX-SJORKVTESA-N 1 1 291.410 4.168 20 0 CIADMO CC[C@H]([NH2+]Cc1occc1C)c1ccc(F)cc1F ZINC000266162700 522674086 /nfs/dbraw/zinc/67/40/86/522674086.db2.gz NYXWDLKKCKBJIM-AWEZNQCLSA-N 1 1 265.303 4.107 20 0 CIADMO Clc1ccsc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352569971 534655012 /nfs/dbraw/zinc/65/50/12/534655012.db2.gz AKSWZVXFCGJSJD-UHFFFAOYSA-N 1 1 279.792 4.284 20 0 CIADMO CC[C@H]([NH2+][C@H](C)c1cc(C)ccn1)c1ccc(F)cc1F ZINC000286288014 522735601 /nfs/dbraw/zinc/73/56/01/522735601.db2.gz WAXMQKQIVVHIIY-WBMJQRKESA-N 1 1 290.357 4.470 20 0 CIADMO CC[C@@H]([NH2+]Cc1occc1C)c1ccccc1OC(F)F ZINC000266167895 522897251 /nfs/dbraw/zinc/89/72/51/522897251.db2.gz BAMGMOKZYYPBQS-CYBMUJFWSA-N 1 1 295.329 4.430 20 0 CIADMO CC[C@H](c1ccccc1)[N@H+](CC)Cc1nnc(C(C)C)o1 ZINC000263700925 522943337 /nfs/dbraw/zinc/94/33/37/522943337.db2.gz BJYXYUSGIAGRBB-OAHLLOKOSA-N 1 1 287.407 4.166 20 0 CIADMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1nnc(C(C)C)o1 ZINC000263700925 522943347 /nfs/dbraw/zinc/94/33/47/522943347.db2.gz BJYXYUSGIAGRBB-OAHLLOKOSA-N 1 1 287.407 4.166 20 0 CIADMO CC[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(C)n1 ZINC000340674444 523090973 /nfs/dbraw/zinc/09/09/73/523090973.db2.gz LAAIRLPBKFVFFZ-HNNXBMFYSA-N 1 1 278.396 4.174 20 0 CIADMO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(C)n1 ZINC000340674444 523090979 /nfs/dbraw/zinc/09/09/79/523090979.db2.gz LAAIRLPBKFVFFZ-HNNXBMFYSA-N 1 1 278.396 4.174 20 0 CIADMO CC[C@@H]1CCC[N@H+]1Cc1csc(-c2ccc(C)o2)n1 ZINC000340675607 523269937 /nfs/dbraw/zinc/26/99/37/523269937.db2.gz IOZKPNAUCFVGTL-CYBMUJFWSA-N 1 1 276.405 4.086 20 0 CIADMO Cc1cccc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000347357787 534710563 /nfs/dbraw/zinc/71/05/63/534710563.db2.gz XUKLYICNZWIEAM-YJBOKZPZSA-N 1 1 298.455 4.069 20 0 CIADMO CCn1cc([C@H](C)[NH2+]Cc2c(Cl)cccc2Cl)cn1 ZINC000269002625 523472299 /nfs/dbraw/zinc/47/22/99/523472299.db2.gz LVRXVRXJEOYOJT-JTQLQIEISA-N 1 1 298.217 4.061 20 0 CIADMO CCc1cc(OC)ccc1CNc1cc(C2CC2)cc[nH+]1 ZINC000353102390 523839553 /nfs/dbraw/zinc/83/95/53/523839553.db2.gz CGZZRMDBFQPWJK-UHFFFAOYSA-N 1 1 282.387 4.142 20 0 CIADMO COc1ccc(CNc2cccc(C3CC3)[nH+]2)c(Cl)c1 ZINC000339429458 524101670 /nfs/dbraw/zinc/10/16/70/524101670.db2.gz LTOZOWGTDAPOIG-UHFFFAOYSA-N 1 1 288.778 4.233 20 0 CIADMO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1occc1C ZINC000293282701 524255069 /nfs/dbraw/zinc/25/50/69/524255069.db2.gz CZDBCZSXDCDRSJ-NSHDSACASA-N 1 1 279.767 4.101 20 0 CIADMO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2nccs2)c1 ZINC000130552631 524461520 /nfs/dbraw/zinc/46/15/20/524461520.db2.gz RHAPQVPKRVBMJK-CHWSQXEVSA-N 1 1 260.406 4.172 20 0 CIADMO Cc1cccc(N2CCC[C@H]2c2nc3ccccc3s2)[nH+]1 ZINC000127491532 524543478 /nfs/dbraw/zinc/54/34/78/524543478.db2.gz QLVOTCOHCBHIPI-AWEZNQCLSA-N 1 1 295.411 4.341 20 0 CIADMO C[C@@H](C[N@@H+](C)[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000276115010 524577554 /nfs/dbraw/zinc/57/75/54/524577554.db2.gz AOOSWGRDWMANDK-UONOGXRCSA-N 1 1 272.367 4.017 20 0 CIADMO Cc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)on1 ZINC000265656236 524680074 /nfs/dbraw/zinc/68/00/74/524680074.db2.gz PKGPZNIUYWSWTP-OAHLLOKOSA-N 1 1 274.364 4.002 20 0 CIADMO COc1ccccc1[C@@H](C)SCCCn1cc[nH+]c1C ZINC000266264020 524729100 /nfs/dbraw/zinc/72/91/00/524729100.db2.gz WJCCSLQWPNKQTP-CYBMUJFWSA-N 1 1 290.432 4.085 20 0 CIADMO Cc1cc(C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)on1 ZINC000125685035 524766734 /nfs/dbraw/zinc/76/67/34/524766734.db2.gz YVDWRZKCTZQPAS-JTQLQIEISA-N 1 1 298.358 4.149 20 0 CIADMO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274947757 524782361 /nfs/dbraw/zinc/78/23/61/524782361.db2.gz USIJOERUEMTWFX-NWDGAFQWSA-N 1 1 290.794 4.155 20 0 CIADMO Cc1csc(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)n1 ZINC000352805493 534807913 /nfs/dbraw/zinc/80/79/13/534807913.db2.gz SCPPENSHFPDXKW-XJKSGUPXSA-N 1 1 286.444 4.425 20 0 CIADMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000337249961 525099851 /nfs/dbraw/zinc/09/98/51/525099851.db2.gz QMAHXYWSDFKUNV-SMDDNHRTSA-N 1 1 294.320 4.008 20 0 CIADMO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC000278666965 525359051 /nfs/dbraw/zinc/35/90/51/525359051.db2.gz QRSVYOXJCLXYNV-CYBMUJFWSA-N 1 1 272.392 4.131 20 0 CIADMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000263730869 525385917 /nfs/dbraw/zinc/38/59/17/525385917.db2.gz PTSUYXZUBWTNFK-LSDHHAIUSA-N 1 1 299.418 4.052 20 0 CIADMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000340843259 525393092 /nfs/dbraw/zinc/39/30/92/525393092.db2.gz SSNOVDLBZJDIHX-GDBMZVCRSA-N 1 1 296.414 4.238 20 0 CIADMO Cc1cc([C@@H](C)Nc2cc[nH+]cc2Cl)c(C)o1 ZINC000094195522 525478161 /nfs/dbraw/zinc/47/81/61/525478161.db2.gz ICYRSBSZEORLAB-SECBINFHSA-N 1 1 250.729 4.118 20 0 CIADMO C[C@H]([NH2+]Cc1nccs1)c1ccccc1C(F)(F)F ZINC000041011686 525492148 /nfs/dbraw/zinc/49/21/48/525492148.db2.gz IKZPWPVFWGGTJJ-VIFPVBQESA-N 1 1 286.322 4.013 20 0 CIADMO C[C@H]([NH2+]Cc1nccs1)c1ccc(Cl)c(Cl)c1 ZINC000041012160 525492789 /nfs/dbraw/zinc/49/27/89/525492789.db2.gz JEAUNMZOMCPIBI-QMMMGPOBSA-N 1 1 287.215 4.301 20 0 CIADMO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1nc(C(C)(C)C)cs1 ZINC000156629396 525538248 /nfs/dbraw/zinc/53/82/48/525538248.db2.gz YHLNVHZVNXYFFB-RYUDHWBXSA-N 1 1 289.448 4.247 20 0 CIADMO C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccco1 ZINC000036968640 525577183 /nfs/dbraw/zinc/57/71/83/525577183.db2.gz XRDHLGLZMNDYHO-GXFFZTMASA-N 1 1 277.364 4.306 20 0 CIADMO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1nc(C2CC2)no1 ZINC000104701939 525598866 /nfs/dbraw/zinc/59/88/66/525598866.db2.gz ZMTBWJSUQLHAQH-BLLLJJGKSA-N 1 1 297.402 4.139 20 0 CIADMO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1nccs1 ZINC000089214006 525613799 /nfs/dbraw/zinc/61/37/99/525613799.db2.gz XOVYVPFMHNFRGG-HZMBPMFUSA-N 1 1 276.380 4.010 20 0 CIADMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1csc(C)n1 ZINC000037118582 525626518 /nfs/dbraw/zinc/62/65/18/525626518.db2.gz ABXSQVPBQYTHAT-AWEZNQCLSA-N 1 1 290.432 4.156 20 0 CIADMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)c1nccnc1C ZINC000187805558 525627976 /nfs/dbraw/zinc/62/79/76/525627976.db2.gz GEUODJIZURIJRT-DZGCQCFKSA-N 1 1 299.418 4.051 20 0 CIADMO C[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)c1c(F)cncc1F ZINC000290393139 525636217 /nfs/dbraw/zinc/63/62/17/525636217.db2.gz SKBNHZIHYYTKQN-GDLVEWKHSA-N 1 1 288.341 4.259 20 0 CIADMO C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1ccc2c(c1)COC2 ZINC000290199118 525641683 /nfs/dbraw/zinc/64/16/83/525641683.db2.gz OZBPDJVFMLXBCK-LBPRGKRZSA-N 1 1 280.371 4.162 20 0 CIADMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(Cl)cn1 ZINC000274800166 525662611 /nfs/dbraw/zinc/66/26/11/525662611.db2.gz UWPSPDQOLKDUJW-NXEZZACHSA-N 1 1 296.748 4.425 20 0 CIADMO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1nccs1 ZINC000089214007 525680451 /nfs/dbraw/zinc/68/04/51/525680451.db2.gz XOVYVPFMHNFRGG-YGRLFVJLSA-N 1 1 276.380 4.010 20 0 CIADMO Cc1cc[nH+]c(N[C@H](C)c2ccc(Cl)s2)c1 ZINC000043561629 525702197 /nfs/dbraw/zinc/70/21/97/525702197.db2.gz PKUQVOZXAKBBCE-SECBINFHSA-N 1 1 252.770 4.278 20 0 CIADMO Cc1ccncc1C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000353363875 525739620 /nfs/dbraw/zinc/73/96/20/525739620.db2.gz NOSGRIFWSXSYGN-CQSZACIVSA-N 1 1 280.371 4.329 20 0 CIADMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)s1 ZINC000285751482 525745199 /nfs/dbraw/zinc/74/51/99/525745199.db2.gz SAGZWEUFQNWIEL-NXEZZACHSA-N 1 1 282.359 4.142 20 0 CIADMO CSCc1cnc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)s1 ZINC000354574493 525747516 /nfs/dbraw/zinc/74/75/16/525747516.db2.gz GWJIIEOMJHVBEG-OLZOCXBDSA-N 1 1 296.505 4.017 20 0 CIADMO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2cccnc2)o1 ZINC000151195201 525797987 /nfs/dbraw/zinc/79/79/87/525797987.db2.gz ISVBGCZDJWGYTC-INIZCTEOSA-N 1 1 270.376 4.100 20 0 CIADMO Cc1ccc([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000128692130 525930143 /nfs/dbraw/zinc/93/01/43/525930143.db2.gz XRPRUADQWXSGIJ-ZDUSSCGKSA-N 1 1 274.433 4.426 20 0 CIADMO Cc1ccc([C@H]([NH2+]Cc2noc3c2CCCC3)C2CC2)cc1 ZINC000365387272 525970967 /nfs/dbraw/zinc/97/09/67/525970967.db2.gz DMXPSLAYCAVNTL-IBGZPJMESA-N 1 1 296.414 4.103 20 0 CIADMO CSc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000080346590 526001775 /nfs/dbraw/zinc/00/17/75/526001775.db2.gz LYYSCDAEGUOBLQ-UHFFFAOYSA-N 1 1 292.473 4.198 20 0 CIADMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000337175304 526082588 /nfs/dbraw/zinc/08/25/88/526082588.db2.gz HXGFVWJZGVECRS-CQSZACIVSA-N 1 1 292.382 4.133 20 0 CIADMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000275320432 526112784 /nfs/dbraw/zinc/11/27/84/526112784.db2.gz SYCCVYGPSUVMKA-NSHDSACASA-N 1 1 278.758 4.067 20 0 CIADMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000275320432 526112796 /nfs/dbraw/zinc/11/27/96/526112796.db2.gz SYCCVYGPSUVMKA-NSHDSACASA-N 1 1 278.758 4.067 20 0 CIADMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000079881402 526118958 /nfs/dbraw/zinc/11/89/58/526118958.db2.gz XZXJCTVVTOWXQO-LBPRGKRZSA-N 1 1 294.320 4.293 20 0 CIADMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000156978483 526125655 /nfs/dbraw/zinc/12/56/55/526125655.db2.gz ZBZNWEFGBJJUNB-DNVCBOLYSA-N 1 1 295.430 4.046 20 0 CIADMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCSC1 ZINC000278400889 526179750 /nfs/dbraw/zinc/17/97/50/526179750.db2.gz FXDLMXHBPPMXCP-NEPJUHHUSA-N 1 1 292.473 4.042 20 0 CIADMO CSc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000337248835 526193072 /nfs/dbraw/zinc/19/30/72/526193072.db2.gz IZDLNDGSQYXHNQ-LBPRGKRZSA-N 1 1 297.427 4.136 20 0 CIADMO FCCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000364891444 526282609 /nfs/dbraw/zinc/28/26/09/526282609.db2.gz BTGBAWVAUGLXQV-CYBMUJFWSA-N 1 1 278.396 4.183 20 0 CIADMO Fc1cc2cccnc2c(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC000353106690 526311480 /nfs/dbraw/zinc/31/14/80/526311480.db2.gz HPNGRGFTZJREON-UHFFFAOYSA-N 1 1 293.345 4.258 20 0 CIADMO Cc1csc(C2([NH2+]Cc3cccc(Cl)c3)CCC2)n1 ZINC000263902222 526325844 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526435499 /nfs/dbraw/zinc/43/54/99/526435499.db2.gz QLKPKGCAOSLNPU-ZDUSSCGKSA-N 1 1 274.433 4.426 20 0 CIADMO c1ccc([C@@H]2CCCCC[N@@H+]2Cc2cccnc2)cc1 ZINC000339293216 526490911 /nfs/dbraw/zinc/49/09/11/526490911.db2.gz KXCHVQHLIXNPCC-SFHVURJKSA-N 1 1 266.388 4.199 20 0 CIADMO c1ccc2c(c1)CCC[C@H]2[N@@H+](Cc1cccnc1)C1CC1 ZINC000157811944 526503295 /nfs/dbraw/zinc/50/32/95/526503295.db2.gz FGZOWIRMOIFXMR-LJQANCHMSA-N 1 1 278.399 4.124 20 0 CIADMO c1cncc([C@@H](Nc2cc(C3CC3)cc[nH+]2)C2CCC2)c1 ZINC000289574567 526547659 /nfs/dbraw/zinc/54/76/59/526547659.db2.gz ADIMNILQVMFGFG-SFHVURJKSA-N 1 1 279.387 4.307 20 0 CIADMO c1csc(C[NH2+]Cc2ccc(C3CCCC3)cc2)n1 ZINC000291221915 526581575 /nfs/dbraw/zinc/58/15/75/526581575.db2.gz OZMLYWCNBXZAHQ-UHFFFAOYSA-N 1 1 272.417 4.091 20 0 CIADMO Cc1nc(C(C)C)ccc1C[N@H+]1CCCc2occc2C1 ZINC000339205097 526667176 /nfs/dbraw/zinc/66/71/76/526667176.db2.gz MTXZUAOLCRSJHZ-UHFFFAOYSA-N 1 1 284.403 4.055 20 0 CIADMO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cccnc1 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RCSFGXCKZNSVDD-LBPRGKRZSA-N 1 1 254.443 4.197 20 0 CIADMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCCO2)cc1 ZINC000525122015 333399720 /nfs/dbraw/zinc/39/97/20/333399720.db2.gz PIAZAEFNBFTOST-ROUUACIJSA-N 1 1 273.420 4.091 20 0 CIADMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000525123074 333399942 /nfs/dbraw/zinc/39/99/42/333399942.db2.gz SSMOSTXUNKVRNM-QWHCGFSZSA-N 1 1 288.366 4.101 20 0 CIADMO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000397909120 333430732 /nfs/dbraw/zinc/43/07/32/333430732.db2.gz YCUVBFXRZCIPPS-LLVKDONJSA-N 1 1 284.359 4.142 20 0 CIADMO Fc1ccc(C2([NH2+]Cc3ncccc3Cl)CCC2)cc1 ZINC000528413908 333435093 /nfs/dbraw/zinc/43/50/93/333435093.db2.gz NGAOVYXFRCNEOF-UHFFFAOYSA-N 1 1 290.769 4.043 20 0 CIADMO Cc1cccc(C2([NH2+]Cc3ncccc3Cl)CCC2)c1 ZINC000528536833 333445459 /nfs/dbraw/zinc/44/54/59/333445459.db2.gz IBZHJDBJFVLBFQ-UHFFFAOYSA-N 1 1 286.806 4.212 20 0 CIADMO Cc1ccnc(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1 ZINC000528605919 333448948 /nfs/dbraw/zinc/44/89/48/333448948.db2.gz XYLFNTUVUMRYJQ-UHFFFAOYSA-N 1 1 297.427 4.025 20 0 CIADMO Cc1nc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)oc1C ZINC000528761873 333456001 /nfs/dbraw/zinc/45/60/01/333456001.db2.gz BEDNOAWDHISVFQ-QGZVFWFLSA-N 1 1 272.392 4.087 20 0 CIADMO CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2cc(C)ccc2C)o1 ZINC000528802132 333459052 /nfs/dbraw/zinc/45/90/52/333459052.db2.gz QYSLUNJJSSXQTD-ZFWWWQNUSA-N 1 1 287.407 4.051 20 0 CIADMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCSC2)CC1 ZINC000576028571 335143113 /nfs/dbraw/zinc/14/31/13/335143113.db2.gz LHJIWDUYJUYKNK-FUHWJXTLSA-N 1 1 289.488 4.183 20 0 CIADMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCSC2)CC1 ZINC000576028572 335143204 /nfs/dbraw/zinc/14/32/04/335143204.db2.gz LHJIWDUYJUYKNK-SJLPKXTDSA-N 1 1 289.488 4.183 20 0 CIADMO CSc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)s1 ZINC000576037530 335144199 /nfs/dbraw/zinc/14/41/99/335144199.db2.gz KQSIWMKPOUTJJR-MNOVXSKESA-N 1 1 255.452 4.090 20 0 CIADMO CSc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)s1 ZINC000576037531 335144328 /nfs/dbraw/zinc/14/43/28/335144328.db2.gz KQSIWMKPOUTJJR-QWRGUYRKSA-N 1 1 255.452 4.090 20 0 CIADMO CC(C)[C@H]1C[N@H+]([C@H](C)c2cccc(Cl)c2F)CCCO1 ZINC000576046174 335145488 /nfs/dbraw/zinc/14/54/88/335145488.db2.gz BRGXXJHDJIIAMV-IUODEOHRSA-N 1 1 299.817 4.287 20 0 CIADMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC000037487737 333533856 /nfs/dbraw/zinc/53/38/56/333533856.db2.gz GIJHZONYPMRNSZ-LLVKDONJSA-N 1 1 279.767 4.101 20 0 CIADMO Cc1ccccc1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000037487736 333533937 /nfs/dbraw/zinc/53/39/37/333533937.db2.gz DHZRDWKLUSCIOT-LJQANCHMSA-N 1 1 277.367 4.467 20 0 CIADMO CCc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000037771718 333538438 /nfs/dbraw/zinc/53/84/38/333538438.db2.gz AJGMGTQENKUQMY-GFCCVEGCSA-N 1 1 275.342 4.378 20 0 CIADMO Cc1[nH+]ccn1CCCCSc1cccc(C)c1 ZINC000124665549 333560779 /nfs/dbraw/zinc/56/07/79/333560779.db2.gz MWFDEZKRSIHGLI-UHFFFAOYSA-N 1 1 260.406 4.072 20 0 CIADMO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000576069638 335148821 /nfs/dbraw/zinc/14/88/21/335148821.db2.gz WAJMBCVNJCFZJV-HUUCEWRRSA-N 1 1 268.489 4.054 20 0 CIADMO CCCC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000576069636 335148889 /nfs/dbraw/zinc/14/88/89/335148889.db2.gz WAJMBCVNJCFZJV-CABCVRRESA-N 1 1 268.489 4.054 20 0 CIADMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1cc(F)ccc1F ZINC000538638883 333610448 /nfs/dbraw/zinc/61/04/48/333610448.db2.gz QEUHEYYTZYBGCU-JTQLQIEISA-N 1 1 287.313 4.025 20 0 CIADMO Cc1cccc([C@H]2CCCC[N@H+]2Cc2ccon2)c1C ZINC000174202347 335150507 /nfs/dbraw/zinc/15/05/07/335150507.db2.gz OSNOKFCTVVQXPN-QGZVFWFLSA-N 1 1 270.376 4.019 20 0 CIADMO CCc1ccc([C@H]([NH2+]Cc2nc(C)c(C)o2)C(C)C)cc1 ZINC000066411495 333622830 /nfs/dbraw/zinc/62/28/30/333622830.db2.gz VSTBVFWIRLTWOA-GOSISDBHSA-N 1 1 286.419 4.341 20 0 CIADMO CCc1cnc(C[NH2+][C@@H](c2ccccc2C)C(C)C)o1 ZINC000539261945 333663610 /nfs/dbraw/zinc/66/36/10/333663610.db2.gz ZXVVDDDHNNIXAF-QGZVFWFLSA-N 1 1 272.392 4.032 20 0 CIADMO Cc1cnc([C@@H](C)[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)o1 ZINC000539422259 333670759 /nfs/dbraw/zinc/67/07/59/333670759.db2.gz CZQDUDPDMKJJOM-WBMJQRKESA-N 1 1 288.366 4.232 20 0 CIADMO Cc1cc[nH+]c(N[C@H](c2ccc(F)c(C)c2)C2CC2)c1 ZINC000539610224 333681171 /nfs/dbraw/zinc/68/11/71/333681171.db2.gz YXFRHLDDYUEOIE-KRWDZBQOSA-N 1 1 270.351 4.401 20 0 CIADMO CCC(CC)[C@@H]([NH2+]Cc1ncc(C)cn1)c1ccccc1 ZINC000540352545 333726913 /nfs/dbraw/zinc/72/69/13/333726913.db2.gz PAOIKOSNSNVYOJ-GOSISDBHSA-N 1 1 283.419 4.052 20 0 CIADMO Fc1ccc2c(c1)[C@@H](Nc1cccc3cc[nH+]cc31)CC2 ZINC000540827104 333748818 /nfs/dbraw/zinc/74/88/18/333748818.db2.gz SPUVIPKLANWDDP-SFHVURJKSA-N 1 1 278.330 4.473 20 0 CIADMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(Cl)s1 ZINC000540838493 333749746 /nfs/dbraw/zinc/74/97/46/333749746.db2.gz RRFFRKLYAYDJTI-VIFPVBQESA-N 1 1 291.807 4.461 20 0 CIADMO CCCc1nc(C[NH2+][C@@H](c2cccs2)C2CC2)cs1 ZINC000541081792 333761772 /nfs/dbraw/zinc/76/17/72/333761772.db2.gz MLKNWJNJLKBMIL-OAHLLOKOSA-N 1 1 292.473 4.398 20 0 CIADMO CCC(CC)n1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)n1 ZINC000069993451 333796509 /nfs/dbraw/zinc/79/65/09/333796509.db2.gz MWBLBGAQAIAHID-OAHLLOKOSA-N 1 1 285.435 4.403 20 0 CIADMO CC(C)c1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1 ZINC000070423022 333809982 /nfs/dbraw/zinc/80/99/82/333809982.db2.gz WKZPVSKCUUFVLQ-UHFFFAOYSA-N 1 1 268.282 4.074 20 0 CIADMO CCCc1[nH+]ccn1Cc1c(Cl)cccc1Cl ZINC000070424369 333810024 /nfs/dbraw/zinc/81/00/24/333810024.db2.gz FGQWLNGSCKWJLC-UHFFFAOYSA-N 1 1 269.175 4.191 20 0 CIADMO CC[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000542627436 333833915 /nfs/dbraw/zinc/83/39/15/333833915.db2.gz JEGHRXHYVHMZSJ-UHFFFAOYSA-N 1 1 291.439 4.276 20 0 CIADMO COc1cccc([C@H](C)Nc2cccc3cc[nH+]cc32)c1 ZINC000131434630 333938698 /nfs/dbraw/zinc/93/86/98/333938698.db2.gz MWEASMHOLAMRMH-ZDUSSCGKSA-N 1 1 278.355 4.417 20 0 CIADMO CSC1(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000576194059 335167352 /nfs/dbraw/zinc/16/73/52/335167352.db2.gz RUFRJUZAWMSLFS-ZBTGYSDGSA-N 1 1 273.445 4.060 20 0 CIADMO C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000564294297 334000887 /nfs/dbraw/zinc/00/08/87/334000887.db2.gz SWDXHLPIUJOFGC-YOEHRIQHSA-N 1 1 284.378 4.161 20 0 CIADMO C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000564294295 334000953 /nfs/dbraw/zinc/00/09/53/334000953.db2.gz SWDXHLPIUJOFGC-RHSMWYFYSA-N 1 1 284.378 4.161 20 0 CIADMO COCCCC[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000074350458 334004367 /nfs/dbraw/zinc/00/43/67/334004367.db2.gz SOXFRUHAMVNZTE-ZDUSSCGKSA-N 1 1 281.827 4.292 20 0 CIADMO CCc1nc(C[N@@H+]2CCCC[C@H]2c2ccccc2)cs1 ZINC000545985132 334010608 /nfs/dbraw/zinc/01/06/08/334010608.db2.gz FFXOJYOLXAHRFB-INIZCTEOSA-N 1 1 286.444 4.433 20 0 CIADMO CCc1nc(C[N@H+]2CCCC[C@H]2c2ccccc2)cs1 ZINC000545985132 334010609 /nfs/dbraw/zinc/01/06/09/334010609.db2.gz FFXOJYOLXAHRFB-INIZCTEOSA-N 1 1 286.444 4.433 20 0 CIADMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)nc1 ZINC000545985346 334010682 /nfs/dbraw/zinc/01/06/82/334010682.db2.gz DCKOFMBPRLFEPT-GOSISDBHSA-N 1 1 266.388 4.117 20 0 CIADMO COc1ccsc1[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000546019457 334012811 /nfs/dbraw/zinc/01/28/11/334012811.db2.gz ATNFLFPYCDHEKX-GVXVVHGQSA-N 1 1 291.416 4.324 20 0 CIADMO CC[C@@H](CSC)[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000546029587 334013605 /nfs/dbraw/zinc/01/36/05/334013605.db2.gz VCUZOPZOPHBDAW-BPCQOVAHSA-N 1 1 297.430 4.429 20 0 CIADMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000546123910 334015642 /nfs/dbraw/zinc/01/56/42/334015642.db2.gz DARAKGWYCPVCDS-UONOGXRCSA-N 1 1 299.418 4.166 20 0 CIADMO C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)CC1(C)C ZINC000546118617 334015778 /nfs/dbraw/zinc/01/57/78/334015778.db2.gz DRAUYRWJNXFCJW-GFCCVEGCSA-N 1 1 290.432 4.271 20 0 CIADMO CCC[N@@H+](Cc1cnc(-c2ccsc2)s1)C1CC1 ZINC000133240868 334030046 /nfs/dbraw/zinc/03/00/46/334030046.db2.gz IZWYLJYJLWZGHG-UHFFFAOYSA-N 1 1 278.446 4.246 20 0 CIADMO Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000546691215 334046153 /nfs/dbraw/zinc/04/61/53/334046153.db2.gz VDMAADBSWLIOPE-GOSISDBHSA-N 1 1 297.446 4.070 20 0 CIADMO Cc1ncsc1C[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000546691898 334046492 /nfs/dbraw/zinc/04/64/92/334046492.db2.gz ATCHRAKQLHFFJU-XJKSGUPXSA-N 1 1 286.444 4.220 20 0 CIADMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCc2ccccn2)C2CC2)o1 ZINC000075700579 334049230 /nfs/dbraw/zinc/04/92/30/334049230.db2.gz HTYGOPLGYLVFPU-KSSFIOAISA-N 1 1 296.414 4.005 20 0 CIADMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccncc1Cl ZINC000075745768 334049953 /nfs/dbraw/zinc/04/99/53/334049953.db2.gz MDTOOOOHBLARBO-CJNGLKHVSA-N 1 1 286.806 4.113 20 0 CIADMO Cc1ccc[nH+]c1NCc1ccccc1OC1CCCC1 ZINC000546763382 334050120 /nfs/dbraw/zinc/05/01/20/334050120.db2.gz JYINSUCVZYFWLY-UHFFFAOYSA-N 1 1 282.387 4.324 20 0 CIADMO Cc1nc(C(F)(F)F)c(C[N@H+](CC(C)C)C(C)C)s1 ZINC000546808027 334050989 /nfs/dbraw/zinc/05/09/89/334050989.db2.gz DGEKVHCDGWNNLJ-UHFFFAOYSA-N 1 1 294.386 4.337 20 0 CIADMO COCCCCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000075842763 334054496 /nfs/dbraw/zinc/05/44/96/334054496.db2.gz ZIRSNFLPCIVJBQ-WMLDXEAASA-N 1 1 279.399 4.025 20 0 CIADMO CCO[C@H](C)c1nc(C[N@H+](C)CCC2CCCC2)cs1 ZINC000075888060 334057482 /nfs/dbraw/zinc/05/74/82/334057482.db2.gz AGAKSQSOLCUGGT-CYBMUJFWSA-N 1 1 296.480 4.253 20 0 CIADMO CCO[C@H](C)c1nc(C[N@@H+](C)CCC2CCCC2)cs1 ZINC000075888060 334057483 /nfs/dbraw/zinc/05/74/83/334057483.db2.gz AGAKSQSOLCUGGT-CYBMUJFWSA-N 1 1 296.480 4.253 20 0 CIADMO COCCCCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000075900166 334058129 /nfs/dbraw/zinc/05/81/29/334058129.db2.gz GFVXMUOKKFXYRR-WMLDXEAASA-N 1 1 279.399 4.025 20 0 CIADMO Cc1ncc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)s1 ZINC000075901009 334058135 /nfs/dbraw/zinc/05/81/35/334058135.db2.gz QQEZROIDMNCDSE-MEDUHNTESA-N 1 1 290.407 4.174 20 0 CIADMO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccoc1 ZINC000133942551 334074000 /nfs/dbraw/zinc/07/40/00/334074000.db2.gz 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CCC[N@@H+](Cc1ncc(C)s1)Cc1ccc(C)cc1 ZINC000552812210 334345980 /nfs/dbraw/zinc/34/59/80/334345980.db2.gz ZKMXUNVPRRWBCC-UHFFFAOYSA-N 1 1 274.433 4.172 20 0 CIADMO CC(C)(C)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250599035 334346868 /nfs/dbraw/zinc/34/68/68/334346868.db2.gz WICZDBCPYNMZAA-SJORKVTESA-N 1 1 272.436 4.023 20 0 CIADMO Cc1nc([C@H](C)[NH2+]Cc2ccc3ccccc3c2)cs1 ZINC000552882801 334349397 /nfs/dbraw/zinc/34/93/97/334349397.db2.gz AHNSQQPDRLPLJA-LBPRGKRZSA-N 1 1 282.412 4.456 20 0 CIADMO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)o1 ZINC000090027342 334355884 /nfs/dbraw/zinc/35/58/84/334355884.db2.gz JVHCZAGFTDORQR-AWEZNQCLSA-N 1 1 285.387 4.370 20 0 CIADMO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000251077589 334356013 /nfs/dbraw/zinc/35/60/13/334356013.db2.gz KVXTTYCNOPMROU-IKGGRYGDSA-N 1 1 292.854 4.008 20 0 CIADMO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000251077589 334356014 /nfs/dbraw/zinc/35/60/14/334356014.db2.gz KVXTTYCNOPMROU-IKGGRYGDSA-N 1 1 292.854 4.008 20 0 CIADMO Cc1cc([C@H](C)[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c(C)o1 ZINC000251084427 334356212 /nfs/dbraw/zinc/35/62/12/334356212.db2.gz RRFCAXYRYSYYJW-IFUGULHKSA-N 1 1 273.376 4.464 20 0 CIADMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000090532487 334362794 /nfs/dbraw/zinc/36/27/94/334362794.db2.gz OIPZDVGRIXRELQ-DZGCQCFKSA-N 1 1 293.414 4.153 20 0 CIADMO Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c(C)c1 ZINC000090546954 334363170 /nfs/dbraw/zinc/36/31/70/334363170.db2.gz CQDLUUDNAPVDEC-MRXNPFEDSA-N 1 1 297.446 4.466 20 0 CIADMO Cc1csc(C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)n1 ZINC000553394158 334382531 /nfs/dbraw/zinc/38/25/31/334382531.db2.gz HOZARZJYVTYWOR-HNNXBMFYSA-N 1 1 292.423 4.468 20 0 CIADMO Cc1ccsc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000091901617 334385814 /nfs/dbraw/zinc/38/58/14/334385814.db2.gz MALFTNBJRPGFHM-UHFFFAOYSA-N 1 1 277.355 4.221 20 0 CIADMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000553499412 334388768 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ZINC000178915692 333078404 /nfs/dbraw/zinc/07/84/04/333078404.db2.gz GCGPATLELOTTCJ-OAHLLOKOSA-N 1 1 290.407 4.100 20 0 CIADMO Clc1ccc(CNc2cc[nH+]cc2Cl)s1 ZINC000086831210 333079924 /nfs/dbraw/zinc/07/99/24/333079924.db2.gz ADLNSFFMVVGAGJ-UHFFFAOYSA-N 1 1 259.161 4.062 20 0 CIADMO CC(C)OCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000516745131 333081485 /nfs/dbraw/zinc/08/14/85/333081485.db2.gz NGOXEALETGQLPU-UHFFFAOYSA-N 1 1 283.415 4.229 20 0 CIADMO Cc1cc(C)cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000516737418 333081609 /nfs/dbraw/zinc/08/16/09/333081609.db2.gz YOFDNHNOGAGGIT-LJQANCHMSA-N 1 1 299.414 4.078 20 0 CIADMO Cc1cccc([C@H](C)[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000516846505 333084076 /nfs/dbraw/zinc/08/40/76/333084076.db2.gz GOGODNICTMBCFR-AWEZNQCLSA-N 1 1 285.435 4.209 20 0 CIADMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000516894875 333085620 /nfs/dbraw/zinc/08/56/20/333085620.db2.gz WMCMPADFRLITPL-HNAYVOBHSA-N 1 1 298.405 4.379 20 0 CIADMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)s2)C1 ZINC000088707745 333090916 /nfs/dbraw/zinc/09/09/16/333090916.db2.gz ZPYHBUQUCIGTMN-NXEZZACHSA-N 1 1 288.254 4.131 20 0 CIADMO Cc1ccc([C@@H](C)[NH2+]Cc2csc(C3CC3)n2)cc1F ZINC000088765937 333091781 /nfs/dbraw/zinc/09/17/81/333091781.db2.gz GDNZRRNTRKMXGC-LLVKDONJSA-N 1 1 290.407 4.319 20 0 CIADMO FC(F)(F)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000517070368 333091899 /nfs/dbraw/zinc/09/18/99/333091899.db2.gz ZOWMINMZEANXON-NWANDNLSSA-N 1 1 283.337 4.064 20 0 CIADMO Cc1ccc(C)c(C[N@@H+](C)Cc2cnc(C3CC3)s2)c1 ZINC000517067980 333091938 /nfs/dbraw/zinc/09/19/38/333091938.db2.gz IZVTUQSOJKOOSI-UHFFFAOYSA-N 1 1 286.444 4.269 20 0 CIADMO CC[C@H](C)[C@H](C)[N@@H+](Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000517132898 333093106 /nfs/dbraw/zinc/09/31/06/333093106.db2.gz AXOJXSPFPMWEQX-KBPBESRZSA-N 1 1 299.418 4.136 20 0 CIADMO CCC[N@@H+](Cc1ncc(CC)o1)[C@@H]1CCc2ccccc2C1 ZINC000517214499 333094885 /nfs/dbraw/zinc/09/48/85/333094885.db2.gz 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CC[C@@H]([NH2+][C@H](C)c1csc(C(C)C)n1)c1ccncc1 ZINC000186356058 333159221 /nfs/dbraw/zinc/15/92/21/333159221.db2.gz IENFWRXLNNBTCN-TZMCWYRMSA-N 1 1 289.448 4.463 20 0 CIADMO CC[C@H]([NH2+][C@@H](C)c1csc(C(C)C)n1)c1ccncc1 ZINC000186356007 333159237 /nfs/dbraw/zinc/15/92/37/333159237.db2.gz IENFWRXLNNBTCN-JSGCOSHPSA-N 1 1 289.448 4.463 20 0 CIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000186411324 333160265 /nfs/dbraw/zinc/16/02/65/333160265.db2.gz AOVFMWRGKVJLNZ-GWKPYITFSA-N 1 1 296.389 4.317 20 0 CIADMO CC[C@@H](C[N@@H+](CC)Cc1c(C)noc1C)c1ccccc1 ZINC000186605968 333163434 /nfs/dbraw/zinc/16/34/34/333163434.db2.gz LMYCLECUHORGOM-INIZCTEOSA-N 1 1 286.419 4.307 20 0 CIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1ccccn1 ZINC000187470329 333171367 /nfs/dbraw/zinc/17/13/67/333171367.db2.gz MPYBWZXCTLFDOA-WDEREUQCSA-N 1 1 278.758 4.286 20 0 CIADMO CC(C)COC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccco1 ZINC000152577286 333183598 /nfs/dbraw/zinc/18/35/98/333183598.db2.gz 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