smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc([C@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)n1 ZINC000092788362 185341122 /nfs/dbraw/zinc/34/11/22/185341122.db2.gz DXBWWSBZQMAPQR-ZDUSSCGKSA-N 1 1 319.499 4.165 50 0 DIAAMO Cc1ccc([C@H](c2ccccn2)[N@H+](C)Cc2cccnc2)cc1 ZINC000095431941 185363626 /nfs/dbraw/zinc/36/36/26/185363626.db2.gz GMLAAMYRMIRJMU-HXUWFJFHSA-N 1 1 303.409 4.006 50 0 DIAAMO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)Cc2cccnc2)cc1 ZINC000095431941 185363627 /nfs/dbraw/zinc/36/36/27/185363627.db2.gz GMLAAMYRMIRJMU-HXUWFJFHSA-N 1 1 303.409 4.006 50 0 DIAAMO COCCC[N@@H+](C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000095455994 185370089 /nfs/dbraw/zinc/37/00/89/185370089.db2.gz YXLKPRSFIFOBIH-MRXNPFEDSA-N 1 1 323.440 4.055 50 0 DIAAMO COC[C@@H]([NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 ZINC000097017188 185397643 /nfs/dbraw/zinc/39/76/43/185397643.db2.gz QDQIJUZWMADYLC-WCQYABFASA-N 1 1 322.474 4.380 50 0 DIAAMO Cc1ccc(-c2ncc(C[N@@H+](C)[C@H](C)c3cccnc3)s2)o1 ZINC000170594871 197781788 /nfs/dbraw/zinc/78/17/88/197781788.db2.gz UTRSANVIYWDYJO-CYBMUJFWSA-N 1 1 313.426 4.300 50 0 DIAAMO Cc1ccc(-c2ncc(C[N@H+](C)[C@H](C)c3cccnc3)s2)o1 ZINC000170594871 197781789 /nfs/dbraw/zinc/78/17/89/197781789.db2.gz UTRSANVIYWDYJO-CYBMUJFWSA-N 1 1 313.426 4.300 50 0 DIAAMO Fc1ccc(CC[C@@H]2CCC[N@@H+](CCc3ccccn3)C2)cc1 ZINC000072121785 191039803 /nfs/dbraw/zinc/03/98/03/191039803.db2.gz VJVKFAVFQLEPAZ-SFHVURJKSA-N 1 1 312.432 4.108 50 0 DIAAMO c1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3c3ccccn3)c2)nc1 ZINC000072144305 191051662 /nfs/dbraw/zinc/05/16/62/191051662.db2.gz FXNOQZBISJEMPZ-OAQYLSRUSA-N 1 1 315.420 4.481 50 0 DIAAMO CCn1nc(C)c(C[N@H+]2CCCCC[C@H]2c2ccco2)c1C ZINC000072146697 191052884 /nfs/dbraw/zinc/05/28/84/191052884.db2.gz SMOTVPPZIYHGQF-KRWDZBQOSA-N 1 1 301.434 4.230 50 0 DIAAMO c1coc(-c2ncc(C[N@H+]3CCCCC[C@H]3c3ccco3)cn2)c1 ZINC000072151947 191058397 /nfs/dbraw/zinc/05/83/97/191058397.db2.gz KNVDOFJMSFBVMR-INIZCTEOSA-N 1 1 323.396 4.447 50 0 DIAAMO Fc1ccccc1CC[C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000072154282 191059606 /nfs/dbraw/zinc/05/96/06/191059606.db2.gz PRBKIVVMZAJARB-QGZVFWFLSA-N 1 1 312.432 4.108 50 0 DIAAMO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000253392350 186302816 /nfs/dbraw/zinc/30/28/16/186302816.db2.gz GNYOEYRLBWPPSI-CHWSQXEVSA-N 1 1 303.475 4.457 50 0 DIAAMO Cc1cc(Nc2ccccc2Sc2ccccc2)nc(N)[nH+]1 ZINC000072437827 191166572 /nfs/dbraw/zinc/16/65/72/191166572.db2.gz XCCDWUDTBJAMAR-UHFFFAOYSA-N 1 1 308.410 4.262 50 0 DIAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072481186 191181698 /nfs/dbraw/zinc/18/16/98/191181698.db2.gz ZKZMSIPXABNGQG-LLVKDONJSA-N 1 1 317.339 4.141 50 0 DIAAMO C[C@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl ZINC000003904945 181055177 /nfs/dbraw/zinc/05/51/77/181055177.db2.gz UZHMQBMKYWOFAJ-HZSPNIEDSA-N 1 1 309.837 4.148 50 0 DIAAMO Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C ZINC000004029244 181064230 /nfs/dbraw/zinc/06/42/30/181064230.db2.gz OGQXSBVMESXCLJ-PKOBYXMFSA-N 1 1 315.457 4.033 50 0 biogenic DIAAMO CSC1=[NH+]C(C)(C)C=C(C=Cc2ccc(F)cc2Cl)N1 ZINC000004039834 181065704 /nfs/dbraw/zinc/06/57/04/181065704.db2.gz JXZAKXRFKDMKAG-FNORWQNLSA-N 1 1 310.825 4.477 50 0 DIAAMO C[C@@H]1C[C@@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)C[N@H+]1C ZINC000004011834 181061992 /nfs/dbraw/zinc/06/19/92/181061992.db2.gz ADUJECNUNSENPU-LZJOCLMNSA-N 1 1 323.436 4.099 50 0 DIAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(Cl)cc2)cc1OC ZINC000004575482 181125861 /nfs/dbraw/zinc/12/58/61/181125861.db2.gz DSGXQCVZZSLJAB-UHFFFAOYSA-N 1 1 319.832 4.032 50 0 DIAAMO C/C=C/c1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000004907543 181171374 /nfs/dbraw/zinc/17/13/74/181171374.db2.gz PZSOOIFECZNCKM-IEXSPKMKSA-N 1 1 303.446 4.229 50 0 DIAAMO CC(=O)c1ccccc1OCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004869881 181166352 /nfs/dbraw/zinc/16/63/52/181166352.db2.gz AKHCKIKZYYLORN-IYBDPMFKSA-N 1 1 303.446 4.026 50 0 DIAAMO C[N@@H+](CCOc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000004913013 181172151 /nfs/dbraw/zinc/17/21/51/181172151.db2.gz WLZXVTQJXVOGAD-UHFFFAOYSA-N 1 1 309.331 4.216 50 0 DIAAMO Fc1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)cc1Cl ZINC000004942972 181176898 /nfs/dbraw/zinc/17/68/98/181176898.db2.gz DWPARUJIEDFBEV-UHFFFAOYSA-N 1 1 316.763 4.424 50 0 DIAAMO Clc1cnccc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964618 191542061 /nfs/dbraw/zinc/54/20/61/191542061.db2.gz ZAKYCCAESPTJEA-CQSZACIVSA-N 1 1 318.873 4.349 50 0 DIAAMO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccn1 ZINC000006701590 181373502 /nfs/dbraw/zinc/37/35/02/181373502.db2.gz OXCQBTIMZPAJTR-UHFFFAOYSA-N 1 1 311.212 4.077 50 0 DIAAMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1F)c1cnccn1 ZINC000095968326 193465378 /nfs/dbraw/zinc/46/53/78/193465378.db2.gz AOWTZTFLDZAIAK-BEFAXECRSA-N 1 1 321.399 4.250 50 0 DIAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)c1c(C)[nH]c2ccccc21 ZINC000014241368 181941789 /nfs/dbraw/zinc/94/17/89/181941789.db2.gz JMCAYKHMGNWNNA-CYBMUJFWSA-N 1 1 322.408 4.018 50 0 DIAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000015440980 182002300 /nfs/dbraw/zinc/00/23/00/182002300.db2.gz ZMMDHGFOYNDDDR-OAHLLOKOSA-N 1 1 314.404 4.074 50 0 DIAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000015440980 182002301 /nfs/dbraw/zinc/00/23/01/182002301.db2.gz ZMMDHGFOYNDDDR-OAHLLOKOSA-N 1 1 314.404 4.074 50 0 DIAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3C)c(C)o2)c(F)c1 ZINC000019111066 182104739 /nfs/dbraw/zinc/10/47/39/182104739.db2.gz LVHPSMPBWGAMAQ-GFCCVEGCSA-N 1 1 318.392 4.172 50 0 DIAAMO CCCN1CCC([N@H+](C)Cc2cc3ccccc3s2)CC1 ZINC000019223112 182108128 /nfs/dbraw/zinc/10/81/28/182108128.db2.gz ODOOHVAKBVXKIZ-UHFFFAOYSA-N 1 1 302.487 4.208 50 0 DIAAMO CCCN1CCC([N@@H+](C)Cc2cc3ccccc3s2)CC1 ZINC000019223112 182108130 /nfs/dbraw/zinc/10/81/30/182108130.db2.gz ODOOHVAKBVXKIZ-UHFFFAOYSA-N 1 1 302.487 4.208 50 0 DIAAMO CCC[NH+]1CCC(N(C)Cc2cc3ccccc3s2)CC1 ZINC000019223112 182108131 /nfs/dbraw/zinc/10/81/31/182108131.db2.gz ODOOHVAKBVXKIZ-UHFFFAOYSA-N 1 1 302.487 4.208 50 0 DIAAMO C/C=C/c1ccc(OCC[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000019815396 182153470 /nfs/dbraw/zinc/15/34/70/182153470.db2.gz BHHYEQITHTZKMR-ZZXKWVIFSA-N 1 1 323.436 4.165 50 0 DIAAMO CCCCCn1c2ccccc2n(CCOc2ccccc2)c1=[NH2+] ZINC000019900369 182161493 /nfs/dbraw/zinc/16/14/93/182161493.db2.gz NOERJGNUWOHOTO-UHFFFAOYSA-N 1 1 323.440 4.191 50 0 DIAAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000021720834 182285817 /nfs/dbraw/zinc/28/58/17/182285817.db2.gz APKAYAOPYSPBCR-AWEZNQCLSA-N 1 1 306.356 4.161 50 0 DIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000021720834 182285820 /nfs/dbraw/zinc/28/58/20/182285820.db2.gz APKAYAOPYSPBCR-AWEZNQCLSA-N 1 1 306.356 4.161 50 0 DIAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000021720432 182285979 /nfs/dbraw/zinc/28/59/79/182285979.db2.gz JBIFOASYEGAOIG-MRXNPFEDSA-N 1 1 300.402 4.027 50 0 DIAAMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccccc1 ZINC000023280426 182355657 /nfs/dbraw/zinc/35/56/57/182355657.db2.gz ZLYXYVVOVYERBM-MRXNPFEDSA-N 1 1 310.224 4.159 50 0 DIAAMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000040007511 183027188 /nfs/dbraw/zinc/02/71/88/183027188.db2.gz AMYBBCNNBSWYLN-CYBMUJFWSA-N 1 1 303.377 4.036 50 0 DIAAMO CC[C@@H](C)C[N@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000039399679 183018898 /nfs/dbraw/zinc/01/88/98/183018898.db2.gz GFIHLSCKPHFVKK-CRAIPNDOSA-N 1 1 305.462 4.007 50 0 DIAAMO COC(=O)c1oc(C[N@H+]2CCC[C@H]2c2ccccc2C)cc1C ZINC000040153676 183040557 /nfs/dbraw/zinc/04/05/57/183040557.db2.gz AONSGHUSWDDFPH-KRWDZBQOSA-N 1 1 313.397 4.020 50 0 DIAAMO Cc1ccc2c(C[N@@H+](C)Cc3cccs3)cc(=O)oc2c1C ZINC000057024649 184024823 /nfs/dbraw/zinc/02/48/23/184024823.db2.gz YPBDKENKJHJLDT-UHFFFAOYSA-N 1 1 313.422 4.103 50 0 DIAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3cccs3)c2cc1C ZINC000057024650 184024888 /nfs/dbraw/zinc/02/48/88/184024888.db2.gz MXWMMWVGNNMBFC-UHFFFAOYSA-N 1 1 313.422 4.103 50 0 DIAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1cccc(C)c1 ZINC000058017360 184067740 /nfs/dbraw/zinc/06/77/40/184067740.db2.gz DSWJNGNARUPDDL-UHFFFAOYSA-N 1 1 319.452 4.430 50 0 DIAAMO c1cc([C@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)cs1 ZINC000058162871 184083347 /nfs/dbraw/zinc/08/33/47/184083347.db2.gz JIUYFLNNCJJZHJ-GOSISDBHSA-N 1 1 309.438 4.271 50 0 DIAAMO c1cc([C@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)cs1 ZINC000058162871 184083348 /nfs/dbraw/zinc/08/33/48/184083348.db2.gz JIUYFLNNCJJZHJ-GOSISDBHSA-N 1 1 309.438 4.271 50 0 DIAAMO Cc1[nH+]ccn1-c1ccc(CNc2nc3ccccc3o2)cc1F ZINC000058413084 184114950 /nfs/dbraw/zinc/11/49/50/184114950.db2.gz LCXDUXAISGDSOQ-UHFFFAOYSA-N 1 1 322.343 4.073 50 0 DIAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1Cn1cc[nH+]c1C ZINC000067934096 184491337 /nfs/dbraw/zinc/49/13/37/184491337.db2.gz VNZLEZFCAKORAS-UHFFFAOYSA-N 1 1 321.302 4.222 50 0 DIAAMO Cc1cccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000244647026 257259477 /nfs/dbraw/zinc/25/94/77/257259477.db2.gz GTOXLWVKYOYTEF-SFTDATJTSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1cccc(C[N@@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000244647026 257259479 /nfs/dbraw/zinc/25/94/79/257259479.db2.gz GTOXLWVKYOYTEF-SFTDATJTSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1cccc(C[N@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000244647026 257259480 /nfs/dbraw/zinc/25/94/80/257259480.db2.gz GTOXLWVKYOYTEF-SFTDATJTSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1coc(C)c1C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000285327655 131158189 /nfs/dbraw/zinc/15/81/89/131158189.db2.gz QLZUNLUCYYCZMV-UHFFFAOYSA-N 1 1 312.413 4.120 50 0 DIAAMO C[C@@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000508699458 340250951 /nfs/dbraw/zinc/25/09/51/340250951.db2.gz RESUTTWFXRXMTK-DBXWQHBBSA-N 1 1 308.469 4.248 50 0 DIAAMO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000508699460 340251002 /nfs/dbraw/zinc/25/10/02/340251002.db2.gz RESUTTWFXRXMTK-LVCYWYKZSA-N 1 1 308.469 4.248 50 0 DIAAMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)c1 ZINC000137082278 341272276 /nfs/dbraw/zinc/27/22/76/341272276.db2.gz WKCACTGZWZEHND-GOSISDBHSA-N 1 1 315.413 4.162 50 0 DIAAMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)s1 ZINC000170060220 563903285 /nfs/dbraw/zinc/90/32/85/563903285.db2.gz QKTCBUHODUGECC-IERDGZPVSA-N 1 1 319.495 4.131 50 0 DIAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC1CCCCC1 ZINC000078729261 563929892 /nfs/dbraw/zinc/92/98/92/563929892.db2.gz CJJVZLXEDVSBNK-UHFFFAOYSA-N 1 1 302.462 4.144 50 0 DIAAMO Cc1nc2c(s1)[C@H]([N@H+](C)CCO[C@@H]1CCCC[C@H]1C)CCC2 ZINC000230210240 563942148 /nfs/dbraw/zinc/94/21/48/563942148.db2.gz LLVBLQHSAUHJHY-KBRIMQKVSA-N 1 1 322.518 4.356 50 0 DIAAMO Cc1cccc(Cl)c1NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000001590481 563287061 /nfs/dbraw/zinc/28/70/61/563287061.db2.gz YRTDJKXWYAIZIJ-AWEZNQCLSA-N 1 1 323.868 4.034 50 0 DIAAMO Clc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543297 563476088 /nfs/dbraw/zinc/47/60/88/563476088.db2.gz NRUGHPPPRHEEFU-UHFFFAOYSA-N 1 1 321.251 4.316 50 0 DIAAMO CC[N@@H+]1CCn2c3ccc(Br)cc3c3c2[C@@H]1CCC3 ZINC000000074813 563213606 /nfs/dbraw/zinc/21/36/06/563213606.db2.gz VRTKXFMWBVSAET-HNNXBMFYSA-N 1 1 319.246 4.117 50 0 DIAAMO CC[N@H+]1CCn2c3ccc(Br)cc3c3c2[C@@H]1CCC3 ZINC000000074813 563213609 /nfs/dbraw/zinc/21/36/09/563213609.db2.gz VRTKXFMWBVSAET-HNNXBMFYSA-N 1 1 319.246 4.117 50 0 DIAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000216281 563230866 /nfs/dbraw/zinc/23/08/66/563230866.db2.gz KQJYYDZPYZELJD-MRXNPFEDSA-N 1 1 324.424 4.292 50 0 DIAAMO CCOC(=O)[C@H]1CCCC[N@H+]1C1CCC(c2ccccc2)CC1 ZINC000000280160 563235123 /nfs/dbraw/zinc/23/51/23/563235123.db2.gz UQNZQQKNENFRRR-CTWPCTMYSA-N 1 1 315.457 4.130 50 0 DIAAMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000000309162 563239141 /nfs/dbraw/zinc/23/91/41/563239141.db2.gz UUDLUCKIEGFRRV-IBGZPJMESA-N 1 1 322.452 4.154 50 0 DIAAMO C[C@H](C[N@@H+]1CC=CCC1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000002168195 563300741 /nfs/dbraw/zinc/30/07/41/563300741.db2.gz JRLONDNYHCBKKH-KNQAVFIVSA-N 1 1 321.464 4.015 50 0 DIAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1cc(F)cc(Cl)c1 ZINC000002515413 563305749 /nfs/dbraw/zinc/30/57/49/563305749.db2.gz AOLRLNQNNYUKCD-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1ccc(F)c(Cl)c1 ZINC000002515405 563305909 /nfs/dbraw/zinc/30/59/09/563305909.db2.gz JIKPOGKTUAGJKZ-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO Cc1ccc2c(=O)c(C[N@@H+](C)Cc3ccccc3)c(C)[nH]c2c1C ZINC000008572572 563347712 /nfs/dbraw/zinc/34/77/12/563347712.db2.gz GIICJDFUHCPBLK-UHFFFAOYSA-N 1 1 320.436 4.498 50 0 DIAAMO Fc1ccc(CC[C@@H]2CCC[N@@H+](Cc3nccs3)C2)cc1F ZINC000012052844 563361034 /nfs/dbraw/zinc/36/10/34/563361034.db2.gz YDBJTURQUZGRCI-AWEZNQCLSA-N 1 1 322.424 4.266 50 0 DIAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000012299220 563365372 /nfs/dbraw/zinc/36/53/72/563365372.db2.gz JRFAMGGBMCJQTD-HNNXBMFYSA-N 1 1 317.429 4.291 50 0 DIAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000012299220 563365375 /nfs/dbraw/zinc/36/53/75/563365375.db2.gz JRFAMGGBMCJQTD-HNNXBMFYSA-N 1 1 317.429 4.291 50 0 DIAAMO Fc1cccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1F ZINC000012304458 563366461 /nfs/dbraw/zinc/36/64/61/563366461.db2.gz SSGBKOJNBCAZLE-MRXNPFEDSA-N 1 1 302.368 4.041 50 0 DIAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000012475332 563370957 /nfs/dbraw/zinc/37/09/57/563370957.db2.gz BDLOLCFBINXMFP-AWEZNQCLSA-N 1 1 305.487 4.349 50 0 DIAAMO C[C@@H](NC(=O)C[N@@H+](C)C1CCC(C)CC1)c1ccccc1Cl ZINC000032751523 563389954 /nfs/dbraw/zinc/38/99/54/563389954.db2.gz RROJKFXPLIZYCS-SHARSMKWSA-N 1 1 322.880 4.028 50 0 DIAAMO C[C@@H](C1CC1)[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000032814810 563398811 /nfs/dbraw/zinc/39/88/11/563398811.db2.gz GTFWJJBJMZEYQK-LBPRGKRZSA-N 1 1 300.377 4.244 50 0 DIAAMO c1ccc(C[N@@H+](Cc2nc(-c3ccccc3)no2)CC2CC2)cc1 ZINC000014963134 563404247 /nfs/dbraw/zinc/40/42/47/563404247.db2.gz AILORWSQFOKOBN-UHFFFAOYSA-N 1 1 319.408 4.149 50 0 DIAAMO c1ccc(C[N@H+](Cc2nc(-c3ccccc3)no2)CC2CC2)cc1 ZINC000014963134 563404253 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CCc1nc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cs1 ZINC000089289953 563883925 /nfs/dbraw/zinc/88/39/25/563883925.db2.gz OTBWOGJGMVGAJC-UHFFFAOYSA-N 1 1 317.845 4.197 50 0 DIAAMO CCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)Cc1ccccc1 ZINC000036097432 563892766 /nfs/dbraw/zinc/89/27/66/563892766.db2.gz PXKFWSJEHYMLMF-OAQYLSRUSA-N 1 1 311.469 4.119 50 0 DIAAMO CCC[C@H](O)C[N@@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101962 563893416 /nfs/dbraw/zinc/89/34/16/563893416.db2.gz KKDIXXFVPBXLIQ-FQEVSTJZSA-N 1 1 315.432 4.297 50 0 DIAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccccc2)s1 ZINC000036100921 563893845 /nfs/dbraw/zinc/89/38/45/563893845.db2.gz ZNGOGRBYNVWEIA-SFHVURJKSA-N 1 1 303.471 4.248 50 0 DIAAMO CC[C@H](C)[N@H+](Cc1ccccc1C)C[C@H](O)Cc1ccccc1 ZINC000036104514 563894209 /nfs/dbraw/zinc/89/42/09/563894209.db2.gz NSMKTUCXBGRVII-GHTZIAJQSA-N 1 1 311.469 4.199 50 0 DIAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000007420724 563906210 /nfs/dbraw/zinc/90/62/10/563906210.db2.gz IAANOABPNAFBPR-AWEZNQCLSA-N 1 1 316.832 4.107 50 0 DIAAMO CCCCc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)n1 ZINC000170639776 563913922 /nfs/dbraw/zinc/91/39/22/563913922.db2.gz CRFTUFRKYISTMA-QGZVFWFLSA-N 1 1 313.445 4.366 50 0 DIAAMO CCCCc1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)n1 ZINC000170639776 563913924 /nfs/dbraw/zinc/91/39/24/563913924.db2.gz CRFTUFRKYISTMA-QGZVFWFLSA-N 1 1 313.445 4.366 50 0 DIAAMO CC(C)(C)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000242106279 563914012 /nfs/dbraw/zinc/91/40/12/563914012.db2.gz WIJOYLPNTPBLHK-FGTMMUONSA-N 1 1 304.453 4.129 50 0 DIAAMO CC(C)(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000242106279 563914014 /nfs/dbraw/zinc/91/40/14/563914014.db2.gz WIJOYLPNTPBLHK-FGTMMUONSA-N 1 1 304.453 4.129 50 0 DIAAMO O[C@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000014929246 563914902 /nfs/dbraw/zinc/91/49/02/563914902.db2.gz RNYDSULXEGZJTK-IAGOWNOFSA-N 1 1 324.449 4.167 50 0 DIAAMO Cc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000054669997 563917092 /nfs/dbraw/zinc/91/70/92/563917092.db2.gz KPDOALIYWITQTG-LJQANCHMSA-N 1 1 319.404 4.439 50 0 DIAAMO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 ZINC000054669999 563917108 /nfs/dbraw/zinc/91/71/08/563917108.db2.gz KPDOALIYWITQTG-IBGZPJMESA-N 1 1 319.404 4.439 50 0 DIAAMO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000095356508 563931089 /nfs/dbraw/zinc/93/10/89/563931089.db2.gz ODBXLKDHBXNKCO-NBQZKYEYSA-N 1 1 309.457 4.339 50 0 DIAAMO Cc1ccccc1[C@H]([NH2+]Cc1ncnn1C(C)C)C(C)(C)C ZINC000279825231 563931653 /nfs/dbraw/zinc/93/16/53/563931653.db2.gz YZVGZCQPFOUGFV-KRWDZBQOSA-N 1 1 300.450 4.044 50 0 DIAAMO CC(C)(C)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000095972011 563933386 /nfs/dbraw/zinc/93/33/86/563933386.db2.gz WIJOYLPNTPBLHK-KZNAEPCWSA-N 1 1 304.453 4.129 50 0 DIAAMO CC(C)(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000095972011 563933387 /nfs/dbraw/zinc/93/33/87/563933387.db2.gz WIJOYLPNTPBLHK-KZNAEPCWSA-N 1 1 304.453 4.129 50 0 DIAAMO CCc1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968984 563933400 /nfs/dbraw/zinc/93/34/00/563933400.db2.gz OZBQXVAJJNGJFW-RYUDHWBXSA-N 1 1 317.458 4.076 50 0 DIAAMO CCc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968985 563933422 /nfs/dbraw/zinc/93/34/22/563933422.db2.gz OZBQXVAJJNGJFW-VXGBXAGGSA-N 1 1 317.458 4.076 50 0 DIAAMO Cc1ccc(C(C)(C)C)cc1SCCCN1CC[NH+](C)CC1 ZINC000096003418 563934687 /nfs/dbraw/zinc/93/46/87/563934687.db2.gz PCMPCYYYQFLUMH-UHFFFAOYSA-N 1 1 320.546 4.022 50 0 DIAAMO Cc1nc2c(s1)[C@H]([N@H+](C)CCO[C@H]1CCCC[C@@H]1C)CCC2 ZINC000230210237 563942088 /nfs/dbraw/zinc/94/20/88/563942088.db2.gz LLVBLQHSAUHJHY-XKQJLSEDSA-N 1 1 322.518 4.356 50 0 DIAAMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)c1 ZINC000003140926 563942529 /nfs/dbraw/zinc/94/25/29/563942529.db2.gz OXIANEDSBSKEQN-IBGZPJMESA-N 1 1 322.452 4.215 50 0 DIAAMO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000007987444 563945932 /nfs/dbraw/zinc/94/59/32/563945932.db2.gz UNADOLPXZRCBGS-KGLIPLIRSA-N 1 1 322.408 4.099 50 0 DIAAMO c1csc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000008036531 563946260 /nfs/dbraw/zinc/94/62/60/563946260.db2.gz DXBOVOOPHXJJIH-AWEZNQCLSA-N 1 1 311.410 4.135 50 0 DIAAMO c1csc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000008036531 563946261 /nfs/dbraw/zinc/94/62/61/563946261.db2.gz DXBOVOOPHXJJIH-AWEZNQCLSA-N 1 1 311.410 4.135 50 0 DIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(C)c1 ZINC000008267767 563947339 /nfs/dbraw/zinc/94/73/39/563947339.db2.gz YIAGVNLOFHZFER-QZTJIDSGSA-N 1 1 314.473 4.062 50 0 DIAAMO Cc1c(O)ccc2c(C[N@H+](C)[C@@H](C)c3ccccc3)cc(=O)oc12 ZINC000012979311 568418549 /nfs/dbraw/zinc/41/85/49/568418549.db2.gz OCUVKVIVKKZXSB-AWEZNQCLSA-N 1 1 323.392 4.000 50 0 DIAAMO C/C(=C\c1ccccc1)C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC000022586714 1038074709 /nfs/dbraw/zinc/07/47/09/1038074709.db2.gz UEQXQPNZXVXZOW-KNTRCKAVSA-N 1 1 308.469 4.154 50 0 DIAAMO C/C(=C\c1ccccc1)C[N@H+](CCN(C)C)Cc1ccccc1 ZINC000022586714 1038074730 /nfs/dbraw/zinc/07/47/30/1038074730.db2.gz UEQXQPNZXVXZOW-KNTRCKAVSA-N 1 1 308.469 4.154 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000022780826 1038377340 /nfs/dbraw/zinc/37/73/40/1038377340.db2.gz SDPUJZCHSFLDDN-UHOFOFEASA-N 1 1 314.256 4.291 50 0 DIAAMO Cc1ccc([C@@H]2C[N@@H+](CCCc3cnccc3C)CCO2)c(C)c1 ZINC000585084323 1042203228 /nfs/dbraw/zinc/20/32/28/1042203228.db2.gz BYSJMIIVROAHCT-NRFANRHFSA-N 1 1 324.468 4.013 50 0 DIAAMO Cc1ccc([C@H]2C[N@@H+](CCCc3cnccc3C)CCO2)c(C)c1 ZINC000585084327 1042203338 /nfs/dbraw/zinc/20/33/38/1042203338.db2.gz BYSJMIIVROAHCT-OAQYLSRUSA-N 1 1 324.468 4.013 50 0 DIAAMO COc1cccc(Oc2ncccc2C[NH2+][C@H](C)c2ccoc2)c1 ZINC000178741436 1042445274 /nfs/dbraw/zinc/44/52/74/1042445274.db2.gz SVQFDSYFPPEKJT-CQSZACIVSA-N 1 1 324.380 4.326 50 0 DIAAMO C[N@@H+](CC[C@H]1CCCCO1)Cc1ccc2cccc(Cl)c2n1 ZINC000215979082 1044341350 /nfs/dbraw/zinc/34/13/50/1044341350.db2.gz MZNDLRKVZFNVNO-MRXNPFEDSA-N 1 1 318.848 4.279 50 0 DIAAMO CC(C)n1cncc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000215956139 1044341661 /nfs/dbraw/zinc/34/16/61/1044341661.db2.gz USLVLCTVHVIGFV-UHFFFAOYSA-N 1 1 311.351 4.115 50 0 DIAAMO CC(C)n1cncc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000215956139 1044341677 /nfs/dbraw/zinc/34/16/77/1044341677.db2.gz USLVLCTVHVIGFV-UHFFFAOYSA-N 1 1 311.351 4.115 50 0 DIAAMO Cc1ncc([C@H](C)[NH2+][C@@H](c2cc(F)ccc2F)C2CC2)c(C)n1 ZINC000152104330 1044714990 /nfs/dbraw/zinc/71/49/90/1044714990.db2.gz ZSKAGJQJIUNGLO-BBATYDOGSA-N 1 1 317.383 4.174 50 0 DIAAMO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000019952695 1045579228 /nfs/dbraw/zinc/57/92/28/1045579228.db2.gz JICTYILWHXDRCW-OAHLLOKOSA-N 1 1 315.848 4.320 50 0 DIAAMO CCC[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1cccnc1 ZINC000055415096 1046431653 /nfs/dbraw/zinc/43/16/53/1046431653.db2.gz BKPHIHMOJBBTCS-SFHVURJKSA-N 1 1 314.429 4.328 50 0 DIAAMO CCC[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1cccnc1 ZINC000055415096 1046431662 /nfs/dbraw/zinc/43/16/62/1046431662.db2.gz BKPHIHMOJBBTCS-SFHVURJKSA-N 1 1 314.429 4.328 50 0 DIAAMO Cc1nc([C@@H](C)[N@H+](C)Cc2ccc3ccn(C)c3c2)c(C)s1 ZINC000952976178 1051124217 /nfs/dbraw/zinc/12/42/17/1051124217.db2.gz DZVLGAUEPNGCSA-GFCCVEGCSA-N 1 1 313.470 4.445 50 0 DIAAMO Cc1nc([C@@H](C)[N@@H+](C)Cc2ccc3ccn(C)c3c2)c(C)s1 ZINC000952976178 1051124223 /nfs/dbraw/zinc/12/42/23/1051124223.db2.gz DZVLGAUEPNGCSA-GFCCVEGCSA-N 1 1 313.470 4.445 50 0 DIAAMO Cc1cc2cc(NC(=O)[C@H](C)[N@@H+](C)C3CCCCC3)ccc2o1 ZINC000952966066 1051124343 /nfs/dbraw/zinc/12/43/43/1051124343.db2.gz DDQBXENPDPPURI-AWEZNQCLSA-N 1 1 314.429 4.333 50 0 DIAAMO CCCC[C@@H]([NH2+]Cc1c(CC)nn(C)c1Cl)c1cccnc1 ZINC000952987443 1051126042 /nfs/dbraw/zinc/12/60/42/1051126042.db2.gz JNKWIRUQVPBZNK-MRXNPFEDSA-N 1 1 320.868 4.052 50 0 DIAAMO CC(C)C[C@H]([NH2+]Cc1cccc(O)c1Cl)c1cccnc1 ZINC000952983643 1051126474 /nfs/dbraw/zinc/12/64/74/1051126474.db2.gz HWIKESGCVJOQAT-HNNXBMFYSA-N 1 1 304.821 4.318 50 0 DIAAMO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3sccc3C)C2)o1 ZINC000011844637 1056754259 /nfs/dbraw/zinc/75/42/59/1056754259.db2.gz CCGHXJYGRJEMJW-AWEZNQCLSA-N 1 1 303.427 4.053 50 0 DIAAMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)c3sccc3C)C2)o1 ZINC000011844637 1056754266 /nfs/dbraw/zinc/75/42/66/1056754266.db2.gz CCGHXJYGRJEMJW-AWEZNQCLSA-N 1 1 303.427 4.053 50 0 DIAAMO CC[C@@H](C)C[N@H+]1CCOc2ccc([C@@H](O)CC(C)C)cc2C1 ZINC000011910589 1056830930 /nfs/dbraw/zinc/83/09/30/1056830930.db2.gz GFIHLSCKPHFVKK-QAPCUYQASA-N 1 1 305.462 4.007 50 0 DIAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000011945376 1056872682 /nfs/dbraw/zinc/87/26/82/1056872682.db2.gz LWOVNHBELPOXSV-CYBMUJFWSA-N 1 1 321.392 4.121 50 0 DIAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000011945376 1056872686 /nfs/dbraw/zinc/87/26/86/1056872686.db2.gz LWOVNHBELPOXSV-CYBMUJFWSA-N 1 1 321.392 4.121 50 0 DIAAMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000011934129 1056875085 /nfs/dbraw/zinc/87/50/85/1056875085.db2.gz UNTRLKZPASUDRF-PTHHNIJRSA-N 1 1 321.464 4.017 50 0 DIAAMO CCCC[C@@H]1C[N@@H+](Cc2cccc(C)n2)Cc2ccccc2O1 ZINC000012152046 1056986488 /nfs/dbraw/zinc/98/64/88/1056986488.db2.gz ZGAGXPARIIUOOR-LJQANCHMSA-N 1 1 310.441 4.343 50 0 DIAAMO COc1cc2c(cc1OC)[C@H]1C[C@@H](c3ccccc3)CC[N@H+]1CC2 ZINC000095561613 185380055 /nfs/dbraw/zinc/38/00/55/185380055.db2.gz SPYSWTOTYSJXHH-QFBILLFUSA-N 1 1 323.436 4.181 50 0 DIAAMO Cc1nnc(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)o1 ZINC000096982229 185394989 /nfs/dbraw/zinc/39/49/89/185394989.db2.gz JTARPMLCERPEPG-SFHVURJKSA-N 1 1 301.434 4.063 50 0 DIAAMO O=C(C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1F)c1ccccc1 ZINC000095412438 185357752 /nfs/dbraw/zinc/35/77/52/185357752.db2.gz LXVQAHWKRNJKSM-INIZCTEOSA-N 1 1 315.363 4.202 50 0 DIAAMO O=C(C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1F)c1ccccc1 ZINC000095412438 185357753 /nfs/dbraw/zinc/35/77/53/185357753.db2.gz LXVQAHWKRNJKSM-INIZCTEOSA-N 1 1 315.363 4.202 50 0 DIAAMO COC[C@H]([NH2+][C@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 ZINC000097017182 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Fc1ccccc1CC[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000072154281 191059827 /nfs/dbraw/zinc/05/98/27/191059827.db2.gz PRBKIVVMZAJARB-KRWDZBQOSA-N 1 1 312.432 4.108 50 0 DIAAMO c1cc(-c2ccc(C[N@H+]3CCCC[C@H]3c3ccccn3)s2)n[nH]1 ZINC000072156867 191060930 /nfs/dbraw/zinc/06/09/30/191060930.db2.gz NNXFPSQWMYNLOI-KRWDZBQOSA-N 1 1 324.453 4.260 50 0 DIAAMO c1cc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cs1 ZINC000072164132 191064111 /nfs/dbraw/zinc/06/41/11/191064111.db2.gz QLGMAMFYLYOTSM-AWEZNQCLSA-N 1 1 311.454 4.079 50 0 DIAAMO CC[C@H]1CN(Cc2cccc3c(C)c(C)[nH]c32)CC[N@H+]1C(C)C ZINC000072167792 191065986 /nfs/dbraw/zinc/06/59/86/191065986.db2.gz YKUOCGBJIDRBKJ-SFHVURJKSA-N 1 1 313.489 4.089 50 0 DIAAMO CC[C@H]1C[N@H+](Cc2cccc3c(C)c(C)[nH]c32)CCN1C(C)C ZINC000072167792 191065989 /nfs/dbraw/zinc/06/59/89/191065989.db2.gz YKUOCGBJIDRBKJ-SFHVURJKSA-N 1 1 313.489 4.089 50 0 DIAAMO CC[C@H]1C[N@@H+](Cc2cccc3c(C)c(C)[nH]c32)CCN1C(C)C ZINC000072167792 191065992 /nfs/dbraw/zinc/06/59/92/191065992.db2.gz 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CC[C@H](C)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000006552202 181353372 /nfs/dbraw/zinc/35/33/72/181353372.db2.gz RXLSOSMLKIBUPI-INIZCTEOSA-N 1 1 310.441 4.271 50 0 DIAAMO Cc1cccc([C@@H]2CCCC[N@H+]2Cc2cnc3ncccn23)c1C ZINC000093684308 193288878 /nfs/dbraw/zinc/28/88/78/193288878.db2.gz JJQALUKIRLHGEQ-IBGZPJMESA-N 1 1 320.440 4.073 50 0 DIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000015837453 182020282 /nfs/dbraw/zinc/02/02/82/182020282.db2.gz MYRLQLZYFUSSTQ-LJQANCHMSA-N 1 1 315.388 4.180 50 0 DIAAMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1O ZINC000015836687 182020408 /nfs/dbraw/zinc/02/04/08/182020408.db2.gz RRKSGKUTMXWMIG-INIZCTEOSA-N 1 1 317.816 4.391 50 0 DIAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1O ZINC000015836687 182020410 /nfs/dbraw/zinc/02/04/10/182020410.db2.gz RRKSGKUTMXWMIG-INIZCTEOSA-N 1 1 317.816 4.391 50 0 DIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837002 182020478 /nfs/dbraw/zinc/02/04/78/182020478.db2.gz VTAYMDICNRQOMS-SFHVURJKSA-N 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CCCO[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012459704 563370021 /nfs/dbraw/zinc/37/00/21/563370021.db2.gz ULXPBEXMQVMJHE-CQSZACIVSA-N 1 1 320.458 4.103 50 0 DIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012459704 563370025 /nfs/dbraw/zinc/37/00/25/563370025.db2.gz ULXPBEXMQVMJHE-CQSZACIVSA-N 1 1 320.458 4.103 50 0 DIAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCCC[C@@H]1C ZINC000012439236 563370136 /nfs/dbraw/zinc/37/01/36/563370136.db2.gz DZVOFAQCJLBKHE-NSHDSACASA-N 1 1 306.356 4.303 50 0 DIAAMO CC[C@@H]1C[N@@H+](C)CC[C@@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000013635454 563384539 /nfs/dbraw/zinc/38/45/39/563384539.db2.gz OJLWUEFIEDXWFB-NQIIRXRSSA-N 1 1 323.436 4.101 50 0 DIAAMO CCOc1ncccc1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000032779280 563393298 /nfs/dbraw/zinc/39/32/98/563393298.db2.gz SCIQKDPQTGVPHG-UHFFFAOYSA-N 1 1 313.788 4.294 50 0 DIAAMO C[C@H](C1CC1)[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000032814812 563399211 /nfs/dbraw/zinc/39/92/11/563399211.db2.gz 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CCc1ccc([C@@H]2[NH2+]Cc3c(OC)cccc3-n3cccc32)cc1 ZINC000053107467 563469979 /nfs/dbraw/zinc/46/99/79/563469979.db2.gz LOKRTCCBPKXYIZ-NRFANRHFSA-N 1 1 318.420 4.241 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000055195493 563472530 /nfs/dbraw/zinc/47/25/30/563472530.db2.gz PVKSQDJZBKWPCL-ZDUSSCGKSA-N 1 1 307.821 4.226 50 0 DIAAMO CC[C@H](C)[N@H+](Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000055195493 563472525 /nfs/dbraw/zinc/47/25/25/563472525.db2.gz PVKSQDJZBKWPCL-ZDUSSCGKSA-N 1 1 307.821 4.226 50 0 DIAAMO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccc(F)c(OC)c1F ZINC000055244947 563472871 /nfs/dbraw/zinc/47/28/71/563472871.db2.gz HDXOOIOCIOFUKI-CYBMUJFWSA-N 1 1 320.383 4.169 50 0 DIAAMO CC[C@@H](C)[N@@H+](Cc1cccnc1)Cc1ccc(F)c(OC)c1F ZINC000055244947 563472873 /nfs/dbraw/zinc/47/28/73/563472873.db2.gz HDXOOIOCIOFUKI-CYBMUJFWSA-N 1 1 320.383 4.169 50 0 DIAAMO CC(=O)Nc1ccc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)cc1 ZINC000055393431 563475523 /nfs/dbraw/zinc/47/55/23/563475523.db2.gz 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COCC[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(Cl)c1F ZINC000216007062 563707645 /nfs/dbraw/zinc/70/76/45/563707645.db2.gz ZMQOAVBOKYRVBW-LLVKDONJSA-N 1 1 303.780 4.009 50 0 DIAAMO COCC[C@H]1CCCC[N@H+]1Cc1c(F)ccc(Cl)c1F ZINC000216007062 563707647 /nfs/dbraw/zinc/70/76/47/563707647.db2.gz ZMQOAVBOKYRVBW-LLVKDONJSA-N 1 1 303.780 4.009 50 0 DIAAMO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1F)O[C@@H](C)C2 ZINC000025363156 563726650 /nfs/dbraw/zinc/72/66/50/563726650.db2.gz XQMKRVMBTHPWGB-STQMWFEESA-N 1 1 315.388 4.009 50 0 DIAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)[C@H]2CCCC[C@H]21 ZINC000247812703 563782195 /nfs/dbraw/zinc/78/21/95/563782195.db2.gz BIWOHGQOCMGKSL-FSSWDIPSSA-N 1 1 321.464 4.339 50 0 DIAAMO Cc1c[nH]c(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)c(C)c1=O ZINC000253537124 563784365 /nfs/dbraw/zinc/78/43/65/563784365.db2.gz YQUFTUZPIHYCEP-AWEZNQCLSA-N 1 1 316.832 4.047 50 0 DIAAMO CC(C)c1[nH+]ccn1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000182854199 563793782 /nfs/dbraw/zinc/79/37/82/563793782.db2.gz 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/nfs/dbraw/zinc/06/74/05/181067405.db2.gz LWYDDCLGQDQBBL-UHFFFAOYSA-N 1 1 312.410 4.142 50 0 DIAAMO Clc1ccc(SCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000004472949 181111286 /nfs/dbraw/zinc/11/12/86/181111286.db2.gz UXFVOZGUWDNLPF-UHFFFAOYSA-N 1 1 303.858 4.490 50 0 DIAAMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000005018088 181190893 /nfs/dbraw/zinc/19/08/93/181190893.db2.gz DRTYOXXPPQRSHF-GOSISDBHSA-N 1 1 309.409 4.022 50 0 DIAAMO CC(C)C[C@H]([NH3+])c1nnc(SCc2cccc(Cl)c2)o1 ZINC000005047374 181196002 /nfs/dbraw/zinc/19/60/02/181196002.db2.gz QNEQAAZBRHTWRT-LBPRGKRZSA-N 1 1 311.838 4.061 50 0 DIAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000005070192 181200448 /nfs/dbraw/zinc/20/04/48/181200448.db2.gz HPBMJTIXAXDVLJ-SKDRFNHKSA-N 1 1 311.838 4.061 50 0 DIAAMO Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ccccc2)CC1 ZINC000005741066 181279239 /nfs/dbraw/zinc/27/92/39/181279239.db2.gz SHBIVVWFJHADHA-UHFFFAOYSA-N 1 1 323.827 4.215 50 0 DIAAMO c1cncc([C@@H]2CCCC[N@@H+]2CCOc2ccc3c(c2)CCC3)c1 ZINC000006624606 181362420 /nfs/dbraw/zinc/36/24/20/181362420.db2.gz ZTWYFGQMBYHVSK-NRFANRHFSA-N 1 1 322.452 4.176 50 0 biogenic DIAAMO CCn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000091780118 193106668 /nfs/dbraw/zinc/10/66/68/193106668.db2.gz MHMHSBOTITZJJA-CQSZACIVSA-N 1 1 321.827 4.075 50 0 DIAAMO CCc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000092375663 193187461 /nfs/dbraw/zinc/18/74/61/193187461.db2.gz PABRGWQGIBRWNY-JTQLQIEISA-N 1 1 312.244 4.140 50 0 DIAAMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)s1 ZINC000093102806 193203763 /nfs/dbraw/zinc/20/37/63/193203763.db2.gz QKTCBUHODUGECC-IIBYNOLFSA-N 1 1 319.495 4.131 50 0 DIAAMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1OC ZINC000015837264 182020164 /nfs/dbraw/zinc/02/01/64/182020164.db2.gz JPPOSOKDMYMWLR-QGZVFWFLSA-N 1 1 315.388 4.180 50 0 DIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)cc1 ZINC000015836895 182020237 /nfs/dbraw/zinc/02/02/37/182020237.db2.gz SUTDMLYAURSCEX-GOSISDBHSA-N 1 1 303.352 4.311 50 0 DIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc(OC)c1 ZINC000015836844 182020543 /nfs/dbraw/zinc/02/05/43/182020543.db2.gz SGFFBVNVIQHNQW-HXUWFJFHSA-N 1 1 311.425 4.349 50 0 DIAAMO COc1cccc([C@@H]2CCCC[N@H+]2CCc2c(C)noc2C)c1 ZINC000020205222 182197891 /nfs/dbraw/zinc/19/78/91/182197891.db2.gz CPGRFJGSNWZUNQ-IBGZPJMESA-N 1 1 314.429 4.070 50 0 DIAAMO Cn1c2ccccc2c2c1[C@@]1(c3ccccc3)CCC[N@H+]1CC2 ZINC000020410377 182214721 /nfs/dbraw/zinc/21/47/21/182214721.db2.gz KLBANMXKJPIDCF-NRFANRHFSA-N 1 1 302.421 4.074 50 0 biogenic DIAAMO FC(F)(F)c1cccc(OCC[N@H+]2CCc3ccccc3C2)c1 ZINC000020322894 182206832 /nfs/dbraw/zinc/20/68/32/182206832.db2.gz YFPKVHFTEHUOFJ-UHFFFAOYSA-N 1 1 321.342 4.143 50 0 DIAAMO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000021720836 182286697 /nfs/dbraw/zinc/28/66/97/182286697.db2.gz APKAYAOPYSPBCR-CQSZACIVSA-N 1 1 306.356 4.161 50 0 DIAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000021720836 182286698 /nfs/dbraw/zinc/28/66/98/182286698.db2.gz APKAYAOPYSPBCR-CQSZACIVSA-N 1 1 306.356 4.161 50 0 DIAAMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000022197668 182312957 /nfs/dbraw/zinc/31/29/57/182312957.db2.gz SRYWGXGRTKKXAI-KRWDZBQOSA-N 1 1 322.452 4.414 50 0 DIAAMO CC[C@@H]1CCCC[N@H+]1Cc1coc2ccc(Cl)cc2c1=O ZINC000023281586 182355366 /nfs/dbraw/zinc/35/53/66/182355366.db2.gz LSPRXSACERXIGE-CQSZACIVSA-N 1 1 305.805 4.211 50 0 DIAAMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccccc1 ZINC000023279920 182355484 /nfs/dbraw/zinc/35/54/84/182355484.db2.gz SMLAUWGKCMEACW-INIZCTEOSA-N 1 1 310.224 4.159 50 0 DIAAMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)c1ccccc1 ZINC000023280103 182355620 /nfs/dbraw/zinc/35/56/20/182355620.db2.gz NPKAJJMXYLLONV-OAHLLOKOSA-N 1 1 310.224 4.159 50 0 DIAAMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1ccccc1 ZINC000023279917 182355829 /nfs/dbraw/zinc/35/58/29/182355829.db2.gz SMLAUWGKCMEACW-MRXNPFEDSA-N 1 1 310.224 4.159 50 0 DIAAMO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000024518927 182382836 /nfs/dbraw/zinc/38/28/36/182382836.db2.gz BFMGUSOGKFBVQE-GJZGRUSLSA-N 1 1 307.397 4.457 50 0 DIAAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCc2ccccc21 ZINC000024829958 182392661 /nfs/dbraw/zinc/39/26/61/182392661.db2.gz DBKQBWBEEIPDOQ-OAQYLSRUSA-N 1 1 317.436 4.382 50 0 DIAAMO Cc1ccccc1C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000039395942 183017943 /nfs/dbraw/zinc/01/79/43/183017943.db2.gz ICKPJOFWQXLABK-KRWDZBQOSA-N 1 1 305.425 4.251 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)Cc1ccccc1C ZINC000057450398 184038946 /nfs/dbraw/zinc/03/89/46/184038946.db2.gz XZZYBMMTHGJTDU-UHFFFAOYSA-N 1 1 306.409 4.099 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)Cc1ccccc1C ZINC000057450398 184038948 /nfs/dbraw/zinc/03/89/48/184038948.db2.gz XZZYBMMTHGJTDU-UHFFFAOYSA-N 1 1 306.409 4.099 50 0 DIAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C)C3CC3)c2cc1C(C)C ZINC000058394078 184112722 /nfs/dbraw/zinc/11/27/22/184112722.db2.gz TZWLATPMIYYXJE-CQSZACIVSA-N 1 1 313.441 4.455 50 0 DIAAMO Clc1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000252452928 256610876 /nfs/dbraw/zinc/61/08/76/256610876.db2.gz ORDWTQMJVXHERZ-KGLIPLIRSA-N 1 1 321.848 4.219 50 0 DIAAMO C(C1CCCCC1)N1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000244633358 257259591 /nfs/dbraw/zinc/25/95/91/257259591.db2.gz GBNBYPBMSVRMBX-PMACEKPBSA-N 1 1 304.522 4.296 50 0 DIAAMO c1ccc([C@H]2C[N@H+](C[C@H]3CCCCO3)Cc3ccccc32)cc1 ZINC000239637118 257259886 /nfs/dbraw/zinc/25/98/86/257259886.db2.gz BIWSCYRZAJFDGR-TZIWHRDSSA-N 1 1 307.437 4.203 50 0 DIAAMO Cc1ccc2nc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)cn2c1 ZINC000560541549 332355427 /nfs/dbraw/zinc/35/54/27/332355427.db2.gz BDDOVKHSPUTCHY-GOSISDBHSA-N 1 1 305.425 4.022 50 0 DIAAMO Cc1cnc([C@H](C)[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000328596289 534642500 /nfs/dbraw/zinc/64/25/00/534642500.db2.gz CMJUEQBEJRVHHU-AWEZNQCLSA-N 1 1 313.832 4.289 50 0 DIAAMO Cc1cnc([C@H](C)[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000328596289 534642505 /nfs/dbraw/zinc/64/25/05/534642505.db2.gz CMJUEQBEJRVHHU-AWEZNQCLSA-N 1 1 313.832 4.289 50 0 DIAAMO C[N@H+](Cn1nc(-c2cccs2)[nH]c1=S)C1CCCCCC1 ZINC000048310548 563695738 /nfs/dbraw/zinc/69/57/38/563695738.db2.gz BGKVUIHIYHYSCC-UHFFFAOYSA-N 1 1 322.503 4.281 50 0 DIAAMO C[N@@H+](Cn1nc(-c2cccs2)[nH]c1=S)C1CCCCCC1 ZINC000048310548 563695739 /nfs/dbraw/zinc/69/57/39/563695739.db2.gz BGKVUIHIYHYSCC-UHFFFAOYSA-N 1 1 322.503 4.281 50 0 DIAAMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000007384179 563905672 /nfs/dbraw/zinc/90/56/72/563905672.db2.gz WUEUUIXNSHDMAI-QWRGUYRKSA-N 1 1 315.244 4.052 50 0 DIAAMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000007384179 563905674 /nfs/dbraw/zinc/90/56/74/563905674.db2.gz WUEUUIXNSHDMAI-QWRGUYRKSA-N 1 1 315.244 4.052 50 0 DIAAMO Cc1cnc(C[NH2+][C@H](C)c2ccc(Br)cc2)s1 ZINC000095963812 563932623 /nfs/dbraw/zinc/93/26/23/563932623.db2.gz KZRTZZPBSTZESE-SNVBAGLBSA-N 1 1 311.248 4.065 50 0 DIAAMO CC[C@@](C)([NH2+]Cc1ccc(OC)c(Cl)c1)c1nccs1 ZINC000174419755 563957339 /nfs/dbraw/zinc/95/73/39/563957339.db2.gz JUUIGEHJBAFNJQ-OAHLLOKOSA-N 1 1 310.850 4.220 50 0 DIAAMO CCC[N@@H+](CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 ZINC000000004028 563211090 /nfs/dbraw/zinc/21/10/90/563211090.db2.gz KFQYTPMOWPVWEJ-INIZCTEOSA-N 1 1 315.482 4.266 50 0 fda DIAAMO C[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000000207765 563230078 /nfs/dbraw/zinc/23/00/78/563230078.db2.gz HGTDJQUDDCDCRF-HNNXBMFYSA-N 1 1 306.881 4.036 50 0 DIAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCC(c2ccccc2)CC1 ZINC000000280161 563235116 /nfs/dbraw/zinc/23/51/16/563235116.db2.gz UQNZQQKNENFRRR-ACBHZAAOSA-N 1 1 315.457 4.130 50 0 DIAAMO CCC[N@@H+](CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 ZINC000002169415 563300880 /nfs/dbraw/zinc/30/08/80/563300880.db2.gz DEYFWGXTPWNADC-IBGZPJMESA-N 1 1 309.453 4.204 50 0 in-vitro DIAAMO O=C(c1ccc(Cl)c(F)c1)c1ccccc1C[NH+]1CC=CC1 ZINC000002515899 563305775 /nfs/dbraw/zinc/30/57/75/563305775.db2.gz LVJDHNVZGVJALW-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1ccc(Cl)c(F)c1 ZINC000002515404 563305983 /nfs/dbraw/zinc/30/59/83/563305983.db2.gz MEIVCBHWXOSOSD-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)c1ccc(Cl)cc1F ZINC000002515414 563306117 /nfs/dbraw/zinc/30/61/17/563306117.db2.gz UROTUMLSUQMDKW-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO C[N@@H+]1C[C@@H](c2ccccc2F)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005525671 563329591 /nfs/dbraw/zinc/32/95/91/563329591.db2.gz LHJBCLDBYVWZGT-JKSUJKDBSA-N 1 1 317.791 4.007 50 0 DIAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@@H]3C)c(C)o2)ccc1F ZINC000011765240 563359259 /nfs/dbraw/zinc/35/92/59/563359259.db2.gz QJNSZYQPALCSCG-LBPRGKRZSA-N 1 1 318.392 4.172 50 0 DIAAMO COc1cccc(CC[C@H]2CCC[N@H+](C3CCSCC3)C2)c1 ZINC000012209920 563364682 /nfs/dbraw/zinc/36/46/82/563364682.db2.gz PRQNZSDFJAGKIX-QGZVFWFLSA-N 1 1 319.514 4.235 50 0 DIAAMO C[N@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2F)C1 ZINC000013143354 563379428 /nfs/dbraw/zinc/37/94/28/563379428.db2.gz LHJBCLDBYVWZGT-CVEARBPZSA-N 1 1 317.791 4.007 50 0 DIAAMO CC(C)c1ccc(-c2c3c(n[nH+]c2N)c2ccccc2n3C)cc1 ZINC000013580554 563383513 /nfs/dbraw/zinc/38/35/13/563383513.db2.gz QESKTGPWJKWNMI-UHFFFAOYSA-N 1 1 316.408 4.494 50 0 DIAAMO COc1ccc(C(C)=O)cc1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015261647 563408202 /nfs/dbraw/zinc/40/82/02/563408202.db2.gz NXWDZMUIBJUSAJ-HXUWFJFHSA-N 1 1 323.436 4.407 50 0 DIAAMO Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000010895996 563420084 /nfs/dbraw/zinc/42/00/84/563420084.db2.gz QQVSUJDNGIATIX-UHFFFAOYSA-N 1 1 320.179 4.430 50 0 DIAAMO c1ccc([C@H]2C[N@H+](CCc3ccncc3)Cc3ccccc32)cc1 ZINC000026098240 563424911 /nfs/dbraw/zinc/42/49/11/563424911.db2.gz AYRLMVVXRWWAIJ-JOCHJYFZSA-N 1 1 314.432 4.272 50 0 DIAAMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029484288 563434284 /nfs/dbraw/zinc/43/42/84/563434284.db2.gz TVBUDUAFDCWFPS-LJQANCHMSA-N 1 1 322.452 4.115 50 0 DIAAMO C(=C/C1=CC[N@@H+](Cc2ccccc2)CC1)\c1ccc2c(c1)OCO2 ZINC000000207642 563446694 /nfs/dbraw/zinc/44/66/94/563446694.db2.gz PXTSVXYDPGMZII-VOTSOKGWSA-N 1 1 319.404 4.261 50 0 DIAAMO C/C=C/c1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000004885437 563449918 /nfs/dbraw/zinc/44/99/18/563449918.db2.gz NKDRALPQPHEJJV-AXHPFZFWSA-N 1 1 303.446 4.085 50 0 DIAAMO Cc1ccsc1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000252427588 563451986 /nfs/dbraw/zinc/45/19/86/563451986.db2.gz LNYKFDYVUPKCTB-HKUYNNGSSA-N 1 1 318.530 4.285 50 0 DIAAMO Cc1ccsc1C[N@@H+]1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000252427588 563451989 /nfs/dbraw/zinc/45/19/89/563451989.db2.gz LNYKFDYVUPKCTB-HKUYNNGSSA-N 1 1 318.530 4.285 50 0 DIAAMO Cc1ccsc1C[N@H+]1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000252427588 563451990 /nfs/dbraw/zinc/45/19/90/563451990.db2.gz LNYKFDYVUPKCTB-HKUYNNGSSA-N 1 1 318.530 4.285 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1cnc(NC(C)C)nc1 ZINC000055168126 563471636 /nfs/dbraw/zinc/47/16/36/563471636.db2.gz QXXGEVZNOKXKBW-AWEZNQCLSA-N 1 1 318.490 4.159 50 0 DIAAMO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1cnc(NC(C)C)nc1 ZINC000055168123 563472139 /nfs/dbraw/zinc/47/21/39/563472139.db2.gz QXXGEVZNOKXKBW-CQSZACIVSA-N 1 1 318.490 4.159 50 0 DIAAMO CC[C@@H](C)[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccnc1 ZINC000055340824 563474322 /nfs/dbraw/zinc/47/43/22/563474322.db2.gz UGZBFCJOIAHPLS-QGZVFWFLSA-N 1 1 320.440 4.068 50 0 DIAAMO CC1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000058191591 563478859 /nfs/dbraw/zinc/47/88/59/563478859.db2.gz KYWLHYZGYQYLJZ-UHFFFAOYSA-N 1 1 305.219 4.234 50 0 DIAAMO CC(C)c1cc(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)n[nH]1 ZINC000067847023 563492187 /nfs/dbraw/zinc/49/21/87/563492187.db2.gz IQYCWUNTVVIYRW-UHFFFAOYSA-N 1 1 322.456 4.394 50 0 DIAAMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000075712270 563505317 /nfs/dbraw/zinc/50/53/17/563505317.db2.gz RXVZBFXEIIKQSY-INIZCTEOSA-N 1 1 302.805 4.081 50 0 DIAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000075712270 563505319 /nfs/dbraw/zinc/50/53/19/563505319.db2.gz RXVZBFXEIIKQSY-INIZCTEOSA-N 1 1 302.805 4.081 50 0 DIAAMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](CCCOC)C1 ZINC000077490128 563511006 /nfs/dbraw/zinc/51/10/06/563511006.db2.gz PSVKDNQTKYXDDZ-KRWDZBQOSA-N 1 1 314.473 4.300 50 0 DIAAMO O=C(C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000097230577 563514137 /nfs/dbraw/zinc/51/41/37/563514137.db2.gz DKMJEPDVHDWHSH-CQSZACIVSA-N 1 1 321.779 4.310 50 0 DIAAMO O=C(C[C@H]1CCC[N@H+]1Cc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000097230577 563514140 /nfs/dbraw/zinc/51/41/40/563514140.db2.gz DKMJEPDVHDWHSH-CQSZACIVSA-N 1 1 321.779 4.310 50 0 DIAAMO C[N@@H+]1CCCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000095857871 563530516 /nfs/dbraw/zinc/53/05/16/563530516.db2.gz RBSDTAAHXCEHHB-IBGZPJMESA-N 1 1 314.860 4.415 50 0 DIAAMO C[N@H+]1CCCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000095857871 563530517 /nfs/dbraw/zinc/53/05/17/563530517.db2.gz RBSDTAAHXCEHHB-IBGZPJMESA-N 1 1 314.860 4.415 50 0 DIAAMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000100013519 563544716 /nfs/dbraw/zinc/54/47/16/563544716.db2.gz YHGHRIAZABSSGB-REPLKXPHSA-N 1 1 324.472 4.078 50 0 in-vitro DIAAMO O=C(/C=C/c1ccccc1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000000348958 563589526 /nfs/dbraw/zinc/58/95/26/563589526.db2.gz BOSOJKZVVTUPTA-BUHFOSPRSA-N 1 1 318.420 4.101 50 0 DIAAMO Cc1ccc2[nH+]c(-c3cccnc3)c(NC3CCCCC3)n2c1 ZINC000000417868 563611302 /nfs/dbraw/zinc/61/13/02/563611302.db2.gz MSAMYZZCDZWSEE-UHFFFAOYSA-N 1 1 306.413 4.449 50 0 DIAAMO C[C@@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnccn1 ZINC000108462244 563688757 /nfs/dbraw/zinc/68/87/57/563688757.db2.gz LQQHFJQVEHGSOT-HZPDHXFCSA-N 1 1 310.445 4.024 50 0 DIAAMO Cc1ccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccsc3)no2)s1 ZINC000048342216 563697069 /nfs/dbraw/zinc/69/70/69/563697069.db2.gz BBRDOUGUMMSYSN-LLVKDONJSA-N 1 1 319.455 4.361 50 0 DIAAMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccsc3)no2)s1 ZINC000048342216 563697071 /nfs/dbraw/zinc/69/70/71/563697071.db2.gz BBRDOUGUMMSYSN-LLVKDONJSA-N 1 1 319.455 4.361 50 0 DIAAMO C[C@@H](c1cccnc1)[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215469744 563705643 /nfs/dbraw/zinc/70/56/43/563705643.db2.gz YRFJXMCRGSGNDI-HNNXBMFYSA-N 1 1 310.445 4.112 50 0 DIAAMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215469744 563705648 /nfs/dbraw/zinc/70/56/48/563705648.db2.gz YRFJXMCRGSGNDI-HNNXBMFYSA-N 1 1 310.445 4.112 50 0 DIAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000247812707 563782307 /nfs/dbraw/zinc/78/23/07/563782307.db2.gz BIWOHGQOCMGKSL-VSKRKVRLSA-N 1 1 321.464 4.339 50 0 DIAAMO c1ccc([C@@H]2C[C@H](c3noc(CC4CCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299799605 563806328 /nfs/dbraw/zinc/80/63/28/563806328.db2.gz UITORIBUKJGCKG-KSZLIROESA-N 1 1 323.440 4.105 50 0 DIAAMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000084131106 563823522 /nfs/dbraw/zinc/82/35/22/563823522.db2.gz VJJZFBMILURQSH-AWEZNQCLSA-N 1 1 311.351 4.146 50 0 DIAAMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC000084131106 563823526 /nfs/dbraw/zinc/82/35/26/563823526.db2.gz VJJZFBMILURQSH-AWEZNQCLSA-N 1 1 311.351 4.146 50 0 DIAAMO Cc1ccc2[nH]c(C3C[NH+](Cc4cccc(Cl)c4)C3)nc2c1 ZINC000085467291 563838212 /nfs/dbraw/zinc/83/82/12/563838212.db2.gz CADOGPIBEIFZME-UHFFFAOYSA-N 1 1 311.816 4.124 50 0 DIAAMO Cc1ccc2nc(C3C[NH+](Cc4cccc(Cl)c4)C3)[nH]c2c1 ZINC000085467291 563838214 /nfs/dbraw/zinc/83/82/14/563838214.db2.gz CADOGPIBEIFZME-UHFFFAOYSA-N 1 1 311.816 4.124 50 0 DIAAMO CC(C)C[N@@H+]1CS[C@H](COc2cccc3ccccc32)C1 ZINC000075262213 563862253 /nfs/dbraw/zinc/86/22/53/563862253.db2.gz WSRJRSMMIAOBRH-INIZCTEOSA-N 1 1 301.455 4.250 50 0 DIAAMO CC(C)C[N@H+]1CS[C@H](COc2cccc3ccccc32)C1 ZINC000075262213 563862254 /nfs/dbraw/zinc/86/22/54/563862254.db2.gz WSRJRSMMIAOBRH-INIZCTEOSA-N 1 1 301.455 4.250 50 0 DIAAMO Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000089587393 563891188 /nfs/dbraw/zinc/89/11/88/563891188.db2.gz LAJZPHHRDCKEHO-UHFFFAOYSA-N 1 1 320.845 4.224 50 0 DIAAMO CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099005 563893431 /nfs/dbraw/zinc/89/34/31/563893431.db2.gz NEWPPQAJZAGVAV-HXUWFJFHSA-N 1 1 315.432 4.216 50 0 DIAAMO CCC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101964 563893790 /nfs/dbraw/zinc/89/37/90/563893790.db2.gz KKDIXXFVPBXLIQ-HXUWFJFHSA-N 1 1 315.432 4.297 50 0 DIAAMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCCCCC1 ZINC000007378141 563905323 /nfs/dbraw/zinc/90/53/23/563905323.db2.gz PMFNDIBNANTDJI-LLVKDONJSA-N 1 1 315.244 4.196 50 0 DIAAMO C[C@H]([NH2+][C@@H](C)c1cnccn1)c1cc2cc(Cl)ccc2o1 ZINC000090034782 563912486 /nfs/dbraw/zinc/91/24/86/563912486.db2.gz ICAQPQIFCILBNM-QWRGUYRKSA-N 1 1 301.777 4.288 50 0 DIAAMO Fc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1ccncc1 ZINC000037522622 563918369 /nfs/dbraw/zinc/91/83/69/563918369.db2.gz HNAGMIDHKXGBID-HXUWFJFHSA-N 1 1 321.399 4.018 50 0 DIAAMO Fc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1ccncc1 ZINC000037522622 563918370 /nfs/dbraw/zinc/91/83/70/563918370.db2.gz HNAGMIDHKXGBID-HXUWFJFHSA-N 1 1 321.399 4.018 50 0 DIAAMO C[C@@H]1CCCC[N@H+]1Cc1cncc(-c2cc(F)cc(F)c2)c1 ZINC000037554050 563918709 /nfs/dbraw/zinc/91/87/09/563918709.db2.gz PBZMFLASBQHION-CYBMUJFWSA-N 1 1 302.368 4.401 50 0 DIAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)C2CCCCC2)c(Cl)c1 ZINC000007786385 563919311 /nfs/dbraw/zinc/91/93/11/563919311.db2.gz PATPCMHRBYFIEJ-UHFFFAOYSA-N 1 1 308.853 4.160 50 0 DIAAMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C ZINC000095350738 563931097 /nfs/dbraw/zinc/93/10/97/563931097.db2.gz TXUWQXBBBXRWSF-IBGZPJMESA-N 1 1 310.441 4.480 50 0 DIAAMO COC[C@H]([NH2+][C@@H]1C[C@@H](C)Sc2ccccc21)c1ccco1 ZINC000095968847 563933300 /nfs/dbraw/zinc/93/33/00/563933300.db2.gz SYQUNUCFCQBUAN-YUELXQCFSA-N 1 1 303.427 4.182 50 0 DIAAMO CCc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968983 563933446 /nfs/dbraw/zinc/93/34/46/563933446.db2.gz OZBQXVAJJNGJFW-NWDGAFQWSA-N 1 1 317.458 4.076 50 0 DIAAMO C[C@H]1C[C@@H](Nc2cccc(CCC(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000095980646 563934008 /nfs/dbraw/zinc/93/40/08/563934008.db2.gz PIYIBLCEFXOEIF-SWLSCSKDSA-N 1 1 312.379 4.219 50 0 DIAAMO c1ccc(CC2=CC[N@@H+](CCCOc3ccccc3)CC2)cc1 ZINC000096027073 563935045 /nfs/dbraw/zinc/93/50/45/563935045.db2.gz OQXJUTXZFXDKKV-UHFFFAOYSA-N 1 1 307.437 4.330 50 0 DIAAMO CCOC(=O)[C@H](c1ccc(-c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000096026454 563935102 /nfs/dbraw/zinc/93/51/02/563935102.db2.gz SHQMZNHTHCSZOE-FQEVSTJZSA-N 1 1 323.436 4.444 50 0 DIAAMO C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccncc1 ZINC000057570482 563941895 /nfs/dbraw/zinc/94/18/95/563941895.db2.gz SGJJKDCGIJWYLL-NSHDSACASA-N 1 1 301.440 4.117 50 0 DIAAMO c1csc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000008036528 563946342 /nfs/dbraw/zinc/94/63/42/563946342.db2.gz DXBOVOOPHXJJIH-CQSZACIVSA-N 1 1 311.410 4.135 50 0 DIAAMO c1csc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000008036528 563946343 /nfs/dbraw/zinc/94/63/43/563946343.db2.gz DXBOVOOPHXJJIH-CQSZACIVSA-N 1 1 311.410 4.135 50 0 DIAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717407 563950106 /nfs/dbraw/zinc/95/01/06/563950106.db2.gz SUCBMENYHXHCDP-UHFFFAOYSA-N 1 1 300.446 4.488 50 0 DIAAMO Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)o2)cc1 ZINC000069144578 563951870 /nfs/dbraw/zinc/95/18/70/563951870.db2.gz DDNJUPBENXIPFT-MRXNPFEDSA-N 1 1 311.360 4.146 50 0 DIAAMO Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)o2)cc1 ZINC000069144578 563951871 /nfs/dbraw/zinc/95/18/71/563951871.db2.gz DDNJUPBENXIPFT-MRXNPFEDSA-N 1 1 311.360 4.146 50 0 DIAAMO Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000010311082 563958710 /nfs/dbraw/zinc/95/87/10/563958710.db2.gz OZWLWPGLKFTNBE-LJQANCHMSA-N 1 1 308.425 4.079 50 0 DIAAMO C[N@@H+](CC(=O)N(C1=CCCCC1)C1CC1)[C@H]1CCc2ccccc21 ZINC000071794782 568419885 /nfs/dbraw/zinc/41/98/85/568419885.db2.gz MOBUFUJHUCTYCK-FQEVSTJZSA-N 1 1 324.468 4.055 50 0 DIAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c(C)c1C ZINC000022022977 1036452783 /nfs/dbraw/zinc/45/27/83/1036452783.db2.gz HJLKLNUZFDYSGB-LJQANCHMSA-N 1 1 310.441 4.434 50 0 DIAAMO Cc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000022078111 1036538009 /nfs/dbraw/zinc/53/80/09/1036538009.db2.gz FKJKLQPFMZQXNF-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccc(C[N@@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000022078111 1036538018 /nfs/dbraw/zinc/53/80/18/1036538018.db2.gz FKJKLQPFMZQXNF-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccc(C[N@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000022078111 1036538030 /nfs/dbraw/zinc/53/80/30/1036538030.db2.gz FKJKLQPFMZQXNF-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1c(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2F)cnn1C ZINC000692332448 1038168660 /nfs/dbraw/zinc/16/86/60/1038168660.db2.gz WVIIPQOYKGEIHA-MRVPVSSYSA-N 1 1 316.207 4.025 50 0 DIAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([C@H](C)O)C3)c2)cc1 ZINC000108386988 1041914799 /nfs/dbraw/zinc/91/47/99/1041914799.db2.gz RYPDREVQBFRYQL-UWJYYQICSA-N 1 1 309.453 4.255 50 0 DIAAMO CCc1nc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)ccc1C ZINC000216093789 1044342998 /nfs/dbraw/zinc/34/29/98/1044342998.db2.gz ZZFMZRSRERCTKU-MRXNPFEDSA-N 1 1 310.441 4.013 50 0 DIAAMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1ccc2cccc(Cl)c2n1 ZINC000215979039 1044343020 /nfs/dbraw/zinc/34/30/20/1044343020.db2.gz MZNDLRKVZFNVNO-INIZCTEOSA-N 1 1 318.848 4.279 50 0 DIAAMO Cc1ncc([C@H](C)[NH2+][C@H](c2cc(F)ccc2F)C2CC2)c(C)n1 ZINC000152104487 1044713579 /nfs/dbraw/zinc/71/35/79/1044713579.db2.gz ZSKAGJQJIUNGLO-VOJFVSQTSA-N 1 1 317.383 4.174 50 0 DIAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](C(C)C)C2 ZINC000014976020 1045562186 /nfs/dbraw/zinc/56/21/86/1045562186.db2.gz NVKXPUWJUPMEMC-UHFFFAOYSA-N 1 1 317.454 4.335 50 0 DIAAMO Fc1ccccc1CN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000621436170 1046260923 /nfs/dbraw/zinc/26/09/23/1046260923.db2.gz JDEJKPIDESTDOZ-WOJBJXKFSA-N 1 1 316.464 4.055 50 0 DIAAMO CC[N@@H+](Cc1cc(C)nc2ccccc12)[C@H]1CCOC(C)(C)C1 ZINC000810044110 1048223380 /nfs/dbraw/zinc/22/33/80/1048223380.db2.gz XVANFDAUGXMFCZ-KRWDZBQOSA-N 1 1 312.457 4.323 50 0 DIAAMO Cc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000825175482 1050291557 /nfs/dbraw/zinc/29/15/57/1050291557.db2.gz FKJKLQPFMZQXNF-NHCUHLMSSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccc(C[N@@H+]2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000825175482 1050291572 /nfs/dbraw/zinc/29/15/72/1050291572.db2.gz FKJKLQPFMZQXNF-NHCUHLMSSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccc(C[N@H+]2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000825175482 1050291589 /nfs/dbraw/zinc/29/15/89/1050291589.db2.gz FKJKLQPFMZQXNF-NHCUHLMSSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1[nH]c2c([nH+]1)CCN(Cc1ccc(C3CCCCC3)s1)C2 ZINC000825277068 1050294691 /nfs/dbraw/zinc/29/46/91/1050294691.db2.gz ZOQHWGBFIYTFJR-UHFFFAOYSA-N 1 1 315.486 4.386 50 0 DIAAMO O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c3ccccc3oc21 ZINC000828870086 1050503475 /nfs/dbraw/zinc/50/34/75/1050503475.db2.gz SQVCSIJHPKHWSL-ZSHCYNCHSA-N 1 1 307.393 4.074 50 0 DIAAMO Cc1cnc(C2CCC2)n1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581808070 1051321548 /nfs/dbraw/zinc/32/15/48/1051321548.db2.gz PKJVUCHWUIOQBM-LJQANCHMSA-N 1 1 323.484 4.371 50 0 DIAAMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000252552884 1052628291 /nfs/dbraw/zinc/62/82/91/1052628291.db2.gz VEDLWDKSIAHWLU-BLLLJJGKSA-N 1 1 321.346 4.079 50 0 DIAAMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000252552884 1052628300 /nfs/dbraw/zinc/62/83/00/1052628300.db2.gz VEDLWDKSIAHWLU-BLLLJJGKSA-N 1 1 321.346 4.079 50 0 DIAAMO CSc1cccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000011937005 1056873889 /nfs/dbraw/zinc/87/38/89/1056873889.db2.gz SARXDVVTAUBHAE-GOSISDBHSA-N 1 1 312.482 4.485 50 0 DIAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1 ZINC000012197917 1056983916 /nfs/dbraw/zinc/98/39/16/1056983916.db2.gz PISAIEFDMSGNQC-YFCVBGDOSA-N 1 1 315.438 4.258 50 0 DIAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000012197917 1056983923 /nfs/dbraw/zinc/98/39/23/1056983923.db2.gz PISAIEFDMSGNQC-YFCVBGDOSA-N 1 1 315.438 4.258 50 0 DIAAMO CCCO[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001529126083 1058617319 /nfs/dbraw/zinc/61/73/19/1058617319.db2.gz WTLCWWOXIQHMGM-INIZCTEOSA-N 1 1 315.379 4.405 50 0 DIAAMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)n1 ZINC000092788361 185341341 /nfs/dbraw/zinc/34/13/41/185341341.db2.gz DXBWWSBZQMAPQR-CYBMUJFWSA-N 1 1 319.499 4.165 50 0 DIAAMO Cc1ccsc1[C@@H](C)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000095423416 185361053 /nfs/dbraw/zinc/36/10/53/185361053.db2.gz VHDKTQZLKYZWGV-OAHLLOKOSA-N 1 1 311.454 4.152 50 0 DIAAMO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c(Cl)c1 ZINC000095446831 185367760 /nfs/dbraw/zinc/36/77/60/185367760.db2.gz IGWSGAJSBPPBCF-INIZCTEOSA-N 1 1 319.836 4.026 50 0 DIAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c(Cl)c1 ZINC000095446831 185367761 /nfs/dbraw/zinc/36/77/61/185367761.db2.gz IGWSGAJSBPPBCF-INIZCTEOSA-N 1 1 319.836 4.026 50 0 DIAAMO Fc1cccc(F)c1CC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000072138840 191047499 /nfs/dbraw/zinc/04/74/99/191047499.db2.gz JPUYPWBNDPDDLF-ZDUSSCGKSA-N 1 1 322.424 4.266 50 0 DIAAMO Fc1cccc(F)c1CC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000072138840 191047501 /nfs/dbraw/zinc/04/75/01/191047501.db2.gz JPUYPWBNDPDDLF-ZDUSSCGKSA-N 1 1 322.424 4.266 50 0 DIAAMO C[N@@H+](Cc1cc(-c2ccccn2)no1)[C@H]1CCCc2ccccc21 ZINC000072143987 191050796 /nfs/dbraw/zinc/05/07/96/191050796.db2.gz LKDXRTJGTUQABC-FQEVSTJZSA-N 1 1 319.408 4.246 50 0 DIAAMO CC(C)[N@H+]1CCC[C@H](CN(C)Cc2cc(F)cc(Cl)c2)C1 ZINC000072158099 191061520 /nfs/dbraw/zinc/06/15/20/191061520.db2.gz OASJXYKEFVGGIY-CQSZACIVSA-N 1 1 312.860 4.031 50 0 DIAAMO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000253392352 186302810 /nfs/dbraw/zinc/30/28/10/186302810.db2.gz GNYOEYRLBWPPSI-OLZOCXBDSA-N 1 1 303.475 4.457 50 0 DIAAMO CCn1cc(C[N@H+]2CCCC[C@H]2c2cccc(F)c2)c(C)n1 ZINC000072453848 191170961 /nfs/dbraw/zinc/17/09/61/191170961.db2.gz UBPMSHHPPCSOKW-SFHVURJKSA-N 1 1 301.409 4.078 50 0 DIAAMO Cc1nc(C[NH+]2CCC(Sc3ccccc3C)CC2)co1 ZINC000072456980 191173108 /nfs/dbraw/zinc/17/31/08/191173108.db2.gz SWBFCSATGJXCKM-UHFFFAOYSA-N 1 1 302.443 4.048 50 0 DIAAMO Cc1ncsc1CC[N@H+](C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000072463758 191174358 /nfs/dbraw/zinc/17/43/58/191174358.db2.gz SOQYMHKAFLWDMS-AWEZNQCLSA-N 1 1 322.499 4.039 50 0 DIAAMO O=C(c1ccc(C[NH+]2CCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002514642 180929970 /nfs/dbraw/zinc/92/99/70/180929970.db2.gz RKPFAEXMXHLUSW-UHFFFAOYSA-N 1 1 320.219 4.430 50 0 DIAAMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000004264062 181089196 /nfs/dbraw/zinc/08/91/96/181089196.db2.gz FCQJRYIQFHLBRG-WMZOPIPTSA-N 1 1 319.489 4.204 50 0 DIAAMO Cc1cccc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000004351159 181101065 /nfs/dbraw/zinc/10/10/65/181101065.db2.gz IOBQRLGTNWEFBX-UHFFFAOYSA-N 1 1 308.469 4.091 50 0 DIAAMO CC(=O)c1cccc(OCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004842761 181162062 /nfs/dbraw/zinc/16/20/62/181162062.db2.gz HXBFXVRDQYUEQL-IYBDPMFKSA-N 1 1 303.446 4.026 50 0 DIAAMO COc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1C ZINC000004986130 181185178 /nfs/dbraw/zinc/18/51/78/181185178.db2.gz YULHBMCCRFFKAG-UHFFFAOYSA-N 1 1 311.400 4.432 50 0 DIAAMO CCC[N@H+](Cc1cc(Br)ccc1OC)CC1CC1 ZINC000004989116 181185885 /nfs/dbraw/zinc/18/58/85/181185885.db2.gz ZDVHQYYZRGCWPP-UHFFFAOYSA-N 1 1 312.251 4.080 50 0 DIAAMO Cc1ccc2c(C[N@@H+](C)Cc3ccccc3C)cc(=O)oc2c1C ZINC000006626435 181362310 /nfs/dbraw/zinc/36/23/10/181362310.db2.gz RXMRVUXDYLSHTD-UHFFFAOYSA-N 1 1 321.420 4.350 50 0 DIAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccccc1 ZINC000006650938 181365335 /nfs/dbraw/zinc/36/53/35/181365335.db2.gz KHSZUIKVHOQDPS-UHFFFAOYSA-N 1 1 311.816 4.124 50 0 DIAAMO C[C@@H]1C[C@H](Nc2cccc(CCC(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000095980643 193474516 /nfs/dbraw/zinc/47/45/16/193474516.db2.gz PIYIBLCEFXOEIF-DOMZBBRYSA-N 1 1 312.379 4.219 50 0 DIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc(OC)c1 ZINC000015837273 182020157 /nfs/dbraw/zinc/02/01/57/182020157.db2.gz LOIXQSUGQOKIOS-IBGZPJMESA-N 1 1 315.388 4.180 50 0 DIAAMO Clc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016383731 182042681 /nfs/dbraw/zinc/04/26/81/182042681.db2.gz UHQLEECZWKBMOF-UHFFFAOYSA-N 1 1 310.180 4.012 50 0 DIAAMO Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000020543024 182229519 /nfs/dbraw/zinc/22/95/19/182229519.db2.gz RUWCZIKKWPBTIF-OAHLLOKOSA-N 1 1 304.459 4.340 50 0 DIAAMO Fc1cc(F)cc(CC[N@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000020598095 182236542 /nfs/dbraw/zinc/23/65/42/182236542.db2.gz GFGOBANQJINKTG-SFHVURJKSA-N 1 1 302.368 4.130 50 0 DIAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1c(C)noc1CC ZINC000021720900 182286247 /nfs/dbraw/zinc/28/62/47/182286247.db2.gz MWELTVPWGHPLRR-MRXNPFEDSA-N 1 1 314.429 4.281 50 0 DIAAMO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)c1ccccc1 ZINC000023280802 182355841 /nfs/dbraw/zinc/35/58/41/182355841.db2.gz WWWWGISDIGKKEN-MRXNPFEDSA-N 1 1 310.224 4.159 50 0 DIAAMO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)c1ccccc1 ZINC000023280802 182355843 /nfs/dbraw/zinc/35/58/43/182355843.db2.gz WWWWGISDIGKKEN-MRXNPFEDSA-N 1 1 310.224 4.159 50 0 DIAAMO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1 ZINC000023280805 182355861 /nfs/dbraw/zinc/35/58/61/182355861.db2.gz WWWWGISDIGKKEN-INIZCTEOSA-N 1 1 310.224 4.159 50 0 DIAAMO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1 ZINC000023280805 182355863 /nfs/dbraw/zinc/35/58/63/182355863.db2.gz WWWWGISDIGKKEN-INIZCTEOSA-N 1 1 310.224 4.159 50 0 DIAAMO c1ccc([C@@H]2C[N@H+](CCc3ccccn3)Cc3ccccc32)cc1 ZINC000043661354 183377553 /nfs/dbraw/zinc/37/75/53/183377553.db2.gz MMDZMZHNXDFCIH-QFIPXVFZSA-N 1 1 314.432 4.272 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000057676254 184046046 /nfs/dbraw/zinc/04/60/46/184046046.db2.gz LFAPEZVNSKLWRI-INIZCTEOSA-N 1 1 320.436 4.488 50 0 DIAAMO CC[N@H+](CCc1ccccc1)Cc1noc(-c2cccc(C)c2)n1 ZINC000058174186 184084440 /nfs/dbraw/zinc/08/44/40/184084440.db2.gz IXHMPAAJQJYKHC-UHFFFAOYSA-N 1 1 321.424 4.110 50 0 DIAAMO CC[N@@H+](CCc1ccccc1)Cc1noc(-c2cccc(C)c2)n1 ZINC000058174186 184084441 /nfs/dbraw/zinc/08/44/41/184084441.db2.gz IXHMPAAJQJYKHC-UHFFFAOYSA-N 1 1 321.424 4.110 50 0 DIAAMO FC(F)(F)c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000059542706 184139602 /nfs/dbraw/zinc/13/96/02/184139602.db2.gz ODHZGSJONPTACX-QGZVFWFLSA-N 1 1 321.342 4.359 50 0 DIAAMO Cc1ncc(C[N@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)s1 ZINC000064007210 184291410 /nfs/dbraw/zinc/29/14/10/184291410.db2.gz NPERFXIWQQZBNW-QGZVFWFLSA-N 1 1 315.486 4.145 50 0 DIAAMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065394944 184334933 /nfs/dbraw/zinc/33/49/33/184334933.db2.gz IVZZYSVXVCHVEZ-MRXNPFEDSA-N 1 1 303.409 4.337 50 0 DIAAMO Cc1cnc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000065373020 184330661 /nfs/dbraw/zinc/33/06/61/184330661.db2.gz SEIPOAPUFNLROQ-AWEZNQCLSA-N 1 1 316.832 4.104 50 0 DIAAMO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C(F)(F)F)nc1 ZINC000065407264 184338810 /nfs/dbraw/zinc/33/88/10/184338810.db2.gz MSCNVCFSCAQEPF-AWEZNQCLSA-N 1 1 309.335 4.079 50 0 DIAAMO CC[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C(F)(F)F)nc1 ZINC000065407264 184338811 /nfs/dbraw/zinc/33/88/11/184338811.db2.gz MSCNVCFSCAQEPF-AWEZNQCLSA-N 1 1 309.335 4.079 50 0 DIAAMO CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2[nH]cc[nH+]2)o1 ZINC000065410020 184339987 /nfs/dbraw/zinc/33/99/87/184339987.db2.gz STYJKCHIYSMDFZ-UHFFFAOYSA-N 1 1 318.380 4.144 50 0 DIAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2cccc(C)c2C)cc1 ZINC000065530920 184361441 /nfs/dbraw/zinc/36/14/41/184361441.db2.gz RTGSXKHPDANXLR-UHFFFAOYSA-N 1 1 319.408 4.109 50 0 DIAAMO CC[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ncccc1C ZINC000065497321 184354747 /nfs/dbraw/zinc/35/47/47/184354747.db2.gz IUGVTXHBMKEBOY-HXUWFJFHSA-N 1 1 323.484 4.095 50 0 DIAAMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000181114268 525438366 /nfs/dbraw/zinc/43/83/66/525438366.db2.gz WDPJAUBQJWMPBF-GOSISDBHSA-N 1 1 322.456 4.136 50 0 DIAAMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000181114268 525438373 /nfs/dbraw/zinc/43/83/73/525438373.db2.gz 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COc1ccccc1-c1nc(C[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000012764232 563373032 /nfs/dbraw/zinc/37/30/32/563373032.db2.gz MSNFNPORSJPARE-UHFFFAOYSA-N 1 1 322.408 4.291 50 0 DIAAMO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013545798 563383472 /nfs/dbraw/zinc/38/34/72/563383472.db2.gz RYAUSSKQMZRMAI-ZACQAIPSSA-N 1 1 303.490 4.272 50 0 endogenous,in-man DIAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)c1c(C)[nH]c2ccccc21 ZINC000014241369 563398909 /nfs/dbraw/zinc/39/89/09/563398909.db2.gz JMCAYKHMGNWNNA-ZDUSSCGKSA-N 1 1 322.408 4.018 50 0 DIAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](C4CCC4)C3)ccc2c1 ZINC000014951417 563404618 /nfs/dbraw/zinc/40/46/18/563404618.db2.gz UFYOJSIAULQKBF-SFHVURJKSA-N 1 1 323.436 4.296 50 0 DIAAMO Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000015064601 563406170 /nfs/dbraw/zinc/40/61/70/563406170.db2.gz WDVVUEPEEYCOAM-PEAOBZDDSA-N 1 1 310.416 4.415 50 0 DIAAMO COc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000015261648 563408384 /nfs/dbraw/zinc/40/83/84/563408384.db2.gz NXWDZMUIBJUSAJ-FQEVSTJZSA-N 1 1 323.436 4.407 50 0 DIAAMO c1ccc(CC[N@@H+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC000006257881 563420484 /nfs/dbraw/zinc/42/04/84/563420484.db2.gz RIXJPVSKTOTKAR-UHFFFAOYSA-N 1 1 302.421 4.327 50 0 DIAAMO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cn(C)nc2C)s1 ZINC000033087106 563444037 /nfs/dbraw/zinc/44/40/37/563444037.db2.gz JNIIEZDQAFYMEV-INIZCTEOSA-N 1 1 303.475 4.216 50 0 DIAAMO CS[C@@H](C)CC[N@H+](Cc1nccs1)Cc1ccccc1 ZINC000055167401 563471893 /nfs/dbraw/zinc/47/18/93/563471893.db2.gz RHKZOGUVADTDKG-AWEZNQCLSA-N 1 1 306.500 4.287 50 0 DIAAMO CS[C@@H](C)CC[N@@H+](Cc1nccs1)Cc1ccccc1 ZINC000055167401 563471894 /nfs/dbraw/zinc/47/18/94/563471894.db2.gz RHKZOGUVADTDKG-AWEZNQCLSA-N 1 1 306.500 4.287 50 0 DIAAMO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1ccc(F)c(OC)c1F ZINC000055244948 563472722 /nfs/dbraw/zinc/47/27/22/563472722.db2.gz HDXOOIOCIOFUKI-ZDUSSCGKSA-N 1 1 320.383 4.169 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1ccc(F)c(OC)c1F 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c1coc([C@H]2CCCCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353862 563508926 /nfs/dbraw/zinc/50/89/26/563508926.db2.gz TWYBHMJJVNAKJQ-MRXNPFEDSA-N 1 1 323.396 4.447 50 0 DIAAMO c1coc([C@H]2CCCCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353862 563508929 /nfs/dbraw/zinc/50/89/29/563508929.db2.gz TWYBHMJJVNAKJQ-MRXNPFEDSA-N 1 1 323.396 4.447 50 0 DIAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000077377584 563509073 /nfs/dbraw/zinc/50/90/73/563509073.db2.gz QFLWSCNSHWETHD-SFHVURJKSA-N 1 1 323.440 4.383 50 0 DIAAMO Clc1ccc2nc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000077436266 563509905 /nfs/dbraw/zinc/50/99/05/563509905.db2.gz AEWIMEHWVBNPKY-JTQLQIEISA-N 1 1 318.833 4.057 50 0 DIAAMO CSc1ccc(C[N@H+]2CCCC[C@@H]2CCn2ccnc2)cc1 ZINC000077519260 563511708 /nfs/dbraw/zinc/51/17/08/563511708.db2.gz NTIMWRHCJVNKBJ-QGZVFWFLSA-N 1 1 315.486 4.050 50 0 DIAAMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000011287758 563518665 /nfs/dbraw/zinc/51/86/65/563518665.db2.gz OZUFEPICEVXWQB-IBGZPJMESA-N 1 1 323.436 4.493 50 0 DIAAMO CC[C@H]1C[N@@H+](C)CC[C@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000000080845 563524873 /nfs/dbraw/zinc/52/48/73/563524873.db2.gz OJLWUEFIEDXWFB-GHTZIAJQSA-N 1 1 323.436 4.101 50 0 DIAAMO FC(F)(F)c1ccccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000097370529 563538669 /nfs/dbraw/zinc/53/86/69/563538669.db2.gz UHWJBTCGLLPWOO-UHFFFAOYSA-N 1 1 313.363 4.098 50 0 DIAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000097522151 563540478 /nfs/dbraw/zinc/54/04/78/563540478.db2.gz JTDNEMNMOIDGFP-JXTAAOLFSA-N 1 1 312.413 4.150 50 0 DIAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)on1 ZINC000097631909 563541030 /nfs/dbraw/zinc/54/10/30/563541030.db2.gz FINGYHBEKCRCFT-INIZCTEOSA-N 1 1 312.413 4.034 50 0 DIAAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(C)c1C ZINC000011667864 563563663 /nfs/dbraw/zinc/56/36/63/563563663.db2.gz ULNCUAYJQDGESQ-FQEVSTJZSA-N 1 1 324.468 4.389 50 0 DIAAMO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccccc2Br)cn1 ZINC000044496382 563603013 /nfs/dbraw/zinc/60/30/13/563603013.db2.gz KYMVBAXMWPUNGB-NWDGAFQWSA-N 1 1 322.250 4.077 50 0 DIAAMO Cc1cc(N2Cc3ccccc3C2=[NH2+])ccc1Br ZINC000101087116 563650651 /nfs/dbraw/zinc/65/06/51/563650651.db2.gz OQWCXWBMHTYOHG-UHFFFAOYSA-N 1 1 301.187 4.103 50 0 DIAAMO COc1ccc2cc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)c(Cl)nc2c1 ZINC000013018514 563654844 /nfs/dbraw/zinc/65/48/44/563654844.db2.gz VYRKDMBDQWARKI-BETUJISGSA-N 1 1 318.848 4.375 50 0 DIAAMO c1ccc([C@@H]2C[N@H+](C[C@H]3CCCCO3)Cc3ccccc32)cc1 ZINC000108059202 563686786 /nfs/dbraw/zinc/68/67/86/563686786.db2.gz BIWSCYRZAJFDGR-CTNGQTDRSA-N 1 1 307.437 4.203 50 0 DIAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2csc(C(C)=O)c2)c1 ZINC000215424628 563705287 /nfs/dbraw/zinc/70/52/87/563705287.db2.gz XMNHSHDHAYZHJK-QGZVFWFLSA-N 1 1 315.438 4.296 50 0 DIAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2csc(C(C)=O)c2)c1 ZINC000215424628 563705289 /nfs/dbraw/zinc/70/52/89/563705289.db2.gz XMNHSHDHAYZHJK-QGZVFWFLSA-N 1 1 315.438 4.296 50 0 DIAAMO Fc1cccc(F)c1C[NH2+]Cc1ccc(Br)s1 ZINC000038018565 563737969 /nfs/dbraw/zinc/73/79/69/563737969.db2.gz NZGSBJBKEWPFFC-UHFFFAOYSA-N 1 1 318.186 4.079 50 0 DIAAMO Fc1ccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000241946720 563778114 /nfs/dbraw/zinc/77/81/14/563778114.db2.gz UNKNHESEVWMSHB-CQSZACIVSA-N 1 1 304.796 4.254 50 0 DIAAMO COc1ccc(C[N@@H+](C)Cc2cncn2C2CC2)c2ccccc12 ZINC000244831513 563779776 /nfs/dbraw/zinc/77/97/76/563779776.db2.gz UFDSUCQSGYDADW-UHFFFAOYSA-N 1 1 321.424 4.012 50 0 DIAAMO c1ccc([C@@H]2C[C@H](c3noc(C4CCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299786006 563806246 /nfs/dbraw/zinc/80/62/46/563806246.db2.gz LNOCEDLYHRIYCE-BBWFWOEESA-N 1 1 309.413 4.030 50 0 DIAAMO Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000084086313 563822417 /nfs/dbraw/zinc/82/24/17/563822417.db2.gz OHSCMQMLUMYSHR-LBPRGKRZSA-N 1 1 303.793 4.235 50 0 DIAAMO Cc1cc(C[N@H+]2CCC[C@@H]2Cc2cccc3ccccc32)on1 ZINC000084124234 563823964 /nfs/dbraw/zinc/82/39/64/563823964.db2.gz ZUOBLDPPXPELLS-GOSISDBHSA-N 1 1 306.409 4.343 50 0 DIAAMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(OCC(C)C)cc2)n1 ZINC000084268042 563825400 /nfs/dbraw/zinc/82/54/00/563825400.db2.gz YHCUWVPBPCVCGS-CQSZACIVSA-N 1 1 304.459 4.337 50 0 DIAAMO Clc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000084343478 563826455 /nfs/dbraw/zinc/82/64/55/563826455.db2.gz RJOWDVFJYDYGEY-HNNXBMFYSA-N 1 1 323.223 4.042 50 0 DIAAMO Clc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000084343478 563826456 /nfs/dbraw/zinc/82/64/56/563826456.db2.gz RJOWDVFJYDYGEY-HNNXBMFYSA-N 1 1 323.223 4.042 50 0 DIAAMO C[C@H]([NH2+]Cc1cccc(O)c1)c1nc(-c2ccccc2)cs1 ZINC000075134328 563860570 /nfs/dbraw/zinc/86/05/70/563860570.db2.gz GXOCCIUPMOEFGW-ZDUSSCGKSA-N 1 1 310.422 4.367 50 0 DIAAMO Cc1noc([C@@H](C)[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000229697851 563871143 /nfs/dbraw/zinc/87/11/43/563871143.db2.gz QHMWXPUTLJRIGJ-AUUYWEPGSA-N 1 1 319.408 4.087 50 0 DIAAMO Cc1noc([C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000229697851 563871146 /nfs/dbraw/zinc/87/11/46/563871146.db2.gz QHMWXPUTLJRIGJ-AUUYWEPGSA-N 1 1 319.408 4.087 50 0 DIAAMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2 ZINC000100068353 563889525 /nfs/dbraw/zinc/88/95/25/563889525.db2.gz GIJXKZJWITVLHI-ACDBMABISA-N 1 1 307.437 4.418 50 0 in-vitro DIAAMO Cc1ccccc1C[N@@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036099824 563893781 /nfs/dbraw/zinc/89/37/81/563893781.db2.gz ONXAVRXIXIQVSP-OAQYLSRUSA-N 1 1 311.469 4.057 50 0 DIAAMO CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104090 563894311 /nfs/dbraw/zinc/89/43/11/563894311.db2.gz CXUQRLXPMYEDDJ-SFHVURJKSA-N 1 1 319.395 4.128 50 0 DIAAMO Cc1ccc(C)c(C[N@H+](C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036103858 563894370 /nfs/dbraw/zinc/89/43/70/563894370.db2.gz WGJCMTKGQCDZDH-OAQYLSRUSA-N 1 1 311.469 4.117 50 0 DIAAMO CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104092 563894439 /nfs/dbraw/zinc/89/44/39/563894439.db2.gz CXUQRLXPMYEDDJ-GOSISDBHSA-N 1 1 319.395 4.128 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000036385104 563897565 /nfs/dbraw/zinc/89/75/65/563897565.db2.gz IJFDLVIKCALMSY-OAHLLOKOSA-N 1 1 318.420 4.106 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000036385104 563897566 /nfs/dbraw/zinc/89/75/66/563897566.db2.gz IJFDLVIKCALMSY-OAHLLOKOSA-N 1 1 318.420 4.106 50 0 DIAAMO CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006871699 563897635 /nfs/dbraw/zinc/89/76/35/563897635.db2.gz VPVLOZWHQSGVHW-UHFFFAOYSA-N 1 1 318.355 4.268 50 0 DIAAMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000170126275 563903930 /nfs/dbraw/zinc/90/39/30/563903930.db2.gz RSNXFQRUPPEWDO-KRWDZBQOSA-N 1 1 309.438 4.337 50 0 DIAAMO CSc1ccccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000170621803 563908565 /nfs/dbraw/zinc/90/85/65/563908565.db2.gz SFQBZHOGQOIZHH-UHFFFAOYSA-N 1 1 306.475 4.002 50 0 DIAAMO c1ccc(-c2nnc(C[N@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000007650874 563917665 /nfs/dbraw/zinc/91/76/65/563917665.db2.gz SSKZUZMVVLCBCK-UHFFFAOYSA-N 1 1 317.392 4.026 50 0 DIAAMO c1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000007650874 563917666 /nfs/dbraw/zinc/91/76/66/563917666.db2.gz SSKZUZMVVLCBCK-UHFFFAOYSA-N 1 1 317.392 4.026 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000095947110 563932167 /nfs/dbraw/zinc/93/21/67/563932167.db2.gz CXVJIZCYDUPJAF-ZDUSSCGKSA-N 1 1 324.449 4.167 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000095947110 563932168 /nfs/dbraw/zinc/93/21/68/563932168.db2.gz CXVJIZCYDUPJAF-ZDUSSCGKSA-N 1 1 324.449 4.167 50 0 DIAAMO COc1cccc2c1CC[C@@H]2[NH2+]Cc1csc(C(C)C)n1 ZINC000095965884 563932767 /nfs/dbraw/zinc/93/27/67/563932767.db2.gz UTWMHLRRMUGMSA-HNNXBMFYSA-N 1 1 302.443 4.052 50 0 DIAAMO C[C@@H]1CCCC[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000096012918 563934878 /nfs/dbraw/zinc/93/48/78/563934878.db2.gz OXFBZBMDWQSVFE-LLVKDONJSA-N 1 1 308.397 4.463 50 0 DIAAMO COc1ccc(C[N@H+](C)Cn2c3ccccc3oc2=S)cc1 ZINC000002633601 563939839 /nfs/dbraw/zinc/93/98/39/563939839.db2.gz CJMUGHJFJHKABF-UHFFFAOYSA-N 1 1 314.410 4.062 50 0 DIAAMO COc1ccc(C[N@@H+](C)Cn2c3ccccc3oc2=S)cc1 ZINC000002633601 563939841 /nfs/dbraw/zinc/93/98/41/563939841.db2.gz CJMUGHJFJHKABF-UHFFFAOYSA-N 1 1 314.410 4.062 50 0 DIAAMO C[N@H+](Cc1nnc(-c2ccccc2)o1)[C@H]1CCCc2ccccc21 ZINC000032512299 563945711 /nfs/dbraw/zinc/94/57/11/563945711.db2.gz WTIUZIKYZLCUBC-SFHVURJKSA-N 1 1 319.408 4.246 50 0 DIAAMO C[N@@H+](Cc1nnc(-c2ccccc2)o1)[C@H]1CCCc2ccccc21 ZINC000032512299 563945713 /nfs/dbraw/zinc/94/57/13/563945713.db2.gz WTIUZIKYZLCUBC-SFHVURJKSA-N 1 1 319.408 4.246 50 0 DIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(C)c1 ZINC000008267760 563947440 /nfs/dbraw/zinc/94/74/40/563947440.db2.gz YIAGVNLOFHZFER-ZWKOTPCHSA-N 1 1 314.473 4.062 50 0 DIAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2ccc(C(C)=O)cc2c1=O ZINC000008717265 563949955 /nfs/dbraw/zinc/94/99/55/563949955.db2.gz KKWKGDNLPMPMAQ-UHFFFAOYSA-N 1 1 314.429 4.073 50 0 DIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(C)c(C)o2)cc1 ZINC000040158339 563951648 /nfs/dbraw/zinc/95/16/48/563951648.db2.gz YONMCUHZZSEBCY-GOSISDBHSA-N 1 1 314.429 4.417 50 0 DIAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(C)c(C)o2)cc1 ZINC000040158339 563951649 /nfs/dbraw/zinc/95/16/49/563951649.db2.gz YONMCUHZZSEBCY-GOSISDBHSA-N 1 1 314.429 4.417 50 0 DIAAMO Cc1ccc(-c2noc([C@@H](C)[N@H+](C)CCC(C)C)n2)cc1F ZINC000069350374 563952407 /nfs/dbraw/zinc/95/24/07/563952407.db2.gz VNLKIRSVMHHLQJ-CYBMUJFWSA-N 1 1 305.397 4.223 50 0 DIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C(C)C)CC2 ZINC000009836659 563957725 /nfs/dbraw/zinc/95/77/25/563957725.db2.gz HUHFOHWNMVLOFB-HXUWFJFHSA-N 1 1 311.425 4.060 50 0 DIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C(C)C)CC2 ZINC000009836658 563957765 /nfs/dbraw/zinc/95/77/65/563957765.db2.gz HUHFOHWNMVLOFB-FQEVSTJZSA-N 1 1 311.425 4.060 50 0 DIAAMO C[C@@H]1CCC[N@@H+](CCCOc2cc(Cl)ccc2Cl)C1 ZINC000002822885 1040114289 /nfs/dbraw/zinc/11/42/89/1040114289.db2.gz IBVXGCVRFYPIRL-GFCCVEGCSA-N 1 1 302.245 4.494 50 0 DIAAMO CCOc1cccc(OCCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000002822034 1040115882 /nfs/dbraw/zinc/11/58/82/1040115882.db2.gz IPLAILXHSYIYOC-UHFFFAOYSA-N 1 1 313.441 4.376 50 0 DIAAMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1ccccc1C(F)(F)F ZINC000215962651 1044342437 /nfs/dbraw/zinc/34/24/37/1044342437.db2.gz GATBSFDTCAAUJR-AWEZNQCLSA-N 1 1 301.352 4.096 50 0 DIAAMO c1cc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)co1 ZINC000014885116 1045558657 /nfs/dbraw/zinc/55/86/57/1045558657.db2.gz JQEWCUKOQCEXTQ-HXUWFJFHSA-N 1 1 305.377 4.416 50 0 DIAAMO c1cc(C[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)co1 ZINC000014885116 1045558667 /nfs/dbraw/zinc/55/86/67/1045558667.db2.gz JQEWCUKOQCEXTQ-HXUWFJFHSA-N 1 1 305.377 4.416 50 0 DIAAMO CCC[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000020865522 1045581101 /nfs/dbraw/zinc/58/11/01/1045581101.db2.gz YLZKLSKGAWXIKH-CQSZACIVSA-N 1 1 303.837 4.320 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1Cl ZINC000248026281 1046528775 /nfs/dbraw/zinc/52/87/75/1046528775.db2.gz MFCPDRXLSFEJIH-FVQBIDKESA-N 1 1 314.256 4.291 50 0 DIAAMO C[N@@H+]1CCCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 ZINC000075567349 1046925089 /nfs/dbraw/zinc/92/50/89/1046925089.db2.gz ZBRONFLGNIAVTF-UHFFFAOYSA-N 1 1 312.363 4.287 50 0 DIAAMO C[N@H+]1CCCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 ZINC000075567349 1046925103 /nfs/dbraw/zinc/92/51/03/1046925103.db2.gz ZBRONFLGNIAVTF-UHFFFAOYSA-N 1 1 312.363 4.287 50 0 DIAAMO CC[C@H]1C[N@@H+](Cc2sccc2C)Cc2cc(OC)ccc2O1 ZINC000067433562 1047273261 /nfs/dbraw/zinc/27/32/61/1047273261.db2.gz BKHLYRGAQCGVNI-HNNXBMFYSA-N 1 1 317.454 4.238 50 0 DIAAMO CC[N@@H+](Cc1cc(C)nc2ccccc12)[C@@H]1CCOC(C)(C)C1 ZINC000810044111 1048224542 /nfs/dbraw/zinc/22/45/42/1048224542.db2.gz XVANFDAUGXMFCZ-QGZVFWFLSA-N 1 1 312.457 4.323 50 0 DIAAMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(OC)c2F)s1 ZINC000192955867 1051013249 /nfs/dbraw/zinc/01/32/49/1051013249.db2.gz HCQQPQPVWGXHDO-LBPRGKRZSA-N 1 1 322.449 4.355 50 0 DIAAMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(OC)c2F)s1 ZINC000192955867 1051013263 /nfs/dbraw/zinc/01/32/63/1051013263.db2.gz HCQQPQPVWGXHDO-LBPRGKRZSA-N 1 1 322.449 4.355 50 0 DIAAMO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cccc(F)c1F ZINC000181344108 1053190740 /nfs/dbraw/zinc/19/07/40/1053190740.db2.gz CBXDBHNLQGRBSY-GFCCVEGCSA-N 1 1 320.383 4.388 50 0 DIAAMO Clc1ccccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000011662887 1056572236 /nfs/dbraw/zinc/57/22/36/1056572236.db2.gz ANYCTSLDRAPZGR-KRWDZBQOSA-N 1 1 300.833 4.417 50 0 DIAAMO CCC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000011870829 1056791035 /nfs/dbraw/zinc/79/10/35/1056791035.db2.gz BKVOKHAUALWBIT-UHFFFAOYSA-N 1 1 317.816 4.317 50 0 DIAAMO CCCC[C@H]1C[N@@H+](Cc2cccc(C)n2)Cc2ccccc2O1 ZINC000012152047 1056986437 /nfs/dbraw/zinc/98/64/37/1056986437.db2.gz ZGAGXPARIIUOOR-IBGZPJMESA-N 1 1 310.441 4.343 50 0 DIAAMO CC(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012244378 1057000874 /nfs/dbraw/zinc/00/08/74/1057000874.db2.gz MOXQXAHYQGQFHV-CYBMUJFWSA-N 1 1 319.399 4.190 50 0 DIAAMO CCC[N@H+]1CCC[C@@H](Nc2ccc3cc(Cl)ccc3n2)C1 ZINC001529155620 1058626193 /nfs/dbraw/zinc/62/61/93/1058626193.db2.gz WNXPYQWMCVHGNZ-OAHLLOKOSA-N 1 1 303.837 4.175 50 0 DIAAMO Cc1ccc2c(C)cc(N[C@H](C)CCn3cccn3)[nH+]c2c1C ZINC001529161472 1058628686 /nfs/dbraw/zinc/62/86/86/1058628686.db2.gz KGSOUESTCLHVKC-OAHLLOKOSA-N 1 1 308.429 4.247 50 0 DIAAMO COc1ccnc(C[N@@H+](CCc2c[nH]c3ccccc23)C(C)C)c1 ZINC001529188770 1058634368 /nfs/dbraw/zinc/63/43/68/1058634368.db2.gz CGJFGQDSOOKOQY-UHFFFAOYSA-N 1 1 323.440 4.025 50 0 DIAAMO Cc1ncsc1C[N@@H+](C)CCCOc1ccccc1Cl ZINC001529196485 1058636663 /nfs/dbraw/zinc/63/66/63/1058636663.db2.gz AURKDHNHXMXJBG-UHFFFAOYSA-N 1 1 310.850 4.006 50 0 DIAAMO C[N@@H+](CCCOc1ccc(F)cc1)[C@@H](c1ccccn1)C1CC1 ZINC001506414358 1063507342 /nfs/dbraw/zinc/50/73/42/1063507342.db2.gz YHSRQWRVCMVTJL-LJQANCHMSA-N 1 1 314.404 4.073 50 0 DIAAMO COc1cccc(F)c1C[N@H+](Cc1cccnc1)C(C)(C)C ZINC001506408292 1063507525 /nfs/dbraw/zinc/50/75/25/1063507525.db2.gz DGWUPQVRPVHQAF-UHFFFAOYSA-N 1 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181137869 /nfs/dbraw/zinc/13/78/69/181137869.db2.gz QFPFDWPSTZPFOF-UHFFFAOYSA-N 1 1 303.405 4.407 50 0 DIAAMO C[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000004745827 181146985 /nfs/dbraw/zinc/14/69/85/181146985.db2.gz SMHBTZLEMGRGHG-HNNXBMFYSA-N 1 1 306.881 4.036 50 0 DIAAMO Cc1cc(C)c(OCC[N@H+](C)Cc2ccccc2)c(Cl)c1 ZINC000004914455 181172130 /nfs/dbraw/zinc/17/21/30/181172130.db2.gz LOLXGYFWJUPJPV-UHFFFAOYSA-N 1 1 303.833 4.468 50 0 DIAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006542940 181352891 /nfs/dbraw/zinc/35/28/91/181352891.db2.gz KENNCAPANAJUCK-KRWDZBQOSA-N 1 1 322.452 4.090 50 0 DIAAMO Cc1cccc([C@H]2CCCC[N@H+]2Cc2cnc3ncccn23)c1C ZINC000093684309 193288592 /nfs/dbraw/zinc/28/85/92/193288592.db2.gz JJQALUKIRLHGEQ-LJQANCHMSA-N 1 1 320.440 4.073 50 0 DIAAMO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1csc(C2CC2)n1 ZINC000096477486 193662458 /nfs/dbraw/zinc/66/24/58/193662458.db2.gz SALIYRKNOREADY-INIZCTEOSA-N 1 1 314.454 4.332 50 0 DIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000015837455 182020644 /nfs/dbraw/zinc/02/06/44/182020644.db2.gz MYRLQLZYFUSSTQ-IBGZPJMESA-N 1 1 315.388 4.180 50 0 DIAAMO Brc1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000019537259 182129326 /nfs/dbraw/zinc/12/93/26/182129326.db2.gz IUZFVDFXFVFQAF-UHFFFAOYSA-N 1 1 302.215 4.007 50 0 DIAAMO Brc1ccccc1C[N@H+]1CCc2ccccc2C1 ZINC000019537259 182129328 /nfs/dbraw/zinc/12/93/28/182129328.db2.gz IUZFVDFXFVFQAF-UHFFFAOYSA-N 1 1 302.215 4.007 50 0 DIAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000019771289 182145582 /nfs/dbraw/zinc/14/55/82/182145582.db2.gz SQSJKDBFOPDVHW-LAUBAEHRSA-N 1 1 306.453 4.022 50 0 DIAAMO Cc1noc(C)c1C[N@H+]1CCCC[C@H]1CCc1cccs1 ZINC000020543027 182229088 /nfs/dbraw/zinc/22/90/88/182229088.db2.gz RUWCZIKKWPBTIF-HNNXBMFYSA-N 1 1 304.459 4.340 50 0 DIAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000021719968 182285949 /nfs/dbraw/zinc/28/59/49/182285949.db2.gz SDOLFJLQWSTLMO-QGZVFWFLSA-N 1 1 322.412 4.019 50 0 DIAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720049 182286521 /nfs/dbraw/zinc/28/65/21/182286521.db2.gz KTIDQJQYIDEZHU-GOSISDBHSA-N 1 1 322.412 4.019 50 0 DIAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720049 182286522 /nfs/dbraw/zinc/28/65/22/182286522.db2.gz KTIDQJQYIDEZHU-GOSISDBHSA-N 1 1 322.412 4.019 50 0 DIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2CC)cc1 ZINC000021720920 182286594 /nfs/dbraw/zinc/28/65/94/182286594.db2.gz XLPSFYAFRNXDSV-QGZVFWFLSA-N 1 1 314.429 4.281 50 0 DIAAMO CC(C)=CCC[C@H](C)C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC000022044960 182306306 /nfs/dbraw/zinc/30/63/06/182306306.db2.gz YMEHPXXLAHOSLR-IBGZPJMESA-N 1 1 302.506 4.433 50 0 DIAAMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)c1ccccc1 ZINC000023280106 182355740 /nfs/dbraw/zinc/35/57/40/182355740.db2.gz NPKAJJMXYLLONV-HNNXBMFYSA-N 1 1 310.224 4.159 50 0 DIAAMO CC(C)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000023128745 182350163 /nfs/dbraw/zinc/35/01/63/182350163.db2.gz ZAHSKLVLDOWCHM-AWEZNQCLSA-N 1 1 319.399 4.191 50 0 DIAAMO COc1cccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1OC ZINC000040007515 183027380 /nfs/dbraw/zinc/02/73/80/183027380.db2.gz RORIPQZPHLKCDV-CYBMUJFWSA-N 1 1 303.377 4.036 50 0 DIAAMO CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049891 183029963 /nfs/dbraw/zinc/02/99/63/183029963.db2.gz JNKMKBGVDPXLPW-HXUWFJFHSA-N 1 1 322.452 4.368 50 0 DIAAMO CC[C@@H](C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000043071788 183334284 /nfs/dbraw/zinc/33/42/84/183334284.db2.gz VPXALHNJSVVHHG-ZBFHGGJFSA-N 1 1 315.436 4.441 50 0 DIAAMO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(O)c2)cc1 ZINC000102410640 193885044 /nfs/dbraw/zinc/88/50/44/193885044.db2.gz WXHLGCIJXISKBE-REPLKXPHSA-N 1 1 323.436 4.311 50 0 DIAAMO CCCCN(C(=O)c1ccc(C[NH+](C)C)o1)C1CCCCCC1 ZINC000055344043 183981494 /nfs/dbraw/zinc/98/14/94/183981494.db2.gz QYYDKCBRSOUGEK-UHFFFAOYSA-N 1 1 320.477 4.306 50 0 DIAAMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)co2)cc1 ZINC000058046519 184070568 /nfs/dbraw/zinc/07/05/68/184070568.db2.gz NDBSVUOAQKGTIY-QGZVFWFLSA-N 1 1 311.360 4.146 50 0 DIAAMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)co2)cc1 ZINC000058046519 184070569 /nfs/dbraw/zinc/07/05/69/184070569.db2.gz NDBSVUOAQKGTIY-QGZVFWFLSA-N 1 1 311.360 4.146 50 0 DIAAMO C[NH+](C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000057945277 184063776 /nfs/dbraw/zinc/06/37/76/184063776.db2.gz WPRWLNGREONOHC-HNNXBMFYSA-N 1 1 323.223 4.235 50 0 DIAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1)C(C)C ZINC000058244673 184093946 /nfs/dbraw/zinc/09/39/46/184093946.db2.gz JBGFAOLJIJCUMV-UHFFFAOYSA-N 1 1 310.441 4.478 50 0 DIAAMO Cc1noc(C)c1C[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000058356900 184108101 /nfs/dbraw/zinc/10/81/01/184108101.db2.gz WMOZNOWQBSIDNL-UHFFFAOYSA-N 1 1 323.396 4.111 50 0 DIAAMO Cc1noc(C)c1C[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000058356900 184108103 /nfs/dbraw/zinc/10/81/03/184108103.db2.gz WMOZNOWQBSIDNL-UHFFFAOYSA-N 1 1 323.396 4.111 50 0 DIAAMO CCOc1cc(C[N@@H+](C)Cc2ccccc2)ccc1OC(F)F ZINC000058754301 184127719 /nfs/dbraw/zinc/12/77/19/184127719.db2.gz LFBZKNPRAREZBV-UHFFFAOYSA-N 1 1 321.367 4.319 50 0 DIAAMO FC(F)(F)CCC[N@@H+]1CCO[C@H](CCCc2ccccc2)C1 ZINC000065370201 184329293 /nfs/dbraw/zinc/32/92/93/184329293.db2.gz KABJRJLBWTZLFC-MRXNPFEDSA-N 1 1 315.379 4.053 50 0 DIAAMO FC(F)(F)CCC[N@H+]1CCO[C@H](CCCc2ccccc2)C1 ZINC000065370201 184329295 /nfs/dbraw/zinc/32/92/95/184329295.db2.gz KABJRJLBWTZLFC-MRXNPFEDSA-N 1 1 315.379 4.053 50 0 DIAAMO CC/C=C\CCc1c(-c2ccccc2)ncn1C[C@H]1CC[N@@H+](C)C1 ZINC000065396846 184336048 /nfs/dbraw/zinc/33/60/48/184336048.db2.gz RZLJEPYFGUSSIL-XDXAGZTOSA-N 1 1 323.484 4.401 50 0 DIAAMO c1c(C[N@@H+]2CCCC[C@H]2c2cccnc2)onc1-c1ccccc1 ZINC000216488983 257273559 /nfs/dbraw/zinc/27/35/59/257273559.db2.gz PBADSUWMZUVZKR-FQEVSTJZSA-N 1 1 319.408 4.464 50 0 DIAAMO c1c(C[N@H+]2CCCC[C@H]2c2cccnc2)onc1-c1ccccc1 ZINC000216488983 257273560 /nfs/dbraw/zinc/27/35/60/257273560.db2.gz PBADSUWMZUVZKR-FQEVSTJZSA-N 1 1 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CC[NH+](CC)CCCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000071788873 563458942 /nfs/dbraw/zinc/45/89/42/563458942.db2.gz MQOFTYLTYOIKJL-OAQYLSRUSA-N 1 1 310.485 4.292 50 0 DIAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2Br)on1 ZINC000052009751 563469020 /nfs/dbraw/zinc/46/90/20/563469020.db2.gz IIVWDCKLKNMERT-CQSZACIVSA-N 1 1 321.218 4.083 50 0 DIAAMO COc1ccc(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)cc1O ZINC000055271674 563473588 /nfs/dbraw/zinc/47/35/88/563473588.db2.gz ZZJIPCHINJULGE-AWEZNQCLSA-N 1 1 303.402 4.041 50 0 DIAAMO CC[C@H](CO)[N@@H+](C/C(C)=C/c1ccco1)Cc1ccsc1 ZINC000055270251 563474037 /nfs/dbraw/zinc/47/40/37/563474037.db2.gz BDPUIRRMUBEFDD-SCZPIIQISA-N 1 1 305.443 4.018 50 0 DIAAMO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000095427061 563477786 /nfs/dbraw/zinc/47/77/86/563477786.db2.gz ZTAAURZINKAKGE-GHMZBOCLSA-N 1 1 300.793 4.023 50 0 DIAAMO C[C@@H]([NH2+][C@@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 ZINC000096478830 563484567 /nfs/dbraw/zinc/48/45/67/563484567.db2.gz 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C[N@@H+](CC[C@H]1CCCCO1)Cc1ccccc1C(F)(F)F ZINC000215962699 1044342355 /nfs/dbraw/zinc/34/23/55/1044342355.db2.gz GATBSFDTCAAUJR-CQSZACIVSA-N 1 1 301.352 4.096 50 0 DIAAMO CC(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000019731744 1045579977 /nfs/dbraw/zinc/57/99/77/1045579977.db2.gz CJTFJCDGPSXKKJ-CYBMUJFWSA-N 1 1 319.399 4.190 50 0 DIAAMO Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCC[N@H+](C)C1 ZINC000075567342 1046923504 /nfs/dbraw/zinc/92/35/04/1046923504.db2.gz KLKPVGIQBVJUJN-UHFFFAOYSA-N 1 1 304.437 4.376 50 0 DIAAMO C[N@H+](Cc1ccncc1Cl)[C@H](c1ccc(F)cc1)C1CC1 ZINC000075765539 1047593266 /nfs/dbraw/zinc/59/32/66/1047593266.db2.gz ZWOWWHFYZCWGNR-KRWDZBQOSA-N 1 1 304.796 4.457 50 0 DIAAMO C[N@@H+](Cc1ccncc1Cl)[C@H](c1ccc(F)cc1)C1CC1 ZINC000075765539 1047593268 /nfs/dbraw/zinc/59/32/68/1047593268.db2.gz ZWOWWHFYZCWGNR-KRWDZBQOSA-N 1 1 304.796 4.457 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1ccc2cccc(O)c2n1 ZINC000055270810 1047997611 /nfs/dbraw/zinc/99/76/11/1047997611.db2.gz 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/nfs/dbraw/zinc/32/07/38/1051320738.db2.gz PKJVUCHWUIOQBM-IBGZPJMESA-N 1 1 323.484 4.371 50 0 DIAAMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)o1 ZINC000678721463 1052618763 /nfs/dbraw/zinc/61/87/63/1052618763.db2.gz HICULKUAZWPVBP-LSDHHAIUSA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000678721463 1052618770 /nfs/dbraw/zinc/61/87/70/1052618770.db2.gz HICULKUAZWPVBP-LSDHHAIUSA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000678721463 1052618777 /nfs/dbraw/zinc/61/87/77/1052618777.db2.gz HICULKUAZWPVBP-LSDHHAIUSA-N 1 1 324.428 4.108 50 0 DIAAMO c1sc(C2CCCC2)nc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000367068827 1052835857 /nfs/dbraw/zinc/83/58/57/1052835857.db2.gz RQKAQSKEWBQLAP-UHFFFAOYSA-N 1 1 320.502 4.193 50 0 DIAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3)c(C)o2)cc1 ZINC000011934395 1056874329 /nfs/dbraw/zinc/87/43/29/1056874329.db2.gz PJGRRMBKVDOZLW-UHFFFAOYSA-N 1 1 322.408 4.291 50 0 DIAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3)c(C)o2)cc1 ZINC000011934395 1056874335 /nfs/dbraw/zinc/87/43/35/1056874335.db2.gz PJGRRMBKVDOZLW-UHFFFAOYSA-N 1 1 322.408 4.291 50 0 DIAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1 ZINC000012197922 1056983980 /nfs/dbraw/zinc/98/39/80/1056983980.db2.gz PISAIEFDMSGNQC-VFQAQYNWSA-N 1 1 315.438 4.258 50 0 DIAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000012197922 1056983986 /nfs/dbraw/zinc/98/39/86/1056983986.db2.gz PISAIEFDMSGNQC-VFQAQYNWSA-N 1 1 315.438 4.258 50 0 DIAAMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000012315786 1057020959 /nfs/dbraw/zinc/02/09/59/1057020959.db2.gz NVSZLKCQPCNLJZ-BETUJISGSA-N 1 1 319.836 4.077 50 0 DIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000012315786 1057020966 /nfs/dbraw/zinc/02/09/66/1057020966.db2.gz NVSZLKCQPCNLJZ-BETUJISGSA-N 1 1 319.836 4.077 50 0 DIAAMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000823383222 1057828280 /nfs/dbraw/zinc/82/82/80/1057828280.db2.gz JMHUIFUFTSTETP-QGZVFWFLSA-N 1 1 316.832 4.471 50 0 DIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000823383222 1057828285 /nfs/dbraw/zinc/82/82/85/1057828285.db2.gz JMHUIFUFTSTETP-QGZVFWFLSA-N 1 1 316.832 4.471 50 0 DIAAMO CCC[N@H+]1CCC[C@H](Nc2ccc3cc(Cl)ccc3n2)C1 ZINC001529155619 1058625033 /nfs/dbraw/zinc/62/50/33/1058625033.db2.gz WNXPYQWMCVHGNZ-HNNXBMFYSA-N 1 1 303.837 4.175 50 0 DIAAMO Cc1cnc(C[N@@H+](Cc2ccsc2)C2CCCCC2)cn1 ZINC001506397638 1063508542 /nfs/dbraw/zinc/50/85/42/1063508542.db2.gz FQIMAOPZKYYAQQ-UHFFFAOYSA-N 1 1 301.459 4.181 50 0 DIAAMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H](c1ccccn1)C1CC1 ZINC001506414354 1063508822 /nfs/dbraw/zinc/50/88/22/1063508822.db2.gz YHSRQWRVCMVTJL-IBGZPJMESA-N 1 1 314.404 4.073 50 0 DIAAMO CC(C)Cc1cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)on1 ZINC001506397217 1063508904 /nfs/dbraw/zinc/50/89/04/1063508904.db2.gz JNFRYEAHJCBVEB-UHFFFAOYSA-N 1 1 312.335 4.182 50 0 DIAAMO Cc1ccsc1CN(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC001506418644 1063511358 /nfs/dbraw/zinc/51/13/58/1063511358.db2.gz ULVXCZNAVWHVTH-UHFFFAOYSA-N 1 1 320.527 4.346 50 0 DIAAMO COc1cc2c(cc1OC)[C@@H]1C[C@@H](c3ccccc3)CC[N@H+]1CC2 ZINC000095561612 185379906 /nfs/dbraw/zinc/37/99/06/185379906.db2.gz SPYSWTOTYSJXHH-LPHOPBHVSA-N 1 1 323.436 4.181 50 0 DIAAMO Cc1cnc([C@@H](C)[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000328596290 231235236 /nfs/dbraw/zinc/23/52/36/231235236.db2.gz CMJUEQBEJRVHHU-CQSZACIVSA-N 1 1 313.832 4.289 50 0 DIAAMO Cc1cnc([C@@H](C)[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000328596290 231235237 /nfs/dbraw/zinc/23/52/37/231235237.db2.gz CMJUEQBEJRVHHU-CQSZACIVSA-N 1 1 313.832 4.289 50 0 DIAAMO Cc1ccsc1[C@H](C)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000095423417 185361249 /nfs/dbraw/zinc/36/12/49/185361249.db2.gz VHDKTQZLKYZWGV-HNNXBMFYSA-N 1 1 311.454 4.152 50 0 DIAAMO CC(C)[C@H](C)[N@@H+](Cc1cnc(-c2cccnc2)s1)C1CC1 ZINC000095453806 185369544 /nfs/dbraw/zinc/36/95/44/185369544.db2.gz CMMWCJRDQCWFCG-ZDUSSCGKSA-N 1 1 301.459 4.214 50 0 DIAAMO C[C@@H]1CCC[C@@H]1[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000095457060 185370395 /nfs/dbraw/zinc/37/03/95/185370395.db2.gz VFVQTNJXXPSXBA-KCXAZCMYSA-N 1 1 324.262 4.011 50 0 DIAAMO COC[C@H]([NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 ZINC000097017184 185397545 /nfs/dbraw/zinc/39/75/45/185397545.db2.gz QDQIJUZWMADYLC-AAEUAGOBSA-N 1 1 322.474 4.380 50 0 DIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc(Cl)c1 ZINC000072115538 191038009 /nfs/dbraw/zinc/03/80/09/191038009.db2.gz DDOBEKUQEFUIRQ-MRXNPFEDSA-N 1 1 323.868 4.116 50 0 DIAAMO Cn1c(C[N@H+]2CCCC[C@H]2c2ccccn2)cc2cc(F)ccc21 ZINC000072144317 191051545 /nfs/dbraw/zinc/05/15/45/191051545.db2.gz AKNBBGXHCILCJG-FQEVSTJZSA-N 1 1 323.415 4.440 50 0 DIAAMO c1coc([C@H]2CCCCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000072145037 191051863 /nfs/dbraw/zinc/05/18/63/191051863.db2.gz OLQIVAAHAOXEMY-MRXNPFEDSA-N 1 1 311.385 4.380 50 0 DIAAMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000253392353 186303027 /nfs/dbraw/zinc/30/30/27/186303027.db2.gz GNYOEYRLBWPPSI-QWHCGFSZSA-N 1 1 303.475 4.457 50 0 DIAAMO C[N@H+](Cc1ccoc1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072407237 191152881 /nfs/dbraw/zinc/15/28/81/191152881.db2.gz OZWYRFSKVAXZBL-UHFFFAOYSA-N 1 1 307.353 4.048 50 0 DIAAMO C[N@@H+](Cc1ccoc1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072407237 191152884 /nfs/dbraw/zinc/15/28/84/191152884.db2.gz OZWYRFSKVAXZBL-UHFFFAOYSA-N 1 1 307.353 4.048 50 0 DIAAMO Cc1ccccc1[C@@H]1CCC[N@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000072410926 191154438 /nfs/dbraw/zinc/15/44/38/191154438.db2.gz KCIUMCGCVWQSDC-QGZVFWFLSA-N 1 1 309.457 4.288 50 0 DIAAMO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072474706 191176967 /nfs/dbraw/zinc/17/69/67/191176967.db2.gz ABLGPUXUPUUJEC-OAHLLOKOSA-N 1 1 315.417 4.409 50 0 DIAAMO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072474706 191176970 /nfs/dbraw/zinc/17/69/70/191176970.db2.gz ABLGPUXUPUUJEC-OAHLLOKOSA-N 1 1 315.417 4.409 50 0 DIAAMO CC[C@H](C)c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000003422375 181017493 /nfs/dbraw/zinc/01/74/93/181017493.db2.gz BCSJHSXWKBQZRC-INIZCTEOSA-N 1 1 310.441 4.271 50 0 DIAAMO CC[C@H](C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000003422375 181017494 /nfs/dbraw/zinc/01/74/94/181017494.db2.gz BCSJHSXWKBQZRC-INIZCTEOSA-N 1 1 310.441 4.271 50 0 DIAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1cc2ccccc2o1 ZINC000003648552 181043626 /nfs/dbraw/zinc/04/36/26/181043626.db2.gz LSYYJHKULOPOHB-HNNXBMFYSA-N 1 1 323.392 4.110 50 0 DIAAMO CCC[N@H+]1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000003786466 181046310 /nfs/dbraw/zinc/04/63/10/181046310.db2.gz YEHCICAEULNIGD-MZMPZRCHSA-N 1 1 314.498 4.271 50 0 world DIAAMO O=C(Nc1cccc(Cl)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004028979 181064272 /nfs/dbraw/zinc/06/42/72/181064272.db2.gz SPNRTVCVACNDKC-XJKSGUPXSA-N 1 1 322.836 4.153 50 0 biogenic DIAAMO C[C@@H]1C[C@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)C[N@H+]1C ZINC000004011832 181062317 /nfs/dbraw/zinc/06/23/17/181062317.db2.gz ADUJECNUNSENPU-CBGDNZLLSA-N 1 1 323.436 4.099 50 0 DIAAMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000004264061 181089748 /nfs/dbraw/zinc/08/97/48/181089748.db2.gz FCQJRYIQFHLBRG-FUHWJXTLSA-N 1 1 319.489 4.204 50 0 DIAAMO O=C(Nc1ccc(Cl)cc1)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004577402 181126618 /nfs/dbraw/zinc/12/66/18/181126618.db2.gz GRDMMPXVOYPCJQ-CZUORRHYSA-N 1 1 322.836 4.153 50 0 biogenic DIAAMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCC ZINC000005019482 181191924 /nfs/dbraw/zinc/19/19/24/181191924.db2.gz JZZLZXNYHFQZRY-UHFFFAOYSA-N 1 1 309.793 4.020 50 0 DIAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000005425639 181242459 /nfs/dbraw/zinc/24/24/59/181242459.db2.gz YGNVKLJXSFNFRU-HNNXBMFYSA-N 1 1 311.425 4.132 50 0 DIAAMO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089904666 192901536 /nfs/dbraw/zinc/90/15/36/192901536.db2.gz JVMSJSQSGFJMAH-LBPRGKRZSA-N 1 1 321.827 4.133 50 0 DIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc(OC)c1 ZINC000015837270 182020305 /nfs/dbraw/zinc/02/03/05/182020305.db2.gz LOIXQSUGQOKIOS-LJQANCHMSA-N 1 1 315.388 4.180 50 0 DIAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000015836785 182020380 /nfs/dbraw/zinc/02/03/80/182020380.db2.gz IWRDYCZIVDKBNX-LJQANCHMSA-N 1 1 309.409 4.119 50 0 DIAAMO Cc1c2cc(C)ccc2oc1C[N@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000019143749 182105996 /nfs/dbraw/zinc/10/59/96/182105996.db2.gz HIKFSKHYDHCQNN-NRFANRHFSA-N 1 1 321.420 4.143 50 0 DIAAMO c1ccc(C[NH+]2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019537195 182129140 /nfs/dbraw/zinc/12/91/40/182129140.db2.gz HWANWEYSFOWMPP-UHFFFAOYSA-N 1 1 316.448 4.158 50 0 DIAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)c1 ZINC000019837923 182155545 /nfs/dbraw/zinc/15/55/45/182155545.db2.gz YCKBYEMHYPKQBC-GOSISDBHSA-N 1 1 321.424 4.358 50 0 DIAAMO CC(C)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000020599802 182236232 /nfs/dbraw/zinc/23/62/32/182236232.db2.gz PDRUCFMANXWUQU-AWEZNQCLSA-N 1 1 319.399 4.191 50 0 DIAAMO Cc1ccccc1Cn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000021171083 182268538 /nfs/dbraw/zinc/26/85/38/182268538.db2.gz LLDSHMLXRFWZNE-UHFFFAOYSA-N 1 1 319.452 4.379 50 0 DIAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720376 182285859 /nfs/dbraw/zinc/28/58/59/182285859.db2.gz RCEVZOZHASLTPS-GOSISDBHSA-N 1 1 314.429 4.417 50 0 DIAAMO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021720302 182286283 /nfs/dbraw/zinc/28/62/83/182286283.db2.gz JTCCDNMEPFOGEA-IBGZPJMESA-N 1 1 314.429 4.499 50 0 DIAAMO CCCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021720302 182286286 /nfs/dbraw/zinc/28/62/86/182286286.db2.gz JTCCDNMEPFOGEA-IBGZPJMESA-N 1 1 314.429 4.499 50 0 DIAAMO CC1(C)CC(NCc2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000021805051 182291576 /nfs/dbraw/zinc/29/15/76/182291576.db2.gz WSZXWDIEOWYJAR-UHFFFAOYSA-N 1 1 315.288 4.392 50 0 DIAAMO O=C(CC[N@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1F ZINC000022199326 182312642 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COc1cccc2c1CC[C@H]2[NH2+]Cc1csc(C(C)C)n1 ZINC000095965883 563932636 /nfs/dbraw/zinc/93/26/36/563932636.db2.gz UTWMHLRRMUGMSA-OAHLLOKOSA-N 1 1 302.443 4.052 50 0 DIAAMO C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(Br)ccc1F ZINC000095967596 563932897 /nfs/dbraw/zinc/93/28/97/563932897.db2.gz ULPIAKIJQIHZML-JTQLQIEISA-N 1 1 324.193 4.145 50 0 DIAAMO CC(C)(C)[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000095972013 563933517 /nfs/dbraw/zinc/93/35/17/563933517.db2.gz WIJOYLPNTPBLHK-RCCFBDPRSA-N 1 1 304.453 4.129 50 0 DIAAMO CC(C)(C)[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000095972013 563933519 /nfs/dbraw/zinc/93/35/19/563933519.db2.gz WIJOYLPNTPBLHK-RCCFBDPRSA-N 1 1 304.453 4.129 50 0 DIAAMO CC(C)[N@H+](Cc1cc(-c2ccccc2)no1)Cc1cccnc1 ZINC000095977254 563933665 /nfs/dbraw/zinc/93/36/65/563933665.db2.gz OTJIEYRCHNTMTK-UHFFFAOYSA-N 1 1 307.397 4.147 50 0 DIAAMO CC(C)[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1cccnc1 ZINC000095977254 563933666 /nfs/dbraw/zinc/93/36/66/563933666.db2.gz OTJIEYRCHNTMTK-UHFFFAOYSA-N 1 1 307.397 4.147 50 0 DIAAMO Cc1cccc(CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000670462758 563945467 /nfs/dbraw/zinc/94/54/67/563945467.db2.gz LDGCOBSABPMBCM-INIZCTEOSA-N 1 1 300.833 4.075 50 0 DIAAMO O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1cccs1 ZINC000008436131 563948689 /nfs/dbraw/zinc/94/86/89/563948689.db2.gz QVOCFTOHXDLTAO-UHFFFAOYSA-N 1 1 312.438 4.410 50 0 DIAAMO Cc1cc(C)c2[nH]c(C)c(C[N@@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008571816 563949175 /nfs/dbraw/zinc/94/91/75/563949175.db2.gz HIKJOZYVKHZBAC-UHFFFAOYSA-N 1 1 320.436 4.498 50 0 DIAAMO Cc1cc(Cl)cc2c(=O)c(C[N@@H+]3CCC[C@@H](C)C3)c(C)[nH]c12 ZINC000008717236 563950180 /nfs/dbraw/zinc/95/01/80/563950180.db2.gz LPQUMQQVSVZBHI-LLVKDONJSA-N 1 1 318.848 4.443 50 0 DIAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000009726809 563957566 /nfs/dbraw/zinc/95/75/66/563957566.db2.gz OOAATTVHJAJZPU-UHFFFAOYSA-N 1 1 310.441 4.153 50 0 DIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c(C)c1 ZINC000010311237 563958566 /nfs/dbraw/zinc/95/85/66/563958566.db2.gz MWSWUAXLZHIFBQ-LJQANCHMSA-N 1 1 322.452 4.387 50 0 DIAAMO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000038011496 568417148 /nfs/dbraw/zinc/41/71/48/568417148.db2.gz IWDNPXUXWCANJT-QMMMGPOBSA-N 1 1 302.180 4.015 50 0 DIAAMO c1cc(CN[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n[nH]1 ZINC000126744769 1039311965 /nfs/dbraw/zinc/31/19/65/1039311965.db2.gz HXLMLYKUOVLKPG-SFTDATJTSA-N 1 1 317.436 4.361 50 0 DIAAMO Cc1cc(OCCOCC[N@H+]2CCC[C@H](C)C2)cc(C(C)C)c1 ZINC000002822126 1040115583 /nfs/dbraw/zinc/11/55/83/1040115583.db2.gz VAIUUVUTDWTVGW-KRWDZBQOSA-N 1 1 319.489 4.246 50 0 DIAAMO CC(C)[N@H+]1C[C@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257178184 1041546083 /nfs/dbraw/zinc/54/60/83/1041546083.db2.gz ZFPDNOSOFVYTPI-MRXNPFEDSA-N 1 1 311.429 4.105 50 0 DIAAMO Cc1noc([C@@H](C)[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000046054940 1041960529 /nfs/dbraw/zinc/96/05/29/1041960529.db2.gz QHMWXPUTLJRIGJ-KUHUBIRLSA-N 1 1 319.408 4.087 50 0 DIAAMO Cc1noc([C@@H](C)[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000046054940 1041960535 /nfs/dbraw/zinc/96/05/35/1041960535.db2.gz QHMWXPUTLJRIGJ-KUHUBIRLSA-N 1 1 319.408 4.087 50 0 DIAAMO COc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046089307 1041961450 /nfs/dbraw/zinc/96/14/50/1041961450.db2.gz MBDKRKFHGQDKCA-KRWDZBQOSA-N 1 1 315.438 4.296 50 0 DIAAMO COc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046089307 1041961458 /nfs/dbraw/zinc/96/14/58/1041961458.db2.gz MBDKRKFHGQDKCA-KRWDZBQOSA-N 1 1 315.438 4.296 50 0 DIAAMO O[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977892 1042120092 /nfs/dbraw/zinc/12/00/92/1042120092.db2.gz DLJIWGXIMPFJLY-INIZCTEOSA-N 1 1 317.816 4.089 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cccc(Cl)c1Cl ZINC000248087836 1042437489 /nfs/dbraw/zinc/43/74/89/1042437489.db2.gz SXXGGFSUGFMPFD-APHBMKBZSA-N 1 1 314.256 4.291 50 0 DIAAMO Cc1noc(C)c1C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000052045941 1042463215 /nfs/dbraw/zinc/46/32/15/1042463215.db2.gz HMIOMPGKWPZXJE-UHFFFAOYSA-N 1 1 324.346 4.475 50 0 DIAAMO Cc1noc(C)c1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000052045941 1042463218 /nfs/dbraw/zinc/46/32/18/1042463218.db2.gz HMIOMPGKWPZXJE-UHFFFAOYSA-N 1 1 324.346 4.475 50 0 DIAAMO Fc1ccccc1COc1ccccc1C[NH2+]Cc1ccco1 ZINC000007523628 1044395481 /nfs/dbraw/zinc/39/54/81/1044395481.db2.gz PTVHZSPQSNGDHS-UHFFFAOYSA-N 1 1 311.356 4.288 50 0 DIAAMO CC(C)c1cccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000131624727 1044829863 /nfs/dbraw/zinc/82/98/63/1044829863.db2.gz JGYUXSDTGOTFOC-NRFANRHFSA-N 1 1 324.468 4.077 50 0 DIAAMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC000015064753 1045562357 /nfs/dbraw/zinc/56/23/57/1045562357.db2.gz TWQKJYMAXYDLPU-NRFANRHFSA-N 1 1 315.501 4.274 50 0 DIAAMO CCc1ccc2[nH+]c(NCc3cn4c(n3)SCC4)cc(C)c2c1 ZINC000055393510 1046432199 /nfs/dbraw/zinc/43/21/99/1046432199.db2.gz KPCUBDSJQNOGFG-UHFFFAOYSA-N 1 1 324.453 4.020 50 0 DIAAMO c1ccc(C[C@H]2CCC[N@H+]2Cc2cccc3cccnc32)cc1 ZINC000071794335 1049677951 /nfs/dbraw/zinc/67/79/51/1049677951.db2.gz QZPDSNOYVBCNNP-HXUWFJFHSA-N 1 1 302.421 4.442 50 0 DIAAMO C[N@@H+](CCC[C@H]1CCCO1)Cc1nc(-c2ccccc2)cs1 ZINC000823719823 1050156305 /nfs/dbraw/zinc/15/63/05/1050156305.db2.gz JZEXEJKHQTZYCC-INIZCTEOSA-N 1 1 316.470 4.201 50 0 DIAAMO Cc1cnc([C@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000169791421 1050907252 /nfs/dbraw/zinc/90/72/52/1050907252.db2.gz VDHHZFXHQYXSLW-IBGZPJMESA-N 1 1 311.473 4.379 50 0 DIAAMO Cc1cc(C)c(-n2cccn2)c(C[N@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000952965061 1051123036 /nfs/dbraw/zinc/12/30/36/1051123036.db2.gz BNXAMXWYASBRLG-KRWDZBQOSA-N 1 1 320.440 4.077 50 0 DIAAMO Cc1nc([C@H](C)[N@H+](C)Cc2ccc3ccn(C)c3c2)c(C)s1 ZINC000952976206 1051123565 /nfs/dbraw/zinc/12/35/65/1051123565.db2.gz DZVLGAUEPNGCSA-LBPRGKRZSA-N 1 1 313.470 4.445 50 0 DIAAMO Cc1nc([C@H](C)[N@@H+](C)Cc2ccc3ccn(C)c3c2)c(C)s1 ZINC000952976206 1051123569 /nfs/dbraw/zinc/12/35/69/1051123569.db2.gz DZVLGAUEPNGCSA-LBPRGKRZSA-N 1 1 313.470 4.445 50 0 DIAAMO Cc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCCCC2)nc1 ZINC000952979935 1051123962 /nfs/dbraw/zinc/12/39/62/1051123962.db2.gz DLCBIYVDUSABPN-OAQYLSRUSA-N 1 1 323.484 4.097 50 0 DIAAMO Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCCCC2)nc1 ZINC000952979904 1051124142 /nfs/dbraw/zinc/12/41/42/1051124142.db2.gz DLCBIYVDUSABPN-NRFANRHFSA-N 1 1 323.484 4.097 50 0 DIAAMO Cc1cccc(C[NH2+][C@H](c2cccnc2)c2ccc(C)c(C)c2)n1 ZINC000952983046 1051125404 /nfs/dbraw/zinc/12/54/04/1051125404.db2.gz ZNHPRUIDKLTLTQ-NRFANRHFSA-N 1 1 317.436 4.281 50 0 DIAAMO CC(C)C[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1cccnc1 ZINC000952984101 1051125506 /nfs/dbraw/zinc/12/55/06/1051125506.db2.gz HWIKESGCVJOQAT-OAHLLOKOSA-N 1 1 304.821 4.318 50 0 DIAAMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC000952985242 1051126875 /nfs/dbraw/zinc/12/68/75/1051126875.db2.gz UKLYJGHBRMAYKL-ZDUSSCGKSA-N 1 1 311.816 4.476 50 0 DIAAMO Cc1ccc(C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)o1 ZINC000179618928 1057753095 /nfs/dbraw/zinc/75/30/95/1057753095.db2.gz ZMCGLXJYQQDIFB-UHFFFAOYSA-N 1 1 322.408 4.194 50 0 DIAAMO CCOc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)ccc1OC ZINC000823364530 1057826998 /nfs/dbraw/zinc/82/69/98/1057826998.db2.gz JCTVLHBCLHHSOQ-IAGOWNOFSA-N 1 1 303.446 4.249 50 0 DIAAMO CCCO[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001529100020 1058607777 /nfs/dbraw/zinc/60/77/77/1058607777.db2.gz MMSORIWZIBPIPB-CYBMUJFWSA-N 1 1 319.342 4.236 50 0 DIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001529100020 1058607787 /nfs/dbraw/zinc/60/77/87/1058607787.db2.gz MMSORIWZIBPIPB-CYBMUJFWSA-N 1 1 319.342 4.236 50 0 DIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001529126084 1058617855 /nfs/dbraw/zinc/61/78/55/1058617855.db2.gz WTLCWWOXIQHMGM-MRXNPFEDSA-N 1 1 315.379 4.405 50 0 DIAAMO Cc1ncsc1C[N@H+](C)C[C@]1(c2ccccc2)CC1(C)C ZINC001529162074 1058628091 /nfs/dbraw/zinc/62/80/91/1058628091.db2.gz UJAQRLOOPRRDOF-SFHVURJKSA-N 1 1 300.471 4.251 50 0 DIAAMO COc1cc2c(cc1OC)[C@@H]1C[C@H](c3ccccc3)CC[N@H+]1CC2 ZINC000095561610 185379985 /nfs/dbraw/zinc/37/99/85/185379985.db2.gz SPYSWTOTYSJXHH-APWZRJJASA-N 1 1 323.436 4.181 50 0 DIAAMO COc1ccc(Oc2cc(C[NH2+][C@H](C)c3ccco3)ccn2)cc1 ZINC000095420517 185360205 /nfs/dbraw/zinc/36/02/05/185360205.db2.gz CBKYUXWAOHBBGZ-CQSZACIVSA-N 1 1 324.380 4.326 50 0 DIAAMO COCc1nc(C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)cs1 ZINC000080347565 192150023 /nfs/dbraw/zinc/15/00/23/192150023.db2.gz XELAJPIBUJVFFE-KRWDZBQOSA-N 1 1 318.486 4.475 50 0 DIAAMO COc1ccc(/C=C/C[N@H+]2CCCC[C@H]2c2ccccn2)cc1 ZINC000072133842 191047064 /nfs/dbraw/zinc/04/70/64/191047064.db2.gz MKHGNXKQEPSPOG-YJJPMGAVSA-N 1 1 308.425 4.331 50 0 DIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000072115907 191037475 /nfs/dbraw/zinc/03/74/75/191037475.db2.gz QBEPVZBWCMZTGM-INIZCTEOSA-N 1 1 323.868 4.116 50 0 DIAAMO CC(C)c1nnsc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000072122325 191040334 /nfs/dbraw/zinc/04/03/34/191040334.db2.gz IQPDTIVISJHZPI-AWEZNQCLSA-N 1 1 305.422 4.138 50 0 DIAAMO CC(C)c1nnsc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000072122325 191040337 /nfs/dbraw/zinc/04/03/37/191040337.db2.gz IQPDTIVISJHZPI-AWEZNQCLSA-N 1 1 305.422 4.138 50 0 DIAAMO c1ncn(C2CCCCC2)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000072156182 191060013 /nfs/dbraw/zinc/06/00/13/191060013.db2.gz NYICGRMPXPJVQQ-IBGZPJMESA-N 1 1 310.445 4.120 50 0 DIAAMO c1ncn(C2CCCCC2)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000072156182 191060016 /nfs/dbraw/zinc/06/00/16/191060016.db2.gz NYICGRMPXPJVQQ-IBGZPJMESA-N 1 1 310.445 4.120 50 0 DIAAMO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000253392355 186303230 /nfs/dbraw/zinc/30/32/30/186303230.db2.gz GNYOEYRLBWPPSI-STQMWFEESA-N 1 1 303.475 4.457 50 0 DIAAMO CCc1ncc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)cn1 ZINC000072423656 191157848 /nfs/dbraw/zinc/15/78/48/191157848.db2.gz RQWBMCOQEHIQOU-IBGZPJMESA-N 1 1 309.457 4.026 50 0 DIAAMO CCn1c[nH+]cc1Cn1ccnc1-c1ccc(-c2ccco2)cc1 ZINC000072440778 191167779 /nfs/dbraw/zinc/16/77/79/191167779.db2.gz DYXWMJBDNLFRFL-UHFFFAOYSA-N 1 1 318.380 4.075 50 0 DIAAMO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000003982790 181059812 /nfs/dbraw/zinc/05/98/12/181059812.db2.gz YSTAPDGDOHWKQR-CEWLAPEOSA-N 1 1 311.469 4.251 50 0 in-vivo DIAAMO C[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1c1c[nH]c2ccccc12 ZINC000004089220 181071998 /nfs/dbraw/zinc/07/19/98/181071998.db2.gz FDDKOGGAQLAYGN-FQEVSTJZSA-N 1 1 301.393 4.227 50 0 biogenic DIAAMO C[N@H+]1CCc2c3ccccc3[nH]c2[C@@H]1c1c[nH]c2ccccc12 ZINC000004089220 181072001 /nfs/dbraw/zinc/07/20/01/181072001.db2.gz FDDKOGGAQLAYGN-FQEVSTJZSA-N 1 1 301.393 4.227 50 0 biogenic DIAAMO CCCCCCC(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000004123830 181076815 /nfs/dbraw/zinc/07/68/15/181076815.db2.gz OJWOWYJQDMXMRZ-UHFFFAOYSA-N 1 1 300.446 4.358 50 0 DIAAMO C[C@@H](C[N@@H+]1CC=CCC1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000004582612 181126827 /nfs/dbraw/zinc/12/68/27/181126827.db2.gz JRLONDNYHCBKKH-UGKGYDQZSA-N 1 1 321.464 4.015 50 0 DIAAMO O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004577400 181126884 /nfs/dbraw/zinc/12/68/84/181126884.db2.gz GRDMMPXVOYPCJQ-XJKSGUPXSA-N 1 1 322.836 4.153 50 0 biogenic DIAAMO CCCN1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000004834326 181159233 /nfs/dbraw/zinc/15/92/33/181159233.db2.gz XDJASFMZCNJRBH-UHFFFAOYSA-N 1 1 306.453 4.220 50 0 DIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000004906271 181171495 /nfs/dbraw/zinc/17/14/95/181171495.db2.gz OJXUTEQKYARIAE-TXEJJXNPSA-N 1 1 302.245 4.350 50 0 DIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2cccc(Cl)c2Cl)C1 ZINC000004906431 181171511 /nfs/dbraw/zinc/17/15/11/181171511.db2.gz YMHIDQHPRVTLET-TXEJJXNPSA-N 1 1 302.245 4.350 50 0 DIAAMO Clc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004989434 181186007 /nfs/dbraw/zinc/18/60/07/181186007.db2.gz NQBDQXKOFMTXFA-UHFFFAOYSA-N 1 1 314.860 4.094 50 0 DIAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1 ZINC000006784326 181387913 /nfs/dbraw/zinc/38/79/13/181387913.db2.gz RIZFCRPLEUZDRK-UHFFFAOYSA-N 1 1 315.244 4.196 50 0 DIAAMO Cc1c[nH]c(C[N@@H+](Cc2ccc3[nH]ccc3c2)C2CC2)c(C)c1=O ZINC000253537037 202896768 /nfs/dbraw/zinc/89/67/68/202896768.db2.gz VAIAODZPLGVXBD-UHFFFAOYSA-N 1 1 321.424 4.050 50 0 DIAAMO CCc1nn(C)cc1C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000092375664 193187916 /nfs/dbraw/zinc/18/79/16/193187916.db2.gz PABRGWQGIBRWNY-SNVBAGLBSA-N 1 1 312.244 4.140 50 0 DIAAMO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000096477628 193662049 /nfs/dbraw/zinc/66/20/49/193662049.db2.gz MBWXCBLCYWFQQQ-ZJUUUORDSA-N 1 1 308.809 4.365 50 0 DIAAMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012576588 181778725 /nfs/dbraw/zinc/77/87/25/181778725.db2.gz PSMKLRGHGIWZSP-OAHLLOKOSA-N 1 1 317.816 4.336 50 0 DIAAMO CC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C2CCCCC2)C[C@H]1C ZINC000013635203 181870896 /nfs/dbraw/zinc/87/08/96/181870896.db2.gz YHAZEJUWPWABOU-UZLBHIALSA-N 1 1 315.457 4.120 50 0 DIAAMO O[C@H]1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)[NH+]2CCC1CC2 ZINC000015016996 181983674 /nfs/dbraw/zinc/98/36/74/181983674.db2.gz RNNIXJCZFLCQKU-MUMAZLPKSA-N 1 1 315.800 4.027 50 0 DIAAMO Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)o2)c1 ZINC000015462024 182004239 /nfs/dbraw/zinc/00/42/39/182004239.db2.gz SWRCHZMPZLPZLL-OAHLLOKOSA-N 1 1 307.397 4.238 50 0 DIAAMO Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)o2)c1 ZINC000015462024 182004240 /nfs/dbraw/zinc/00/42/40/182004240.db2.gz SWRCHZMPZLPZLL-OAHLLOKOSA-N 1 1 307.397 4.238 50 0 DIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)cc1 ZINC000015836892 182020605 /nfs/dbraw/zinc/02/06/05/182020605.db2.gz SUTDMLYAURSCEX-SFHVURJKSA-N 1 1 303.352 4.311 50 0 DIAAMO CCCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000016476498 182046472 /nfs/dbraw/zinc/04/64/72/182046472.db2.gz JEHJREMUJUWUKU-LJQANCHMSA-N 1 1 310.441 4.407 50 0 DIAAMO Cc1noc(C)c1CC[N@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000019744035 182142032 /nfs/dbraw/zinc/14/20/32/182142032.db2.gz WMGVBQPNJUDNKT-MRXNPFEDSA-N 1 1 318.848 4.367 50 0 DIAAMO COc1cccc([C@H]2CCCC[N@H+]2CCc2c(C)noc2C)c1 ZINC000020205225 182197837 /nfs/dbraw/zinc/19/78/37/182197837.db2.gz CPGRFJGSNWZUNQ-LJQANCHMSA-N 1 1 314.429 4.070 50 0 DIAAMO COC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000097698931 193748963 /nfs/dbraw/zinc/74/89/63/193748963.db2.gz AONLPSRLZHQUCE-MRXNPFEDSA-N 1 1 301.455 4.416 50 0 DIAAMO CC(C)=CCC[C@@H](C)C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC000022044964 182306419 /nfs/dbraw/zinc/30/64/19/182306419.db2.gz YMEHPXXLAHOSLR-LJQANCHMSA-N 1 1 302.506 4.433 50 0 DIAAMO C(C1CCCCC1)N1CC[N@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000022587874 182327515 /nfs/dbraw/zinc/32/75/15/182327515.db2.gz GBNBYPBMSVRMBX-UXHICEINSA-N 1 1 304.522 4.296 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000022781689 182334288 /nfs/dbraw/zinc/33/42/88/182334288.db2.gz MFCPDRXLSFEJIH-VNQPRFMTSA-N 1 1 314.256 4.291 50 0 DIAAMO CC[C@H]1CCCC[N@H+]1Cc1coc2ccc(Cl)cc2c1=O ZINC000023281588 182355691 /nfs/dbraw/zinc/35/56/91/182355691.db2.gz LSPRXSACERXIGE-AWEZNQCLSA-N 1 1 305.805 4.211 50 0 DIAAMO CC(C)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000023128744 182349927 /nfs/dbraw/zinc/34/99/27/182349927.db2.gz ZAHSKLVLDOWCHM-CQSZACIVSA-N 1 1 319.399 4.191 50 0 DIAAMO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000024518923 182382504 /nfs/dbraw/zinc/38/25/04/182382504.db2.gz BFMGUSOGKFBVQE-LSDHHAIUSA-N 1 1 307.397 4.457 50 0 DIAAMO CC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2OC)no1 ZINC000040024617 183028058 /nfs/dbraw/zinc/02/80/58/183028058.db2.gz CICDZHYCOYFBDZ-AWEZNQCLSA-N 1 1 300.402 4.115 50 0 DIAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2OC)no1 ZINC000040024616 183028308 /nfs/dbraw/zinc/02/83/08/183028308.db2.gz CICDZHYCOYFBDZ-CQSZACIVSA-N 1 1 300.402 4.115 50 0 DIAAMO Cc1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769793 183021501 /nfs/dbraw/zinc/02/15/01/183021501.db2.gz GTOXLWVKYOYTEF-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1cccc(C[N@@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769793 183021502 /nfs/dbraw/zinc/02/15/02/183021502.db2.gz GTOXLWVKYOYTEF-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1cccc(C[N@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769793 183021503 /nfs/dbraw/zinc/02/15/03/183021503.db2.gz GTOXLWVKYOYTEF-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO c1csc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040460673 183069754 /nfs/dbraw/zinc/06/97/54/183069754.db2.gz YPHZNAAIBIVDRG-CQSZACIVSA-N 1 1 311.410 4.135 50 0 DIAAMO c1csc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040460673 183069756 /nfs/dbraw/zinc/06/97/56/183069756.db2.gz YPHZNAAIBIVDRG-CQSZACIVSA-N 1 1 311.410 4.135 50 0 DIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000041362961 183186534 /nfs/dbraw/zinc/18/65/34/183186534.db2.gz ILCGTASCJZFVMQ-BETUJISGSA-N 1 1 304.821 4.473 50 0 DIAAMO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccsc2)nc2ccccc12 ZINC000058225411 184090360 /nfs/dbraw/zinc/09/03/60/184090360.db2.gz DKEWJVQWAIGQSI-QGZVFWFLSA-N 1 1 309.438 4.337 50 0 DIAAMO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccsc2)nc2ccccc12 ZINC000058225411 184090361 /nfs/dbraw/zinc/09/03/61/184090361.db2.gz DKEWJVQWAIGQSI-QGZVFWFLSA-N 1 1 309.438 4.337 50 0 DIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)c1c[nH]c2ccccc12 ZINC000058160665 184081997 /nfs/dbraw/zinc/08/19/97/184081997.db2.gz NPKJOTVMFYXYSC-MRXNPFEDSA-N 1 1 310.422 4.249 50 0 DIAAMO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CC2CCCCC2)o1 ZINC000058430112 184117260 /nfs/dbraw/zinc/11/72/60/184117260.db2.gz WSDNHGMORNAWPA-SFHVURJKSA-N 1 1 311.429 4.058 50 0 DIAAMO Cc1noc([C@H](C)[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000058563647 184122464 /nfs/dbraw/zinc/12/24/64/184122464.db2.gz QHMWXPUTLJRIGJ-IFXJQAMLSA-N 1 1 319.408 4.087 50 0 DIAAMO Cc1noc([C@H](C)[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000058563647 184122465 /nfs/dbraw/zinc/12/24/65/184122465.db2.gz QHMWXPUTLJRIGJ-IFXJQAMLSA-N 1 1 319.408 4.087 50 0 DIAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064667145 184302206 /nfs/dbraw/zinc/30/22/06/184302206.db2.gz GOLBOEWXUFMOOF-KRWDZBQOSA-N 1 1 300.402 4.144 50 0 DIAAMO CCc1cc2oc(=O)cc(C[N@H+](C)[C@H](C)CC)c2cc1Cl ZINC000065549116 184364479 /nfs/dbraw/zinc/36/44/79/184364479.db2.gz LDSNHIKPNDJPAG-LLVKDONJSA-N 1 1 307.821 4.239 50 0 DIAAMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000274159175 257237890 /nfs/dbraw/zinc/23/78/90/257237890.db2.gz GIJVQTIUHWMHLZ-NWDGAFQWSA-N 1 1 301.459 4.137 50 0 DIAAMO Cc1cccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000055544014 134777569 /nfs/dbraw/zinc/77/75/69/134777569.db2.gz PHABOMYZNCBNPZ-UHFFFAOYSA-N 1 1 314.860 4.279 50 0 DIAAMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(COC)o2)c1 ZINC000137082314 341272199 /nfs/dbraw/zinc/27/21/99/341272199.db2.gz WKCACTGZWZEHND-SFHVURJKSA-N 1 1 315.413 4.162 50 0 DIAAMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000328596091 528878488 /nfs/dbraw/zinc/87/84/88/528878488.db2.gz RZPHCYZYYSXMID-OAHLLOKOSA-N 1 1 324.827 4.056 50 0 DIAAMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2CCC(C)C)c(C)c1 ZINC000000031405 563211226 /nfs/dbraw/zinc/21/12/26/563211226.db2.gz NDTLIXTXZSLPIO-KRWDZBQOSA-N 1 1 302.462 4.061 50 0 DIAAMO C[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000000207769 563230193 /nfs/dbraw/zinc/23/01/93/563230193.db2.gz HGTDJQUDDCDCRF-OAHLLOKOSA-N 1 1 306.881 4.036 50 0 DIAAMO CN1CCC([N@@H+](C)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000000241732 563232902 /nfs/dbraw/zinc/23/29/02/563232902.db2.gz IAOUHWOVUSTLLO-UHFFFAOYSA-N 1 1 310.441 4.005 50 0 DIAAMO CN(Cc1cccc(Oc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000000241732 563232904 /nfs/dbraw/zinc/23/29/04/563232904.db2.gz IAOUHWOVUSTLLO-UHFFFAOYSA-N 1 1 310.441 4.005 50 0 DIAAMO Cc1cccc(Cl)c1NC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000002156083 563301055 /nfs/dbraw/zinc/30/10/55/563301055.db2.gz YRTDJKXWYAIZIJ-CQSZACIVSA-N 1 1 323.868 4.034 50 0 DIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3C)c2c(C)c1Cl ZINC000002365505 563303074 /nfs/dbraw/zinc/30/30/74/563303074.db2.gz WBCDOZMPCKMONV-GFCCVEGCSA-N 1 1 319.832 4.438 50 0 biogenic DIAAMO O=C(c1ccc(C[NH+]2CCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000002514632 563305125 /nfs/dbraw/zinc/30/51/25/563305125.db2.gz OQSPXIRQPHIVAQ-UHFFFAOYSA-N 1 1 319.326 4.142 50 0 DIAAMO O=C(c1ccc(C[NH+]2CCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002514633 563305238 /nfs/dbraw/zinc/30/52/38/563305238.db2.gz GOMYSXORGHLJOG-UHFFFAOYSA-N 1 1 319.326 4.142 50 0 DIAAMO CSc1ccc(C(=O)c2ccccc2C[NH+]2CC=CC2)cc1 ZINC000002515885 563306228 /nfs/dbraw/zinc/30/62/28/563306228.db2.gz YDRRTPOTCQKCJK-UHFFFAOYSA-N 1 1 309.434 4.011 50 0 DIAAMO CC[N@@H+](CCC(=O)Nc1cc(C)ccc1C)Cc1ccccc1 ZINC000002765264 563313058 /nfs/dbraw/zinc/31/30/58/563313058.db2.gz ITLADZMBZJYZBX-UHFFFAOYSA-N 1 1 310.441 4.154 50 0 DIAAMO O=C(CCc1ccccc1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000003140753 563322333 /nfs/dbraw/zinc/32/23/33/563322333.db2.gz DODZVQBVCASDOZ-UHFFFAOYSA-N 1 1 320.436 4.020 50 0 DIAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000012246071 563365310 /nfs/dbraw/zinc/36/53/10/563365310.db2.gz PAYZAYAKEVLXHZ-OAHLLOKOSA-N 1 1 313.420 4.338 50 0 DIAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)s1 ZINC000012244702 563365736 /nfs/dbraw/zinc/36/57/36/563365736.db2.gz YCRYMKJIMDMTHY-OAHLLOKOSA-N 1 1 317.502 4.358 50 0 DIAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000014952376 563404463 /nfs/dbraw/zinc/40/44/63/563404463.db2.gz SZWOXAJDLBAOGH-OAHLLOKOSA-N 1 1 320.458 4.103 50 0 DIAAMO C[N@@H+](Cc1ccccc1NC(=O)C1CCC1)C1CCCCC1 ZINC000032876323 563406071 /nfs/dbraw/zinc/40/60/71/563406071.db2.gz NQOSHJSHUSKSDF-UHFFFAOYSA-N 1 1 300.446 4.190 50 0 DIAAMO Cc1ccc(-c2cc(C[N@@H+]3CCc4sccc4C3)on2)cc1 ZINC000032913829 563411680 /nfs/dbraw/zinc/41/16/80/563411680.db2.gz CHTDCDJUJWEGHO-UHFFFAOYSA-N 1 1 310.422 4.270 50 0 DIAAMO Cc1ccc(-c2cc(C[N@H+]3CCc4sccc4C3)on2)cc1 ZINC000032913829 563411683 /nfs/dbraw/zinc/41/16/83/563411683.db2.gz CHTDCDJUJWEGHO-UHFFFAOYSA-N 1 1 310.422 4.270 50 0 DIAAMO Nc1c(-c2ccc(Cl)c(Cl)c2)[nH+]cn1Cc1ccccc1 ZINC000106442408 563420715 /nfs/dbraw/zinc/42/07/15/563420715.db2.gz HFUHUGRDWPZSPJ-UHFFFAOYSA-N 1 1 318.207 4.487 50 0 DIAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1 ZINC000072277765 563432050 /nfs/dbraw/zinc/43/20/50/563432050.db2.gz AUXCHQIYKFTVIE-INIZCTEOSA-N 1 1 317.477 4.017 50 0 DIAAMO Cc1ccsc1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000252427590 563451857 /nfs/dbraw/zinc/45/18/57/563451857.db2.gz LNYKFDYVUPKCTB-PKOBYXMFSA-N 1 1 318.530 4.285 50 0 DIAAMO Cc1ccsc1C[N@@H+]1CCN2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000252427590 563451860 /nfs/dbraw/zinc/45/18/60/563451860.db2.gz LNYKFDYVUPKCTB-PKOBYXMFSA-N 1 1 318.530 4.285 50 0 DIAAMO Cc1ccsc1C[N@H+]1CCN2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000252427590 563451862 /nfs/dbraw/zinc/45/18/62/563451862.db2.gz LNYKFDYVUPKCTB-PKOBYXMFSA-N 1 1 318.530 4.285 50 0 DIAAMO CC[C@@H](C)[N@@H+](Cc1cccnc1)Cc1ccc(O)c(Cl)c1 ZINC000055089004 563470984 /nfs/dbraw/zinc/47/09/84/563470984.db2.gz DKAQSKJVLSUHGQ-CYBMUJFWSA-N 1 1 304.821 4.241 50 0 DIAAMO Cc1cc(C)n(CCC[N@@H+](C)CCCSc2ccccc2)n1 ZINC000055053893 563471215 /nfs/dbraw/zinc/47/12/15/563471215.db2.gz CAUMDPHDUYBOCR-UHFFFAOYSA-N 1 1 317.502 4.004 50 0 DIAAMO CCC[N@@H+](Cc1ccc(SC)cc1)Cc1cccnc1NC ZINC000055327666 563474677 /nfs/dbraw/zinc/47/46/77/563474677.db2.gz HMYFQTFLGAXSRJ-UHFFFAOYSA-N 1 1 315.486 4.257 50 0 DIAAMO COc1ccccc1/C=C/C[N@H+](Cc1ccccn1)CC(C)C ZINC000055413098 563475418 /nfs/dbraw/zinc/47/54/18/563475418.db2.gz KJZRISAIYWTFKZ-CSKARUKUSA-N 1 1 310.441 4.262 50 0 DIAAMO Clc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055543686 563476616 /nfs/dbraw/zinc/47/66/16/563476616.db2.gz RNZXTRZEUUYLNP-UHFFFAOYSA-N 1 1 321.251 4.316 50 0 DIAAMO CCCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000064666861 563486091 /nfs/dbraw/zinc/48/60/91/563486091.db2.gz VTBFVCUZPACPRL-SFHVURJKSA-N 1 1 314.429 4.499 50 0 DIAAMO Fc1cccc(F)c1CC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000071404276 563499742 /nfs/dbraw/zinc/49/97/42/563499742.db2.gz MIVLGVRJFNFQTQ-HNNXBMFYSA-N 1 1 316.395 4.205 50 0 DIAAMO Cc1nc2ccc(CCC(=O)Nc3cccc(C)c3C)cc2[nH]1 ZINC000033169586 563500012 /nfs/dbraw/zinc/50/00/12/563500012.db2.gz QULYBEMQHFMVJL-UHFFFAOYSA-N 1 1 307.397 4.059 50 0 DIAAMO CSc1ccc(-c2nccn2[C@@H](C)Cc2cc(C)n[nH]2)cc1 ZINC000072407503 563503663 /nfs/dbraw/zinc/50/36/63/563503663.db2.gz CJIZOQRPDQIHNR-ZDUSSCGKSA-N 1 1 312.442 4.107 50 0 DIAAMO Cn1ccnc1CC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000077471923 563510600 /nfs/dbraw/zinc/51/06/00/563510600.db2.gz YCMSJCXNRJQIRY-KRWDZBQOSA-N 1 1 323.440 4.154 50 0 DIAAMO Fc1ccc([C@@H]2CC[N@H+]2Cc2cccc(Cn3cccn3)c2)cc1 ZINC000097572305 563540179 /nfs/dbraw/zinc/54/01/79/563540179.db2.gz BNAFGOVYBNXKHP-FQEVSTJZSA-N 1 1 321.399 4.018 50 0 DIAAMO O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000000140619 563572771 /nfs/dbraw/zinc/57/27/71/563572771.db2.gz GRDMMPXVOYPCJQ-BBRMVZONSA-N 1 1 322.836 4.153 50 0 biogenic DIAAMO COc1cc2c(cc1OC)CC(C)(C)[N@@H+](Cc1ccccc1)C2 ZINC000000178875 563575593 /nfs/dbraw/zinc/57/55/93/563575593.db2.gz LIKBFCVNMSTQFV-UHFFFAOYSA-N 1 1 311.425 4.041 50 0 DIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000240100 563627792 /nfs/dbraw/zinc/62/77/92/563627792.db2.gz WRFXSTWJCZREFK-FQEVSTJZSA-N 1 1 323.436 4.129 50 0 DIAAMO CCOC[C@@H]1CCC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000107052900 563682890 /nfs/dbraw/zinc/68/28/90/563682890.db2.gz LIRONJMOSQYXJR-HZPDHXFCSA-N 1 1 314.429 4.151 50 0 DIAAMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)cc1Cl ZINC000215140467 563704039 /nfs/dbraw/zinc/70/40/39/563704039.db2.gz XXOWUBRSQIWBMJ-QGZVFWFLSA-N 1 1 316.832 4.471 50 0 DIAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccn2)cc1Cl ZINC000215140467 563704041 /nfs/dbraw/zinc/70/40/41/563704041.db2.gz XXOWUBRSQIWBMJ-QGZVFWFLSA-N 1 1 316.832 4.471 50 0 DIAAMO CC(C)c1ccc(-n2cc(C[NH+]3CCC(F)(F)CC3)cn2)cc1 ZINC000215305979 563705474 /nfs/dbraw/zinc/70/54/74/563705474.db2.gz ZWIDOZAYPZFMFA-UHFFFAOYSA-N 1 1 319.399 4.227 50 0 DIAAMO FC(F)(F)c1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055543095 563718156 /nfs/dbraw/zinc/71/81/56/563718156.db2.gz QPXLZWNVCODEKF-UHFFFAOYSA-N 1 1 320.358 4.028 50 0 DIAAMO Cc1nc2c(n1[C@@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)CCCC2 ZINC000241719911 563777890 /nfs/dbraw/zinc/77/78/90/563777890.db2.gz QQRZSKBVCSKMCD-MAUKXSAKSA-N 1 1 309.457 4.078 50 0 DIAAMO CCC[N@@H+](CCc1ccccc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000002169418 563841866 /nfs/dbraw/zinc/84/18/66/563841866.db2.gz DEYFWGXTPWNADC-LJQANCHMSA-N 1 1 309.453 4.204 50 0 in-vitro DIAAMO CC(C)C[N@@H+]1CS[C@@H](COc2cccc3ccccc32)C1 ZINC000075262211 563862395 /nfs/dbraw/zinc/86/23/95/563862395.db2.gz WSRJRSMMIAOBRH-MRXNPFEDSA-N 1 1 301.455 4.250 50 0 DIAAMO CC(C)C[N@H+]1CS[C@@H](COc2cccc3ccccc32)C1 ZINC000075262211 563862397 /nfs/dbraw/zinc/86/23/97/563862397.db2.gz WSRJRSMMIAOBRH-MRXNPFEDSA-N 1 1 301.455 4.250 50 0 DIAAMO Cn1c2ccccc2c2c1[C@]1(c3ccccc3)CCC[N@H+]1CC2 ZINC000026771513 563882398 /nfs/dbraw/zinc/88/23/98/563882398.db2.gz KLBANMXKJPIDCF-OAQYLSRUSA-N 1 1 302.421 4.074 50 0 DIAAMO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Cl)o1 ZINC000075584132 563884974 /nfs/dbraw/zinc/88/49/74/563884974.db2.gz HYSFGDFNUPDSTF-CYBMUJFWSA-N 1 1 307.825 4.052 50 0 DIAAMO CC(C)C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000036095367 563892994 /nfs/dbraw/zinc/89/29/94/563892994.db2.gz YDLLTKVQXMZOKE-LJQANCHMSA-N 1 1 301.405 4.017 50 0 DIAAMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C)cc1 ZINC000007420732 563906242 /nfs/dbraw/zinc/90/62/42/563906242.db2.gz AMEPRGGQWVLDOZ-MRXNPFEDSA-N 1 1 310.441 4.016 50 0 DIAAMO CC(C)c1[nH+]ccn1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170613024 563907970 /nfs/dbraw/zinc/90/79/70/563907970.db2.gz SHBWTFHTPQLBLI-HNNXBMFYSA-N 1 1 321.465 4.044 50 0 DIAAMO CC(C)c1[nH+]ccn1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170613025 563908045 /nfs/dbraw/zinc/90/80/45/563908045.db2.gz SHBWTFHTPQLBLI-OAHLLOKOSA-N 1 1 321.465 4.044 50 0 DIAAMO C[C@H]1CCCC[N@H+]1Cc1cncc(-c2ccc(F)cc2F)c1 ZINC000037279093 563908062 /nfs/dbraw/zinc/90/80/62/563908062.db2.gz AZIRADRKBPJMLC-ZDUSSCGKSA-N 1 1 302.368 4.401 50 0 DIAAMO CC(C)(C)c1nnc(C[N@@H+]2CCCC3(C2)CCCCCC3)o1 ZINC000075968364 563911563 /nfs/dbraw/zinc/91/15/63/563911563.db2.gz RBZYRRBDJAGVFV-UHFFFAOYSA-N 1 1 305.466 4.304 50 0 DIAAMO CC(C)(C)c1nnc(C[N@H+]2CCCC3(C2)CCCCCC3)o1 ZINC000075968364 563911564 /nfs/dbraw/zinc/91/15/64/563911564.db2.gz RBZYRRBDJAGVFV-UHFFFAOYSA-N 1 1 305.466 4.304 50 0 DIAAMO O[C@@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000014929244 563914939 /nfs/dbraw/zinc/91/49/39/563914939.db2.gz RNYDSULXEGZJTK-SJORKVTESA-N 1 1 324.449 4.167 50 0 DIAAMO CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc2[nH]ccc2c1 ZINC000252492165 563916219 /nfs/dbraw/zinc/91/62/19/563916219.db2.gz MEPTXBRJZPIANB-UHFFFAOYSA-N 1 1 310.445 4.142 50 0 DIAAMO c1cc2c(s1)CC[N@H+](CCc1ccncc1)[C@H]2c1ccccc1 ZINC000015033309 563916966 /nfs/dbraw/zinc/91/69/66/563916966.db2.gz KSFFVFSOJVPNJC-FQEVSTJZSA-N 1 1 320.461 4.333 50 0 DIAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccnc2)c1 ZINC000037522513 563918202 /nfs/dbraw/zinc/91/82/02/563918202.db2.gz DRLRJEULSXYLLN-OAQYLSRUSA-N 1 1 317.436 4.187 50 0 DIAAMO C[C@H]1CCCC[N@H+]1Cc1cncc(-c2cc(F)ccc2F)c1 ZINC000037553753 563918777 /nfs/dbraw/zinc/91/87/77/563918777.db2.gz XQGJIEFXTDDXEG-ZDUSSCGKSA-N 1 1 302.368 4.401 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000007902996 563920490 /nfs/dbraw/zinc/92/04/90/563920490.db2.gz LVUQQDJSXXATQJ-UHFFFAOYSA-N 1 1 306.409 4.099 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000007902996 563920491 /nfs/dbraw/zinc/92/04/91/563920491.db2.gz LVUQQDJSXXATQJ-UHFFFAOYSA-N 1 1 306.409 4.099 50 0 DIAAMO COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)c2ccco2)c1 ZINC000095423108 563931276 /nfs/dbraw/zinc/93/12/76/563931276.db2.gz REFVTPCPHGMARM-AWEZNQCLSA-N 1 1 324.380 4.326 50 0 DIAAMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968155 563933122 /nfs/dbraw/zinc/93/31/22/563933122.db2.gz XPUULFNWWCDUDS-SRVKXCTJSA-N 1 1 313.272 4.269 50 0 DIAAMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968155 563933123 /nfs/dbraw/zinc/93/31/23/563933123.db2.gz XPUULFNWWCDUDS-SRVKXCTJSA-N 1 1 313.272 4.269 50 0 DIAAMO C[C@@H]([NH2+]Cc1ccccc1Sc1ccccc1)c1cnccn1 ZINC000095967817 563933286 /nfs/dbraw/zinc/93/32/86/563933286.db2.gz CERGTOGEVREICM-OAHLLOKOSA-N 1 1 321.449 4.479 50 0 DIAAMO CCc1cnc([C@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968986 563933438 /nfs/dbraw/zinc/93/34/38/563933438.db2.gz OZBQXVAJJNGJFW-NEPJUHHUSA-N 1 1 317.458 4.076 50 0 DIAAMO Oc1ccc(C2=CC[N@@H+](Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000095982361 563933900 /nfs/dbraw/zinc/93/39/00/563933900.db2.gz UCHVGLQETXAWLL-UHFFFAOYSA-N 1 1 304.393 4.163 50 0 DIAAMO COCc1n[nH]c(C)c1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000096148704 563935880 /nfs/dbraw/zinc/93/58/80/563935880.db2.gz AQVBMFMSSNIPRM-OAHLLOKOSA-N 1 1 313.445 4.078 50 0 DIAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000008311887 563947720 /nfs/dbraw/zinc/94/77/20/563947720.db2.gz BIWOHGQOCMGKSL-BDTNDASRSA-N 1 1 321.464 4.339 50 0 DIAAMO COc1ccc(OCCCn2c(C)[nH+]c3cc(C)c(C)cc32)cc1 ZINC000008614179 563949629 /nfs/dbraw/zinc/94/96/29/563949629.db2.gz RRNVXCGTHCPFKZ-UHFFFAOYSA-N 1 1 324.424 4.439 50 0 DIAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008700908 563949730 /nfs/dbraw/zinc/94/97/30/563949730.db2.gz WOCYBRKWOIYLEN-CQSZACIVSA-N 1 1 314.429 4.022 50 0 DIAAMO CCOc1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008713986 563950049 /nfs/dbraw/zinc/95/00/49/563950049.db2.gz OXNFMHWGFLOBSH-CYBMUJFWSA-N 1 1 314.429 4.022 50 0 DIAAMO Cc1ccc(-c2nc(C[N@H+](C)C3Cc4ccccc4C3)cs2)o1 ZINC000069418425 563952878 /nfs/dbraw/zinc/95/28/78/563952878.db2.gz GNTIVCTUPSLWOC-UHFFFAOYSA-N 1 1 324.449 4.311 50 0 DIAAMO c1csc(-c2cc(C[N@H+]3CC[C@@H](c4ccccc4)C3)no2)c1 ZINC000069894483 563955126 /nfs/dbraw/zinc/95/51/26/563955126.db2.gz ZGQJBZLKYBXQHA-OAHLLOKOSA-N 1 1 310.422 4.393 50 0 DIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c(C)c1 ZINC000010311239 563958538 /nfs/dbraw/zinc/95/85/38/563958538.db2.gz MWSWUAXLZHIFBQ-IBGZPJMESA-N 1 1 322.452 4.387 50 0 DIAAMO C[N@@H+]1CCCc2c(c3cc(F)ccc3n2CCc2ccccc2)C1 ZINC000075567367 568418695 /nfs/dbraw/zinc/41/86/95/568418695.db2.gz FBUOCUFIMAHLQN-UHFFFAOYSA-N 1 1 322.427 4.401 50 0 DIAAMO C[N@H+]1CCCc2c(c3cc(F)ccc3n2CCc2ccccc2)C1 ZINC000075567367 568418697 /nfs/dbraw/zinc/41/86/97/568418697.db2.gz FBUOCUFIMAHLQN-UHFFFAOYSA-N 1 1 322.427 4.401 50 0 DIAAMO C[N@@H+](C[C@@H](O)c1ccccc1)C1CCC(c2ccccc2)CC1 ZINC000002498181 1037583693 /nfs/dbraw/zinc/58/36/93/1037583693.db2.gz JNDHWHCBYVIBNC-DQVLVPHSSA-N 1 1 309.453 4.378 50 0 DIAAMO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)co1 ZINC000102423235 1040273928 /nfs/dbraw/zinc/27/39/28/1040273928.db2.gz NNBBKEBUFJMXIS-VBUUOAMHSA-N 1 1 314.404 4.341 50 0 DIAAMO OC[C@@H]1CCC[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000023281022 1040548196 /nfs/dbraw/zinc/54/81/96/1040548196.db2.gz KVCMAIMTIPTBRW-INIZCTEOSA-N 1 1 317.816 4.089 50 0 DIAAMO Cc1noc([C@H](C)[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000046054941 1041960873 /nfs/dbraw/zinc/96/08/73/1041960873.db2.gz QHMWXPUTLJRIGJ-LIRRHRJNSA-N 1 1 319.408 4.087 50 0 DIAAMO Cc1noc([C@H](C)[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000046054941 1041960876 /nfs/dbraw/zinc/96/08/76/1041960876.db2.gz QHMWXPUTLJRIGJ-LIRRHRJNSA-N 1 1 319.408 4.087 50 0 DIAAMO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1noc2c1CCCC2 ZINC000808437699 1042524381 /nfs/dbraw/zinc/52/43/81/1042524381.db2.gz VKLRXUDYELCJTM-UHFFFAOYSA-N 1 1 324.346 4.170 50 0 DIAAMO FC(F)Oc1ccccc1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000216028110 1044342942 /nfs/dbraw/zinc/34/29/42/1044342942.db2.gz JRMYTIZNFUTRLX-INIZCTEOSA-N 1 1 318.367 4.410 50 0 DIAAMO FC(F)Oc1ccccc1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000216028110 1044342960 /nfs/dbraw/zinc/34/29/60/1044342960.db2.gz JRMYTIZNFUTRLX-INIZCTEOSA-N 1 1 318.367 4.410 50 0 DIAAMO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccco2)cc1 ZINC000007523626 1044394683 /nfs/dbraw/zinc/39/46/83/1044394683.db2.gz AXNQYPYSPBKANZ-UHFFFAOYSA-N 1 1 311.356 4.288 50 0 DIAAMO C[N@@H+](C[C@@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000012946762 1044743456 /nfs/dbraw/zinc/74/34/56/1044743456.db2.gz HNFBZQUIHQKOBZ-OAQYLSRUSA-N 1 1 317.432 4.441 50 0 DIAAMO CC(C)c1cccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000131624497 1044831650 /nfs/dbraw/zinc/83/16/50/1044831650.db2.gz JGYUXSDTGOTFOC-OAQYLSRUSA-N 1 1 324.468 4.077 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1cnc2ccccc2c1 ZINC000055108256 1046430071 /nfs/dbraw/zinc/43/00/71/1046430071.db2.gz FVUBECQKVFAFRG-INIZCTEOSA-N 1 1 305.425 4.431 50 0 DIAAMO CCC(C)(C)C(=O)N1CCC[C@H]1CCc1[nH+]cc(C)n1C(C)C ZINC000253404029 1047101528 /nfs/dbraw/zinc/10/15/28/1047101528.db2.gz HPQFWRXCRWOSFC-INIZCTEOSA-N 1 1 319.493 4.132 50 0 DIAAMO Cc1cnc([C@@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000169791420 1050907829 /nfs/dbraw/zinc/90/78/29/1050907829.db2.gz VDHHZFXHQYXSLW-LJQANCHMSA-N 1 1 311.473 4.379 50 0 DIAAMO C[N@H+]1CCC[C@H](NC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000952881206 1051122125 /nfs/dbraw/zinc/12/21/25/1051122125.db2.gz GJOYKHPLHIXMPD-KRWDZBQOSA-N 1 1 323.440 4.019 50 0 DIAAMO Cc1cccc(C[NH2+][C@@H](c2cccnc2)c2ccc(C)c(C)c2)n1 ZINC000952983073 1051126344 /nfs/dbraw/zinc/12/63/44/1051126344.db2.gz ZNHPRUIDKLTLTQ-OAQYLSRUSA-N 1 1 317.436 4.281 50 0 DIAAMO CC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000230553669 1056444839 /nfs/dbraw/zinc/44/48/39/1056444839.db2.gz VEQQXUQYJMYAPB-UHFFFAOYSA-N 1 1 302.643 4.334 50 0 DIAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)o1 ZINC000011844636 1056755074 /nfs/dbraw/zinc/75/50/74/1056755074.db2.gz CCGHXJYGRJEMJW-CQSZACIVSA-N 1 1 303.427 4.053 50 0 DIAAMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)o1 ZINC000011844636 1056755082 /nfs/dbraw/zinc/75/50/82/1056755082.db2.gz CCGHXJYGRJEMJW-CQSZACIVSA-N 1 1 303.427 4.053 50 0 DIAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+]1C[C@H]2C[C@@H]1CCC2 ZINC000012298179 1057016580 /nfs/dbraw/zinc/01/65/80/1057016580.db2.gz FDFUSNHLFFVFAF-OCCSQVGLSA-N 1 1 318.367 4.303 50 0 DIAAMO c1ccc(-c2noc(C[N@H+]3CC[C@@H](C4CCCCC4)C3)n2)cc1 ZINC000012443072 1057166293 /nfs/dbraw/zinc/16/62/93/1057166293.db2.gz YNXHWHFQCMPFOO-QGZVFWFLSA-N 1 1 311.429 4.139 50 0 DIAAMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012576599 1057511652 /nfs/dbraw/zinc/51/16/52/1057511652.db2.gz PSMKLRGHGIWZSP-HNNXBMFYSA-N 1 1 317.816 4.336 50 0 DIAAMO CC(C)(C)[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H](c2ccccc2)O1 ZINC001529138601 1058622009 /nfs/dbraw/zinc/62/20/09/1058622009.db2.gz FZECSQUILIWPJB-RBUKOAKNSA-N 1 1 310.441 4.070 50 0 DIAAMO Cc1csc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000078988938 185141474 /nfs/dbraw/zinc/14/14/74/185141474.db2.gz QUXSLBWCSHYIIS-CQSZACIVSA-N 1 1 309.438 4.364 50 0 DIAAMO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)Cc2cccnc2)cc1 ZINC000095431940 185363525 /nfs/dbraw/zinc/36/35/25/185363525.db2.gz GMLAAMYRMIRJMU-FQEVSTJZSA-N 1 1 303.409 4.006 50 0 DIAAMO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)Cc2cccnc2)cc1 ZINC000095431940 185363526 /nfs/dbraw/zinc/36/35/26/185363526.db2.gz GMLAAMYRMIRJMU-FQEVSTJZSA-N 1 1 303.409 4.006 50 0 DIAAMO CCc1ccc[nH+]c1NCc1ccc(OC)c(Br)c1 ZINC000095434273 185364377 /nfs/dbraw/zinc/36/43/77/185364377.db2.gz OBWCGOZLGSEZRR-UHFFFAOYSA-N 1 1 321.218 4.027 50 0 DIAAMO CC(C)[C@@H](C)[N@@H+](Cc1cnc(-c2cccnc2)s1)C1CC1 ZINC000095453805 185369630 /nfs/dbraw/zinc/36/96/30/185369630.db2.gz CMMWCJRDQCWFCG-CYBMUJFWSA-N 1 1 301.459 4.214 50 0 DIAAMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000095459555 185370702 /nfs/dbraw/zinc/37/07/02/185370702.db2.gz LEKVTNUQPZUNBU-ZDUSSCGKSA-N 1 1 308.878 4.462 50 0 DIAAMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cnc3ccsc3c2)s1 ZINC000097017239 185397491 /nfs/dbraw/zinc/39/74/91/185397491.db2.gz NVTVMTSPMCOILG-WDEREUQCSA-N 1 1 303.456 4.473 50 0 DIAAMO Fc1ccc(CC[C@@H]2CCC[N@@H+](Cc3cscn3)C2)cc1 ZINC000072150396 191055964 /nfs/dbraw/zinc/05/59/64/191055964.db2.gz LVKGHHHBAPUNJH-HNNXBMFYSA-N 1 1 304.434 4.127 50 0 DIAAMO Cc1cccc(CN2CC[NH+](Cc3ccc4occc4c3)CC2)c1 ZINC000072158479 191061304 /nfs/dbraw/zinc/06/13/04/191061304.db2.gz OWONPPQCXNBBRG-UHFFFAOYSA-N 1 1 320.436 4.059 50 0 DIAAMO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000072163764 191064280 /nfs/dbraw/zinc/06/42/80/191064280.db2.gz ZTKANPFONPGDRK-INIZCTEOSA-N 1 1 321.827 4.112 50 0 DIAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000072163764 191064282 /nfs/dbraw/zinc/06/42/82/191064282.db2.gz ZTKANPFONPGDRK-INIZCTEOSA-N 1 1 321.827 4.112 50 0 DIAAMO Brc1c[nH+]ccc1NCc1cccc2cccnc21 ZINC000163922960 186141850 /nfs/dbraw/zinc/14/18/50/186141850.db2.gz PLLVGQRKJUDVRD-UHFFFAOYSA-N 1 1 314.186 4.004 50 0 DIAAMO O=C(CCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000072434387 191165392 /nfs/dbraw/zinc/16/53/92/191165392.db2.gz SNWUDLOAKLDHSR-SFHVURJKSA-N 1 1 313.466 4.162 50 0 DIAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072481185 191181146 /nfs/dbraw/zinc/18/11/46/191181146.db2.gz ZKZMSIPXABNGQG-NSHDSACASA-N 1 1 317.339 4.141 50 0 DIAAMO C[NH+](C)[C@H](Cc1cccc2ccccc21)C(=O)c1ccccc1 ZINC000003282644 181000400 /nfs/dbraw/zinc/00/04/00/181000400.db2.gz VXUNQMTYCBKKNH-HXUWFJFHSA-N 1 1 303.405 4.195 50 0 DIAAMO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)C1(C)O ZINC000004555395 181124210 /nfs/dbraw/zinc/12/42/10/181124210.db2.gz XDCSRNLDRQBFAD-CLRGLAINSA-N 1 1 309.453 4.438 50 0 DIAAMO C[C@@H]1CCC[C@@H]([NH+]2CCC(N(C)Cc3ccccc3)CC2)C1 ZINC000004745608 181146826 /nfs/dbraw/zinc/14/68/26/181146826.db2.gz TYZDDRFEDHYQMD-YLJYHZDGSA-N 1 1 300.490 4.162 50 0 DIAAMO COc1cc2c(cc1OC)C[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000004988158 181184868 /nfs/dbraw/zinc/18/48/68/181184868.db2.gz ZYDGKIFUGSIPQP-LFIBNONCSA-N 1 1 323.436 4.165 50 0 DIAAMO Cc1[nH+]ccn1-c1cc(C(C)C)nc2c(-c3ccccc3)cnn21 ZINC000005207886 181217281 /nfs/dbraw/zinc/21/72/81/181217281.db2.gz CTPBOGYGPWEBMQ-UHFFFAOYSA-N 1 1 317.396 4.014 50 0 DIAAMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000005425643 181242042 /nfs/dbraw/zinc/24/20/42/181242042.db2.gz YGNVKLJXSFNFRU-OAHLLOKOSA-N 1 1 311.425 4.132 50 0 DIAAMO CC(C)[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000005484114 181248524 /nfs/dbraw/zinc/24/85/24/181248524.db2.gz OSFAIVUDTXKDAU-UHFFFAOYSA-N 1 1 307.397 4.147 50 0 DIAAMO CC(C)[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000005484114 181248525 /nfs/dbraw/zinc/24/85/25/181248525.db2.gz OSFAIVUDTXKDAU-UHFFFAOYSA-N 1 1 307.397 4.147 50 0 DIAAMO Cc1cc(C)c(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C ZINC000009045355 181597664 /nfs/dbraw/zinc/59/76/64/181597664.db2.gz OGQXSBVMESXCLJ-MJGOQNOKSA-N 1 1 315.457 4.033 50 0 DIAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1O ZINC000015836685 182020445 /nfs/dbraw/zinc/02/04/45/182020445.db2.gz RRKSGKUTMXWMIG-MRXNPFEDSA-N 1 1 317.816 4.391 50 0 DIAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1O ZINC000015836685 182020446 /nfs/dbraw/zinc/02/04/46/182020446.db2.gz RRKSGKUTMXWMIG-MRXNPFEDSA-N 1 1 317.816 4.391 50 0 DIAAMO CCCC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000016476501 182046748 /nfs/dbraw/zinc/04/67/48/182046748.db2.gz JEHJREMUJUWUKU-IBGZPJMESA-N 1 1 310.441 4.407 50 0 DIAAMO Clc1ccc([C@@H]2CCC[N@@H+](CCc3cccnc3)C2)cc1 ZINC000019146008 182105939 /nfs/dbraw/zinc/10/59/39/182105939.db2.gz SPPUSGMLRVVNLO-QGZVFWFLSA-N 1 1 300.833 4.157 50 0 DIAAMO C[N@@H+](C[C@]1(c2ccc(F)cc2)CCOC1)C1CCCCCC1 ZINC000019883724 182160777 /nfs/dbraw/zinc/16/07/77/182160777.db2.gz CRGODGAQCACTMX-LJQANCHMSA-N 1 1 305.437 4.138 50 0 DIAAMO CC(C)CC[C@@H](CCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020573567 182234126 /nfs/dbraw/zinc/23/41/26/182234126.db2.gz CKZXYKDYTTZJGL-SFHVURJKSA-N 1 1 322.924 4.497 50 0 DIAAMO Cc1cccc(C[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC000021778756 182288724 /nfs/dbraw/zinc/28/87/24/182288724.db2.gz OSMZVWGYMXYTRJ-UHFFFAOYSA-N 1 1 316.242 4.316 50 0 DIAAMO Cc1cccc(C[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC000021778756 182288725 /nfs/dbraw/zinc/28/87/25/182288725.db2.gz OSMZVWGYMXYTRJ-UHFFFAOYSA-N 1 1 316.242 4.316 50 0 DIAAMO COc1ccc(C[N@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000023281653 182355898 /nfs/dbraw/zinc/35/58/98/182355898.db2.gz XFDXSUGYTVAIDN-UHFFFAOYSA-N 1 1 303.405 4.407 50 0 DIAAMO CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000040049892 183030294 /nfs/dbraw/zinc/03/02/94/183030294.db2.gz JNKMKBGVDPXLPW-FQEVSTJZSA-N 1 1 322.452 4.368 50 0 DIAAMO Cc1ccccc1C[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000040071599 183031275 /nfs/dbraw/zinc/03/12/75/183031275.db2.gz YQMODFOONNQRHY-CYBMUJFWSA-N 1 1 313.426 4.300 50 0 DIAAMO Cc1ccccc1C[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000040071599 183031277 /nfs/dbraw/zinc/03/12/77/183031277.db2.gz YQMODFOONNQRHY-CYBMUJFWSA-N 1 1 313.426 4.300 50 0 DIAAMO c1ccc([C@H]2C[N@H+](Cc3cccnc3)Cc3ccccc32)cc1 ZINC000043670550 183378554 /nfs/dbraw/zinc/37/85/54/183378554.db2.gz YXEFCMBKCLLCHG-OAQYLSRUSA-N 1 1 300.405 4.229 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000057676261 184045919 /nfs/dbraw/zinc/04/59/19/184045919.db2.gz LFAPEZVNSKLWRI-MRXNPFEDSA-N 1 1 320.436 4.488 50 0 DIAAMO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2OC(C)C)on1 ZINC000064667012 184302110 /nfs/dbraw/zinc/30/21/10/184302110.db2.gz WDWKGIJXRMCRRA-KRWDZBQOSA-N 1 1 314.429 4.361 50 0 DIAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2OC(C)C)on1 ZINC000064667012 184302113 /nfs/dbraw/zinc/30/21/13/184302113.db2.gz WDWKGIJXRMCRRA-KRWDZBQOSA-N 1 1 314.429 4.361 50 0 DIAAMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C1CCCC1 ZINC000065475413 184351988 /nfs/dbraw/zinc/35/19/88/184351988.db2.gz KMEZCLJSZQIBKL-CQSZACIVSA-N 1 1 322.880 4.170 50 0 DIAAMO Cc1ncsc1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000065525584 184359344 /nfs/dbraw/zinc/35/93/44/184359344.db2.gz VROSVWDBZICSRB-UHFFFAOYSA-N 1 1 309.438 4.049 50 0 DIAAMO Cc1ncsc1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000065525584 184359347 /nfs/dbraw/zinc/35/93/47/184359347.db2.gz VROSVWDBZICSRB-UHFFFAOYSA-N 1 1 309.438 4.049 50 0 DIAAMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(CO)c2)cc1Cl ZINC000426368162 257253109 /nfs/dbraw/zinc/25/31/09/257253109.db2.gz CVUFVQXWIWWOMV-CQSZACIVSA-N 1 1 315.844 4.484 50 0 DIAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592725 534228740 /nfs/dbraw/zinc/22/87/40/534228740.db2.gz VMCMSPDJZKDULC-IJEWVQPXSA-N 1 1 315.486 4.138 50 0 DIAAMO CC(C)c1nc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)co1 ZINC000097288795 563538483 /nfs/dbraw/zinc/53/84/83/563538483.db2.gz YNWMFEMHNHUEIO-CYBMUJFWSA-N 1 1 304.821 4.441 50 0 DIAAMO Brc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000014217422 563398231 /nfs/dbraw/zinc/39/82/31/563398231.db2.gz ZCNDLMAMTUCHGV-UHFFFAOYSA-N 1 1 302.215 4.007 50 0 DIAAMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000000309164 563239050 /nfs/dbraw/zinc/23/90/50/563239050.db2.gz UUDLUCKIEGFRRV-LJQANCHMSA-N 1 1 322.452 4.154 50 0 DIAAMO CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000000454658 563257014 /nfs/dbraw/zinc/25/70/14/563257014.db2.gz NQEGBNHHGHJOKN-UHFFFAOYSA-N 1 1 316.832 4.191 50 0 DIAAMO O=C(c1ccccc1C[NH+]1CCC1)c1ccccc1C(F)(F)F ZINC000002515626 563305865 /nfs/dbraw/zinc/30/58/65/563305865.db2.gz IKMQSGVKGAIECD-UHFFFAOYSA-N 1 1 319.326 4.142 50 0 DIAAMO O=C(c1cccc(C[NH+]2CCC2)c1)c1cccc(Cl)c1Cl ZINC000002515139 563306007 /nfs/dbraw/zinc/30/60/07/563306007.db2.gz ZCUDPXBMRLGOCW-UHFFFAOYSA-N 1 1 320.219 4.430 50 0 DIAAMO CSc1ccc(C(=O)c2cccc(C[NH+]3CC=CC3)c2)cc1 ZINC000002515390 563306038 /nfs/dbraw/zinc/30/60/38/563306038.db2.gz MQKXQQZNLSQUCX-UHFFFAOYSA-N 1 1 309.434 4.011 50 0 DIAAMO CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@@H+](C)[C@H]1C ZINC000002750099 563341412 /nfs/dbraw/zinc/34/14/12/563341412.db2.gz HXMYADUYVHAIOZ-XAUMDUMWSA-N 1 1 317.473 4.221 50 0 DIAAMO Cc1c([C@H](C)[NH2+]Cc2ccccc2F)cnn1-c1ccccc1 ZINC000011709129 563359291 /nfs/dbraw/zinc/35/92/91/563359291.db2.gz GTRHNRJAAGYOFV-AWEZNQCLSA-N 1 1 309.388 4.171 50 0 DIAAMO CC(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000012303362 563366574 /nfs/dbraw/zinc/36/65/74/563366574.db2.gz RQSQPNCXGWETIO-HXUWFJFHSA-N 1 1 309.457 4.282 50 0 DIAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)cc1 ZINC000012465970 563369996 /nfs/dbraw/zinc/36/99/96/563369996.db2.gz YODBDKOTIARZIU-MRXNPFEDSA-N 1 1 315.438 4.096 50 0 DIAAMO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000013039471 563377519 /nfs/dbraw/zinc/37/75/19/563377519.db2.gz YKEGWQHRLCODRJ-UHFFFAOYSA-N 1 1 323.223 4.064 50 0 DIAAMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000013039471 563377523 /nfs/dbraw/zinc/37/75/23/563377523.db2.gz YKEGWQHRLCODRJ-UHFFFAOYSA-N 1 1 323.223 4.064 50 0 DIAAMO C[C@@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1 ZINC000013136929 563379705 /nfs/dbraw/zinc/37/97/05/563379705.db2.gz GBAHPMMVENBPNR-MJBXVCDLSA-N 1 1 309.837 4.148 50 0 DIAAMO CC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C2CCCCC2)C[C@@H]1C ZINC000013635206 563384510 /nfs/dbraw/zinc/38/45/10/563384510.db2.gz YHAZEJUWPWABOU-JXFKEZNVSA-N 1 1 315.457 4.120 50 0 DIAAMO Brc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000014217422 563398229 /nfs/dbraw/zinc/39/82/29/563398229.db2.gz ZCNDLMAMTUCHGV-UHFFFAOYSA-N 1 1 302.215 4.007 50 0 DIAAMO Fc1cccc(CC[C@H]2CCC[N@@H+](Cc3nccs3)C2)c1 ZINC000014974419 563404279 /nfs/dbraw/zinc/40/42/79/563404279.db2.gz NRQZBVRXGJOXMT-OAHLLOKOSA-N 1 1 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Cc1cc(C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)no1 ZINC000095420860 185360501 /nfs/dbraw/zinc/36/05/01/185360501.db2.gz BIXYOYPPPDHWBO-LBPRGKRZSA-N 1 1 313.426 4.266 50 0 DIAAMO Cc1cccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000097013480 185397124 /nfs/dbraw/zinc/39/71/24/185397124.db2.gz PEIPKNVWJJCLEY-IBGZPJMESA-N 1 1 305.425 4.219 50 0 DIAAMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cnc3ccsc3c2)s1 ZINC000097017245 185397436 /nfs/dbraw/zinc/39/74/36/185397436.db2.gz NVTVMTSPMCOILG-MNOVXSKESA-N 1 1 303.456 4.473 50 0 DIAAMO C[N@@H+](Cc1cc(-c2ccccn2)no1)[C@@H]1CCCc2ccccc21 ZINC000072143986 191051792 /nfs/dbraw/zinc/05/17/92/191051792.db2.gz LKDXRTJGTUQABC-HXUWFJFHSA-N 1 1 319.408 4.246 50 0 DIAAMO Cc1cc(Cl)cc2c(N3CC(c4ccncc4)C3)cc[nH+]c12 ZINC000072165496 191065021 /nfs/dbraw/zinc/06/50/21/191065021.db2.gz SAGYIOTYMDUYGQ-UHFFFAOYSA-N 1 1 309.800 4.195 50 0 DIAAMO CCN(CCC[N@@H+](C)[C@H](C)c1ccccc1F)CC(F)(F)F ZINC000225579348 186279602 /nfs/dbraw/zinc/27/96/02/186279602.db2.gz 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COc1ccc(Br)cc1C[N@@H+](C)C1CCCCC1 ZINC000004988930 181185898 /nfs/dbraw/zinc/18/58/98/181185898.db2.gz PRDJBBJZMCGRSV-UHFFFAOYSA-N 1 1 312.251 4.222 50 0 DIAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCc2ccccc2Cl)o1 ZINC000005119460 181205596 /nfs/dbraw/zinc/20/55/96/181205596.db2.gz YKWYPUOJRTWQQQ-SKDRFNHKSA-N 1 1 311.838 4.061 50 0 DIAAMO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000006788372 181389011 /nfs/dbraw/zinc/38/90/11/181389011.db2.gz RFZWWDVCAWAFEE-LBPRGKRZSA-N 1 1 313.788 4.241 50 0 DIAAMO Cc1cccc2c(=O)c(C[N@@H+](C)Cc3ccccc3)c(C)[nH]c12 ZINC000008714596 181576958 /nfs/dbraw/zinc/57/69/58/181576958.db2.gz VIZHTTLFWLNKDQ-UHFFFAOYSA-N 1 1 306.409 4.189 50 0 DIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837005 182020629 /nfs/dbraw/zinc/02/06/29/182020629.db2.gz VTAYMDICNRQOMS-GOSISDBHSA-N 1 1 303.352 4.311 50 0 DIAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000015836788 182020751 /nfs/dbraw/zinc/02/07/51/182020751.db2.gz IWRDYCZIVDKBNX-IBGZPJMESA-N 1 1 309.409 4.119 50 0 DIAAMO Clc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)cn2c1 ZINC000016340751 182040875 /nfs/dbraw/zinc/04/08/75/182040875.db2.gz INAALWVKNRBORS-CQSZACIVSA-N 1 1 317.845 4.386 50 0 DIAAMO Clc1ccc2nc(C[N@H+]3CCC[C@@H]3c3cccs3)cn2c1 ZINC000016340751 182040876 /nfs/dbraw/zinc/04/08/76/182040876.db2.gz INAALWVKNRBORS-CQSZACIVSA-N 1 1 317.845 4.386 50 0 DIAAMO Clc1ccc2nc(C[N@@H+]3CCC[C@H]3c3cccs3)cn2c1 ZINC000016340752 182041423 /nfs/dbraw/zinc/04/14/23/182041423.db2.gz INAALWVKNRBORS-AWEZNQCLSA-N 1 1 317.845 4.386 50 0 DIAAMO Clc1ccc2nc(C[N@H+]3CCC[C@H]3c3cccs3)cn2c1 ZINC000016340752 182041424 /nfs/dbraw/zinc/04/14/24/182041424.db2.gz INAALWVKNRBORS-AWEZNQCLSA-N 1 1 317.845 4.386 50 0 DIAAMO C[N@H+](Cc1ccc2ccccc2c1)Cn1cnc2ccccc21 ZINC000018898098 182102690 /nfs/dbraw/zinc/10/26/90/182102690.db2.gz XGZZMOYKUCSOEL-UHFFFAOYSA-N 1 1 301.393 4.279 50 0 DIAAMO Cc1c2cc(C)ccc2oc1C[N@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000019143753 182106015 /nfs/dbraw/zinc/10/60/15/182106015.db2.gz 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183017999 /nfs/dbraw/zinc/01/79/99/183017999.db2.gz VPGAYMLCRSKRDS-FQEVSTJZSA-N 1 1 317.436 4.456 50 0 DIAAMO c1cc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000039445898 183018000 /nfs/dbraw/zinc/01/80/00/183018000.db2.gz VPGAYMLCRSKRDS-FQEVSTJZSA-N 1 1 317.436 4.456 50 0 DIAAMO O[C@H](C[N@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1Cl ZINC000106074771 194183986 /nfs/dbraw/zinc/18/39/86/194183986.db2.gz OZDUOFPLUCZIBS-QZTJIDSGSA-N 1 1 301.817 4.211 50 0 DIAAMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000057645294 184043457 /nfs/dbraw/zinc/04/34/57/184043457.db2.gz FXMPMMFDAIYPRX-AWEZNQCLSA-N 1 1 309.438 4.053 50 0 DIAAMO Oc1cccc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)c1 ZINC000058213687 184088570 /nfs/dbraw/zinc/08/85/70/184088570.db2.gz FEBQAICKWVWQGU-UHFFFAOYSA-N 1 1 324.355 4.008 50 0 DIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)C1 ZINC000060548091 184151999 /nfs/dbraw/zinc/15/19/99/184151999.db2.gz HXDXSJLQUOXYKA-IAGOWNOFSA-N 1 1 312.457 4.213 50 0 DIAAMO CC(C)c1[nH+]ccn1[C@@H](C)c1nc(C2CC2)nn1-c1ccccc1 ZINC000065408612 184339566 /nfs/dbraw/zinc/33/95/66/184339566.db2.gz NWQWXLYSFDAYMV-AWEZNQCLSA-N 1 1 321.428 4.074 50 0 DIAAMO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C1CCCC1 ZINC000065475411 184352092 /nfs/dbraw/zinc/35/20/92/184352092.db2.gz KMEZCLJSZQIBKL-AWEZNQCLSA-N 1 1 322.880 4.170 50 0 DIAAMO CC[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C(F)(F)F)nc1 ZINC000065407265 184338378 /nfs/dbraw/zinc/33/83/78/184338378.db2.gz MSCNVCFSCAQEPF-CQSZACIVSA-N 1 1 309.335 4.079 50 0 DIAAMO CC[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C(F)(F)F)nc1 ZINC000065407265 184338380 /nfs/dbraw/zinc/33/83/80/184338380.db2.gz MSCNVCFSCAQEPF-CQSZACIVSA-N 1 1 309.335 4.079 50 0 DIAAMO C[N@H+](Cc1nnc(-c2ccccc2)o1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000065532374 184361864 /nfs/dbraw/zinc/36/18/64/184361864.db2.gz AFZMVSDOXCXWCS-IRXDYDNUSA-N 1 1 323.440 4.161 50 0 DIAAMO C[N@@H+](Cc1nnc(-c2ccccc2)o1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000065532374 184361866 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C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000240412671 257259763 /nfs/dbraw/zinc/25/97/63/257259763.db2.gz FNRJSDNSXYYKNR-LRDDRELGSA-N 1 1 318.417 4.051 50 0 DIAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000240412671 257259764 /nfs/dbraw/zinc/25/97/64/257259764.db2.gz FNRJSDNSXYYKNR-LRDDRELGSA-N 1 1 318.417 4.051 50 0 DIAAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000240412672 257259847 /nfs/dbraw/zinc/25/98/47/257259847.db2.gz FNRJSDNSXYYKNR-WBMJQRKESA-N 1 1 318.417 4.051 50 0 DIAAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000240412672 257259849 /nfs/dbraw/zinc/25/98/49/257259849.db2.gz FNRJSDNSXYYKNR-WBMJQRKESA-N 1 1 318.417 4.051 50 0 DIAAMO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000096477622 563484160 /nfs/dbraw/zinc/48/41/60/563484160.db2.gz MBWXCBLCYWFQQQ-VHSXEESVSA-N 1 1 308.809 4.365 50 0 DIAAMO Cn1c2ccccc2[nH+]c1Nc1ccc(Br)cc1 ZINC000000513579 563264188 /nfs/dbraw/zinc/26/41/88/563264188.db2.gz 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/nfs/dbraw/zinc/36/71/26/563367126.db2.gz NYQJCKNMOVSPQY-CQSZACIVSA-N 1 1 305.809 4.155 50 0 DIAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccsc3)C2)cc1F ZINC000012469459 563369870 /nfs/dbraw/zinc/36/98/70/563369870.db2.gz MLPSPYWTNYSGSS-AWEZNQCLSA-N 1 1 308.397 4.103 50 0 DIAAMO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012495255 563370972 /nfs/dbraw/zinc/37/09/72/563370972.db2.gz RYAUSSKQMZRMAI-YESZJQIVSA-N 1 1 303.490 4.272 50 0 endogenous,in-man DIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000012707966 563372336 /nfs/dbraw/zinc/37/23/36/563372336.db2.gz LEAPPSAWKDFVQW-ZDUSSCGKSA-N 1 1 311.347 4.153 50 0 DIAAMO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000012748040 563373415 /nfs/dbraw/zinc/37/34/15/563373415.db2.gz XQDJJXHKFBYSTM-UHFFFAOYSA-N 1 1 305.809 4.155 50 0 DIAAMO CC(C)[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000032777886 563391537 /nfs/dbraw/zinc/39/15/37/563391537.db2.gz KHEFEYGZOZZCEB-UHFFFAOYSA-N 1 1 308.425 4.165 50 0 DIAAMO Cc1ccccc1OCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000032806029 563395471 /nfs/dbraw/zinc/39/54/71/563395471.db2.gz XLPVGFWKCXKSOG-UHFFFAOYSA-N 1 1 322.408 4.161 50 0 DIAAMO Cc1ccccc1OCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000032806029 563395474 /nfs/dbraw/zinc/39/54/74/563395474.db2.gz XLPVGFWKCXKSOG-UHFFFAOYSA-N 1 1 322.408 4.161 50 0 DIAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc2c1 ZINC000014951411 563404315 /nfs/dbraw/zinc/40/43/15/563404315.db2.gz UFYOJSIAULQKBF-GOSISDBHSA-N 1 1 323.436 4.296 50 0 DIAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000015064665 563406327 /nfs/dbraw/zinc/40/63/27/563406327.db2.gz JFUFQQLHWQVMNQ-KRWDZBQOSA-N 1 1 313.828 4.435 50 0 DIAAMO COc1ccc([C@@H]2CCC[N@H+]2CCc2ccc3c(c2)CCO3)cc1 ZINC000441197325 563412076 /nfs/dbraw/zinc/41/20/76/563412076.db2.gz MLUNNIRDKIBTFI-FQEVSTJZSA-N 1 1 323.436 4.010 50 0 DIAAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)C1 ZINC000032931179 563414353 /nfs/dbraw/zinc/41/43/53/563414353.db2.gz HXDXSJLQUOXYKA-IRXDYDNUSA-N 1 1 312.457 4.213 50 0 DIAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c(C)c1 ZINC000029483188 563434496 /nfs/dbraw/zinc/43/44/96/563434496.db2.gz BKJFUXACLXWWMG-LJQANCHMSA-N 1 1 322.452 4.170 50 0 DIAAMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000033087101 563444395 /nfs/dbraw/zinc/44/43/95/563444395.db2.gz KZGCNJNHFOQXBK-SFHVURJKSA-N 1 1 317.864 4.499 50 0 DIAAMO Cc1ccccc1NC(=O)C[C@H]1c2ccccc2CC(C)(C)[N@H+]1C ZINC000000343575 563447660 /nfs/dbraw/zinc/44/76/60/563447660.db2.gz UKYROQSLELFTPS-IBGZPJMESA-N 1 1 322.452 4.331 50 0 biogenic DIAAMO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000052537268 563469261 /nfs/dbraw/zinc/46/92/61/563469261.db2.gz LBBWWBVVWSGTKL-OAQYLSRUSA-N 1 1 308.469 4.029 50 0 DIAAMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000052537268 563469264 /nfs/dbraw/zinc/46/92/64/563469264.db2.gz LBBWWBVVWSGTKL-OAQYLSRUSA-N 1 1 308.469 4.029 50 0 DIAAMO C[C@@H]1CCCC[N@H+]1CC(=O)n1c2ccccc2c2ccccc21 ZINC000054097362 563470356 /nfs/dbraw/zinc/47/03/56/563470356.db2.gz LWLHEWKCUGKMBK-OAHLLOKOSA-N 1 1 306.409 4.309 50 0 DIAAMO CS[C@H](C)CC[N@H+](Cc1nccs1)Cc1ccccc1 ZINC000055167405 563471975 /nfs/dbraw/zinc/47/19/75/563471975.db2.gz RHKZOGUVADTDKG-CQSZACIVSA-N 1 1 306.500 4.287 50 0 DIAAMO CS[C@H](C)CC[N@@H+](Cc1nccs1)Cc1ccccc1 ZINC000055167405 563471976 /nfs/dbraw/zinc/47/19/76/563471976.db2.gz RHKZOGUVADTDKG-CQSZACIVSA-N 1 1 306.500 4.287 50 0 DIAAMO CC[C@@H](CO)[N@@H+](C/C(C)=C/c1ccco1)Cc1ccsc1 ZINC000055270250 563473410 /nfs/dbraw/zinc/47/34/10/563473410.db2.gz BDPUIRRMUBEFDD-IDJPSDCMSA-N 1 1 305.443 4.018 50 0 DIAAMO CCCc1[nH+]ccn1Cc1nc(-c2ccc(C)s2)oc1C ZINC000067867956 563492309 /nfs/dbraw/zinc/49/23/09/563492309.db2.gz JHDXJSPURABUKU-UHFFFAOYSA-N 1 1 301.415 4.217 50 0 DIAAMO CCc1nc2ccc(CCC(=O)Nc3ccc(CC)cc3)cc2[nH]1 ZINC000033169581 563499478 /nfs/dbraw/zinc/49/94/78/563499478.db2.gz NQEHPSLPIISRPN-UHFFFAOYSA-N 1 1 321.424 4.259 50 0 DIAAMO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287745 563518704 /nfs/dbraw/zinc/51/87/04/563518704.db2.gz OZUFEPICEVXWQB-LJQANCHMSA-N 1 1 323.436 4.493 50 0 DIAAMO C[C@@]([NH3+])(c1ccc(Cl)cc1)[C@@](C)(N)c1ccc(Cl)cc1 ZINC000095937413 563531611 /nfs/dbraw/zinc/53/16/11/563531611.db2.gz LWRJAHOWKXOLSQ-IYBDPMFKSA-N 1 1 309.240 4.041 50 0 DIAAMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2)cc1C ZINC000011819054 563599539 /nfs/dbraw/zinc/59/95/39/563599539.db2.gz QCRUNEUWBSLBJK-UHFFFAOYSA-N 1 1 305.425 4.326 50 0 DIAAMO CCCCCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000048342289 563697059 /nfs/dbraw/zinc/69/70/59/563697059.db2.gz SVYYTXWWZQOMNC-QGZVFWFLSA-N 1 1 316.489 4.115 50 0 DIAAMO c1cc2cccc(CN3CCC[N@H+](C4CCCCC4)CC3)c2[nH]1 ZINC000215166669 563704174 /nfs/dbraw/zinc/70/41/74/563704174.db2.gz NJUUFNUHACGHNX-UHFFFAOYSA-N 1 1 311.473 4.008 50 0 DIAAMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)cc1Cl ZINC000215140513 563704523 /nfs/dbraw/zinc/70/45/23/563704523.db2.gz XXOWUBRSQIWBMJ-KRWDZBQOSA-N 1 1 316.832 4.471 50 0 DIAAMO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccccn2)cc1Cl ZINC000215140513 563704526 /nfs/dbraw/zinc/70/45/26/563704526.db2.gz XXOWUBRSQIWBMJ-KRWDZBQOSA-N 1 1 316.832 4.471 50 0 DIAAMO COC[C@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215718267 563706995 /nfs/dbraw/zinc/70/69/95/563706995.db2.gz ANLCJPOJMVFFCF-HNNXBMFYSA-N 1 1 317.454 4.208 50 0 DIAAMO C[C@]1(O)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000216452278 563709580 /nfs/dbraw/zinc/70/95/80/563709580.db2.gz HLDHIEWVPFJNON-NRFANRHFSA-N 1 1 309.453 4.055 50 0 DIAAMO Cc1c2cc(F)ccc2oc1[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000241447028 563777352 /nfs/dbraw/zinc/77/73/52/563777352.db2.gz NQPBLLCMERHWRJ-QWHCGFSZSA-N 1 1 313.376 4.391 50 0 DIAAMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1cc(-c3cccnc3)no1)C2 ZINC000244594194 563779327 /nfs/dbraw/zinc/77/93/27/563779327.db2.gz DHZGUAKGCGRICQ-DNVCBOLYSA-N 1 1 311.429 4.137 50 0 DIAAMO CCCC[C@@H](c1cccnc1)[N@H+](C)Cc1cncn1C(C)C ZINC000244884319 563779975 /nfs/dbraw/zinc/77/99/75/563779975.db2.gz YJWRRLXYQOMXAX-SFHVURJKSA-N 1 1 300.450 4.222 50 0 DIAAMO CCCC[C@@H](c1cccnc1)[N@@H+](C)Cc1cncn1C(C)C ZINC000244884319 563779977 /nfs/dbraw/zinc/77/99/77/563779977.db2.gz YJWRRLXYQOMXAX-SFHVURJKSA-N 1 1 300.450 4.222 50 0 DIAAMO CC[N@@H+](CCSc1ccccc1)Cc1[nH]cc(C)c(=O)c1C ZINC000253536968 563784502 /nfs/dbraw/zinc/78/45/02/563784502.db2.gz RSYMBVDMGSWSHM-UHFFFAOYSA-N 1 1 316.470 4.018 50 0 DIAAMO Cc1noc([C@@H](C)[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000052464956 563788108 /nfs/dbraw/zinc/78/81/08/563788108.db2.gz WEYZOMRZFXCACO-CYBMUJFWSA-N 1 1 324.428 4.108 50 0 DIAAMO Fc1cccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000104276712 563843464 /nfs/dbraw/zinc/84/34/64/563843464.db2.gz DHMMQFBVMCMNCO-PMACEKPBSA-N 1 1 316.464 4.055 50 0 DIAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c(C)c1 ZINC000239433696 563880171 /nfs/dbraw/zinc/88/01/71/563880171.db2.gz YIAGVNLOFHZFER-ROUUACIJSA-N 1 1 314.473 4.062 50 0 DIAAMO O=C(c1ccccc1)c1c[nH+]c2ccccc2c1N1CCCC1 ZINC000036102713 563893380 /nfs/dbraw/zinc/89/33/80/563893380.db2.gz AHHSQXFUPJHONI-UHFFFAOYSA-N 1 1 302.377 4.066 50 0 DIAAMO Cc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)c1 ZINC000036100758 563893517 /nfs/dbraw/zinc/89/35/17/563893517.db2.gz QXNHFGRCHOXACB-IBGZPJMESA-N 1 1 321.505 4.019 50 0 DIAAMO Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)c1 ZINC000036100398 563893950 /nfs/dbraw/zinc/89/39/50/563893950.db2.gz GDARFDQPBXGQJN-NRFANRHFSA-N 1 1 311.469 4.057 50 0 DIAAMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@H](O)Cc1ccccc1 ZINC000036100803 563893971 /nfs/dbraw/zinc/89/39/71/563893971.db2.gz KJGLHLVVRKPNFM-OAQYLSRUSA-N 1 1 311.469 4.119 50 0 DIAAMO CCC[N@H+]1CCC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CCC[C@H]12 ZINC000036367449 563896740 /nfs/dbraw/zinc/89/67/40/563896740.db2.gz MIJNOPJLAXKPEM-BJLQDIEVSA-N 1 1 315.457 4.277 50 0 biogenic DIAAMO C[C@@H]([NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)c1cnccn1 ZINC000090034786 563912509 /nfs/dbraw/zinc/91/25/09/563912509.db2.gz ICAQPQIFCILBNM-MNOVXSKESA-N 1 1 301.777 4.288 50 0 DIAAMO CCCCc1noc(C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000170634526 563912813 /nfs/dbraw/zinc/91/28/13/563912813.db2.gz QBDSAVMMAINTCS-JKSUJKDBSA-N 1 1 313.445 4.099 50 0 DIAAMO C[N@@H+]1CCCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000019329658 563923718 /nfs/dbraw/zinc/92/37/18/563923718.db2.gz RBSDTAAHXCEHHB-LJQANCHMSA-N 1 1 314.860 4.415 50 0 DIAAMO C[N@H+]1CCCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000019329658 563923719 /nfs/dbraw/zinc/92/37/19/563923719.db2.gz RBSDTAAHXCEHHB-LJQANCHMSA-N 1 1 314.860 4.415 50 0 DIAAMO O[C@H](C[N@H+]1CCC[C@H]1c1cccs1)c1ccccc1Cl ZINC000058562980 563924066 /nfs/dbraw/zinc/92/40/66/563924066.db2.gz ZKGAVHXHAOLNLC-LSDHHAIUSA-N 1 1 307.846 4.272 50 0 DIAAMO CC1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000253369785 563924891 /nfs/dbraw/zinc/92/48/91/563924891.db2.gz ICKZXLKBWNWZMI-HAGHYFMRSA-N 1 1 312.501 4.350 50 0 DIAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2C(F)(F)F)c1 ZINC000079092930 563930312 /nfs/dbraw/zinc/93/03/12/563930312.db2.gz ZZCAEQQJBATUFJ-HNNXBMFYSA-N 1 1 323.362 4.084 50 0 DIAAMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C(F)(F)F)c1 ZINC000079092930 563930313 /nfs/dbraw/zinc/93/03/13/563930313.db2.gz ZZCAEQQJBATUFJ-HNNXBMFYSA-N 1 1 323.362 4.084 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000095947109 563932244 /nfs/dbraw/zinc/93/22/44/563932244.db2.gz CXVJIZCYDUPJAF-CYBMUJFWSA-N 1 1 324.449 4.167 50 0 DIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000095947109 563932245 /nfs/dbraw/zinc/93/22/45/563932245.db2.gz CXVJIZCYDUPJAF-CYBMUJFWSA-N 1 1 324.449 4.167 50 0 DIAAMO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(Br)ccc1F ZINC000095967597 563932919 /nfs/dbraw/zinc/93/29/19/563932919.db2.gz ULPIAKIJQIHZML-SNVBAGLBSA-N 1 1 324.193 4.145 50 0 DIAAMO COC[C@H]([NH2+][C@H]1C[C@H](C)Sc2ccccc21)c1ccco1 ZINC000095968846 563933128 /nfs/dbraw/zinc/93/31/28/563933128.db2.gz SYQUNUCFCQBUAN-QEJZJMRPSA-N 1 1 303.427 4.182 50 0 DIAAMO C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095995442 563934353 /nfs/dbraw/zinc/93/43/53/563934353.db2.gz PHMREHRVUUJDDC-SIKLNZKXSA-N 1 1 322.496 4.119 50 0 DIAAMO COc1ccc2cc(C[N@@H+](C)Cc3c(C)noc3C)ccc2c1 ZINC000028730673 563940581 /nfs/dbraw/zinc/94/05/81/563940581.db2.gz RRFWPDQJWBHBBO-UHFFFAOYSA-N 1 1 310.397 4.085 50 0 DIAAMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c(C)c1 ZINC000003140925 563942487 /nfs/dbraw/zinc/94/24/87/563942487.db2.gz OXIANEDSBSKEQN-LJQANCHMSA-N 1 1 322.452 4.215 50 0 DIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008232526 563947307 /nfs/dbraw/zinc/94/73/07/563947307.db2.gz SZLIJTMXUUDPID-CQSZACIVSA-N 1 1 320.845 4.177 50 0 DIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008232526 563947308 /nfs/dbraw/zinc/94/73/08/563947308.db2.gz SZLIJTMXUUDPID-CQSZACIVSA-N 1 1 320.845 4.177 50 0 DIAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008232524 563947315 /nfs/dbraw/zinc/94/73/15/563947315.db2.gz SZLIJTMXUUDPID-AWEZNQCLSA-N 1 1 320.845 4.177 50 0 DIAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008232524 563947316 /nfs/dbraw/zinc/94/73/16/563947316.db2.gz SZLIJTMXUUDPID-AWEZNQCLSA-N 1 1 320.845 4.177 50 0 DIAAMO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@@H+]1CCC[C@H](C)C1 ZINC000008700897 563949793 /nfs/dbraw/zinc/94/97/93/563949793.db2.gz WIYFKEZSQPKYHG-NSHDSACASA-N 1 1 304.821 4.134 50 0 DIAAMO CC[N@@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717113 563949945 /nfs/dbraw/zinc/94/99/45/563949945.db2.gz GCKPMVBATPGXNP-UHFFFAOYSA-N 1 1 324.399 4.410 50 0 DIAAMO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@@H+]1CCC[C@H](C)C1 ZINC000008717153 563950083 /nfs/dbraw/zinc/95/00/83/563950083.db2.gz DJJFNASQPGYBEM-NSHDSACASA-N 1 1 318.848 4.443 50 0 DIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C)c(C)o2)cc1 ZINC000040158340 563951729 /nfs/dbraw/zinc/95/17/29/563951729.db2.gz YONMCUHZZSEBCY-SFHVURJKSA-N 1 1 314.429 4.417 50 0 DIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(C)c(C)o2)cc1 ZINC000040158340 563951730 /nfs/dbraw/zinc/95/17/30/563951730.db2.gz YONMCUHZZSEBCY-SFHVURJKSA-N 1 1 314.429 4.417 50 0 DIAAMO CCCc1nc(N2CCC(Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000009250466 563954427 /nfs/dbraw/zinc/95/44/27/563954427.db2.gz XSQSISDZENQOJC-UHFFFAOYSA-N 1 1 309.457 4.197 50 0 DIAAMO Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]Cc1ccccn1 ZINC000077454232 563960837 /nfs/dbraw/zinc/96/08/37/563960837.db2.gz MSZQZRADFXCNAK-FQEVSTJZSA-N 1 1 306.384 4.294 50 0 DIAAMO Cc1ccc2c(C[NH2+][C@@H](C)c3ccccc3F)cc(=O)oc2c1 ZINC000033040109 1037185998 /nfs/dbraw/zinc/18/59/98/1037185998.db2.gz OKCDPFUJHGPYNF-ZDUSSCGKSA-N 1 1 311.356 4.091 50 0 DIAAMO Cc1ncc(C[N@@H+](C)Cc2ccccc2OC2CCCC2)s1 ZINC000179380960 1040448451 /nfs/dbraw/zinc/44/84/51/1040448451.db2.gz VLIAMYNXCKAIEL-UHFFFAOYSA-N 1 1 316.470 4.405 50 0 DIAAMO Cc1ncc(C[N@H+](C)Cc2ccccc2OC2CCCC2)s1 ZINC000179380960 1040448461 /nfs/dbraw/zinc/44/84/61/1040448461.db2.gz VLIAMYNXCKAIEL-UHFFFAOYSA-N 1 1 316.470 4.405 50 0 DIAAMO Fc1cccc(-c2noc3c2C[N@H+](Cc2cccs2)CC3)c1 ZINC000020515043 1041459108 /nfs/dbraw/zinc/45/91/08/1041459108.db2.gz QOVDMDKUFKGYDK-UHFFFAOYSA-N 1 1 314.385 4.101 50 0 DIAAMO Fc1cccc(-c2noc3c2C[N@@H+](Cc2cccs2)CC3)c1 ZINC000020515043 1041459115 /nfs/dbraw/zinc/45/91/15/1041459115.db2.gz QOVDMDKUFKGYDK-UHFFFAOYSA-N 1 1 314.385 4.101 50 0 DIAAMO CCC[N@H+]1C[C@@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257174601 1041540910 /nfs/dbraw/zinc/54/09/10/1041540910.db2.gz IQLJOJRUBIGWLL-INIZCTEOSA-N 1 1 311.429 4.106 50 0 DIAAMO CC(C)[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccccc1 ZINC000051649239 1042156270 /nfs/dbraw/zinc/15/62/70/1042156270.db2.gz CLGACXAMGSNNGE-UHFFFAOYSA-N 1 1 324.453 4.011 50 0 DIAAMO CC(C)[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccccc1 ZINC000051649239 1042156275 /nfs/dbraw/zinc/15/62/75/1042156275.db2.gz CLGACXAMGSNNGE-UHFFFAOYSA-N 1 1 324.453 4.011 50 0 DIAAMO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)no1 ZINC000585084811 1042206631 /nfs/dbraw/zinc/20/66/31/1042206631.db2.gz NKNWGZZFELZFLV-CQSZACIVSA-N 1 1 302.393 4.101 50 0 DIAAMO COc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccccc1 ZINC000007523598 1044394290 /nfs/dbraw/zinc/39/42/90/1044394290.db2.gz SOOYRQWTPYLIRA-UHFFFAOYSA-N 1 1 323.392 4.157 50 0 DIAAMO C[N@@H+](C[C@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000012946766 1044743152 /nfs/dbraw/zinc/74/31/52/1044743152.db2.gz HNFBZQUIHQKOBZ-NRFANRHFSA-N 1 1 317.432 4.441 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008553274 1047350615 /nfs/dbraw/zinc/35/06/15/1047350615.db2.gz SDPUJZCHSFLDDN-VBNZEHGJSA-N 1 1 314.256 4.291 50 0 DIAAMO C[N@H+](Cc1ccncc1Cl)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000075765538 1047593724 /nfs/dbraw/zinc/59/37/24/1047593724.db2.gz ZWOWWHFYZCWGNR-QGZVFWFLSA-N 1 1 304.796 4.457 50 0 DIAAMO C[N@@H+](Cc1ccncc1Cl)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000075765538 1047593728 /nfs/dbraw/zinc/59/37/28/1047593728.db2.gz ZWOWWHFYZCWGNR-QGZVFWFLSA-N 1 1 304.796 4.457 50 0 DIAAMO Cc1ccc2c(cc(C[N@H+]3CCC[C@H]3c3cccnc3)n2C)c1 ZINC000825206818 1050291384 /nfs/dbraw/zinc/29/13/84/1050291384.db2.gz UWVPRILTRRNTQX-FQEVSTJZSA-N 1 1 305.425 4.219 50 0 DIAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000826604333 1050368463 /nfs/dbraw/zinc/36/84/63/1050368463.db2.gz YTQGKCSOZURUIQ-LJQANCHMSA-N 1 1 309.388 4.348 50 0 DIAAMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)o1 ZINC000678721460 1052618484 /nfs/dbraw/zinc/61/84/84/1052618484.db2.gz HICULKUAZWPVBP-CABCVRRESA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000678721460 1052618487 /nfs/dbraw/zinc/61/84/87/1052618487.db2.gz HICULKUAZWPVBP-CABCVRRESA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000678721460 1052618490 /nfs/dbraw/zinc/61/84/90/1052618490.db2.gz HICULKUAZWPVBP-CABCVRRESA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)o1 ZINC000678721462 1052619095 /nfs/dbraw/zinc/61/90/95/1052619095.db2.gz HICULKUAZWPVBP-HUUCEWRRSA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000678721462 1052619098 /nfs/dbraw/zinc/61/90/98/1052619098.db2.gz HICULKUAZWPVBP-HUUCEWRRSA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)o1 ZINC000678721462 1052619102 /nfs/dbraw/zinc/61/91/02/1052619102.db2.gz HICULKUAZWPVBP-HUUCEWRRSA-N 1 1 324.428 4.108 50 0 DIAAMO Cc1ncsc1C[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000179425748 1053010468 /nfs/dbraw/zinc/01/04/68/1053010468.db2.gz HAYJXKYSKQKISQ-UHFFFAOYSA-N 1 1 316.470 4.405 50 0 DIAAMO Cc1ncsc1C[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000179425748 1053010471 /nfs/dbraw/zinc/01/04/71/1053010471.db2.gz HAYJXKYSKQKISQ-UHFFFAOYSA-N 1 1 316.470 4.405 50 0 DIAAMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2C)c(Cl)c1 ZINC000007845308 1053028702 /nfs/dbraw/zinc/02/87/02/1053028702.db2.gz HXLAERODDNPJNG-UHFFFAOYSA-N 1 1 316.832 4.027 50 0 DIAAMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2C)c(Cl)c1 ZINC000007845308 1053028707 /nfs/dbraw/zinc/02/87/07/1053028707.db2.gz HXLAERODDNPJNG-UHFFFAOYSA-N 1 1 316.832 4.027 50 0 DIAAMO C/C(=C\c1ccccc1)CN1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011815727 1056709347 /nfs/dbraw/zinc/70/93/47/1056709347.db2.gz AFILABJBQDDGEV-PGPKDTDWSA-N 1 1 324.512 4.288 50 0 DIAAMO C/C(=C\c1ccccc1)CN1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000011815727 1056709353 /nfs/dbraw/zinc/70/93/53/1056709353.db2.gz AFILABJBQDDGEV-PGPKDTDWSA-N 1 1 324.512 4.288 50 0 DIAAMO C/C(=C\c1ccco1)C[N@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000012317389 1057020889 /nfs/dbraw/zinc/02/08/89/1057020889.db2.gz FBZYYIZJBQSCQU-NTCAYCPXSA-N 1 1 319.408 4.131 50 0 DIAAMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(COC)c2)s1 ZINC000179222283 1057739564 /nfs/dbraw/zinc/73/95/64/1057739564.db2.gz CFPDXLAJUNHTJV-CQSZACIVSA-N 1 1 318.486 4.353 50 0 DIAAMO Cc1ccc2c(C)cc(NCCCNc3cccnc3)[nH+]c2c1C ZINC001529198895 1058636483 /nfs/dbraw/zinc/63/64/83/1058636483.db2.gz OWMGWZWIOMOIBA-UHFFFAOYSA-N 1 1 320.440 4.469 50 0 DIAAMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000082108833 192356338 /nfs/dbraw/zinc/35/63/38/192356338.db2.gz CCOFNABVGBPSNE-LBPRGKRZSA-N 1 1 324.255 4.107 50 0 DIAAMO Cc1ccc(C)c2c1CCC[C@@H]2N1CCC([NH+]2CCCC2)CC1 ZINC000095453388 185369457 /nfs/dbraw/zinc/36/94/57/185369457.db2.gz WGFCMUNGVPPUDF-FQEVSTJZSA-N 1 1 312.501 4.241 50 0 DIAAMO CCc1[nH+]ccn1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000095441066 185366347 /nfs/dbraw/zinc/36/63/47/185366347.db2.gz SLERUOCYYAIOMB-UHFFFAOYSA-N 1 1 317.845 4.195 50 0 DIAAMO COCCC[N@@H+](C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000095455993 185370061 /nfs/dbraw/zinc/37/00/61/185370061.db2.gz YXLKPRSFIFOBIH-INIZCTEOSA-N 1 1 323.440 4.055 50 0 DIAAMO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(-c3ccncc3)c2)no1 ZINC000095459792 185370805 /nfs/dbraw/zinc/37/08/05/185370805.db2.gz PPHLPAPJTWQXCL-HNNXBMFYSA-N 1 1 307.397 4.238 50 0 DIAAMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(-c3ccncc3)c2)no1 ZINC000095459792 185370806 /nfs/dbraw/zinc/37/08/06/185370806.db2.gz PPHLPAPJTWQXCL-HNNXBMFYSA-N 1 1 307.397 4.238 50 0 DIAAMO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(-c3ccncc3)c2)no1 ZINC000095459793 185370809 /nfs/dbraw/zinc/37/08/09/185370809.db2.gz PPHLPAPJTWQXCL-OAHLLOKOSA-N 1 1 307.397 4.238 50 0 DIAAMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(-c3ccncc3)c2)no1 ZINC000095459793 185370810 /nfs/dbraw/zinc/37/08/10/185370810.db2.gz PPHLPAPJTWQXCL-OAHLLOKOSA-N 1 1 307.397 4.238 50 0 DIAAMO COc1cc(C)c([C@H](C)Nc2cc[nH+]cc2Cl)cc1OC ZINC000097012356 185397020 /nfs/dbraw/zinc/39/70/20/185397020.db2.gz QCZFXRZRNBJDCP-NSHDSACASA-N 1 1 306.793 4.234 50 0 DIAAMO COC[C@@H]([NH2+][C@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 ZINC000097017186 185397409 /nfs/dbraw/zinc/39/74/09/185397409.db2.gz QDQIJUZWMADYLC-DGCLKSJQSA-N 1 1 322.474 4.380 50 0 DIAAMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cnc3ccsc3c2)s1 ZINC000097017241 185397441 /nfs/dbraw/zinc/39/74/41/185397441.db2.gz NVTVMTSPMCOILG-QWRGUYRKSA-N 1 1 303.456 4.473 50 0 DIAAMO CCNc1cc[nH+]c(NCc2cc(C)cc3c(C)c(CC)[nH]c32)n1 ZINC000071759323 191025974 /nfs/dbraw/zinc/02/59/74/191025974.db2.gz 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/nfs/dbraw/zinc/17/57/63/191175763.db2.gz NQOGZIMYEPYVTP-CQSZACIVSA-N 1 1 318.486 4.040 50 0 DIAAMO c1ccc(Cn2c(C[NH+]3CCCCC3)nc3ccccc32)cc1 ZINC000004809876 181154686 /nfs/dbraw/zinc/15/46/86/181154686.db2.gz TXKJWQIPAXUAHR-UHFFFAOYSA-N 1 1 305.425 4.071 50 0 DIAAMO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccco1 ZINC000004942822 181177076 /nfs/dbraw/zinc/17/70/76/181177076.db2.gz QORAAVMGHGXZEQ-UHFFFAOYSA-N 1 1 300.185 4.275 50 0 DIAAMO Cc1ccc(C)c(CSc2nnc([C@@H]([NH3+])CC(C)C)o2)c1 ZINC000005069791 181200626 /nfs/dbraw/zinc/20/06/26/181200626.db2.gz UTYCDIIRZNFWAH-AWEZNQCLSA-N 1 1 305.447 4.025 50 0 DIAAMO C[C@@]1(O)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000216452326 201494042 /nfs/dbraw/zinc/49/40/42/201494042.db2.gz HLDHIEWVPFJNON-OAQYLSRUSA-N 1 1 309.453 4.055 50 0 DIAAMO Cc1cccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)o2)c1 ZINC000015462026 182004124 /nfs/dbraw/zinc/00/41/24/182004124.db2.gz SWRCHZMPZLPZLL-HNNXBMFYSA-N 1 1 307.397 4.238 50 0 DIAAMO Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)o2)c1 ZINC000015462026 182004126 /nfs/dbraw/zinc/00/41/26/182004126.db2.gz SWRCHZMPZLPZLL-HNNXBMFYSA-N 1 1 307.397 4.238 50 0 DIAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836752 182020328 /nfs/dbraw/zinc/02/03/28/182020328.db2.gz SXDUSQIYCNJIHD-MRXNPFEDSA-N 1 1 317.816 4.391 50 0 DIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015837025 182020529 /nfs/dbraw/zinc/02/05/29/182020529.db2.gz FOFSOPIJPNWAOZ-HXUWFJFHSA-N 1 1 311.425 4.431 50 0 DIAAMO CC[C@H](C)[C@@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000016033432 182030254 /nfs/dbraw/zinc/03/02/54/182030254.db2.gz HPBMJTIXAXDVLJ-JOYOIKCWSA-N 1 1 311.838 4.061 50 0 DIAAMO Cc1ccc(C(C)(C)C)c(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247711 182038561 /nfs/dbraw/zinc/03/85/61/182038561.db2.gz FMWUSLYWNUBRIU-CALCHBBNSA-N 1 1 319.489 4.171 50 0 DIAAMO Cc1cc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C(C)C)c1 ZINC000016247219 182038841 /nfs/dbraw/zinc/03/88/41/182038841.db2.gz GTFXIXHZLGHJRL-HDICACEKSA-N 1 1 319.489 4.387 50 0 DIAAMO C[C@H](C[N@H+]1CCC[C@@H](c2ccccc2)C1)n1cnc2ccccc21 ZINC000019112197 182104800 /nfs/dbraw/zinc/10/48/00/182104800.db2.gz QFKDUXSSMSKSKN-IEBWSBKVSA-N 1 1 319.452 4.477 50 0 DIAAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000019771287 182145412 /nfs/dbraw/zinc/14/54/12/182145412.db2.gz SQSJKDBFOPDVHW-UWJYYQICSA-N 1 1 306.453 4.022 50 0 DIAAMO Cc1c2c(c(C)c3c1[C@]1(C)CC[C@@]3(C)[N@H+]1C)[C@]1(C)C=C[C@@]2(C)N1C ZINC000019878398 182159905 /nfs/dbraw/zinc/15/99/05/182159905.db2.gz NIKDGIJCFAIYSB-ZDNVTZCJSA-N 1 1 322.496 4.419 50 0 DIAAMO CCN1CC[NH+](Cc2csc(C)c2-c2ccc(C)cc2)CC1 ZINC000020514462 182226413 /nfs/dbraw/zinc/22/64/13/182226413.db2.gz CMJZHYSUQKYJBU-UHFFFAOYSA-N 1 1 314.498 4.169 50 0 DIAAMO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021720300 182286688 /nfs/dbraw/zinc/28/66/88/182286688.db2.gz JTCCDNMEPFOGEA-LJQANCHMSA-N 1 1 314.429 4.499 50 0 DIAAMO CCCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021720300 182286689 /nfs/dbraw/zinc/28/66/89/182286689.db2.gz JTCCDNMEPFOGEA-LJQANCHMSA-N 1 1 314.429 4.499 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cccc(Cl)c1Cl ZINC000022781208 182334280 /nfs/dbraw/zinc/33/42/80/182334280.db2.gz SXXGGFSUGFMPFD-UHOFOFEASA-N 1 1 314.256 4.291 50 0 DIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCC(C(C)(C)C)CC2)C1 ZINC000023283394 182355385 /nfs/dbraw/zinc/35/53/85/182355385.db2.gz VSEDVSKIPIJAEK-WWDZGPRUSA-N 1 1 322.537 4.172 50 0 DIAAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCCc2ccccc21 ZINC000024829961 182392417 /nfs/dbraw/zinc/39/24/17/182392417.db2.gz DBKQBWBEEIPDOQ-NRFANRHFSA-N 1 1 317.436 4.382 50 0 DIAAMO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000025396978 182412759 /nfs/dbraw/zinc/41/27/59/182412759.db2.gz SZXBMFRUZUOBIV-ZDUSSCGKSA-N 1 1 316.832 4.192 50 0 DIAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccccn1)C1CCCCC1 ZINC000026492352 182443715 /nfs/dbraw/zinc/44/37/15/182443715.db2.gz BTCNKPNYAWVSBN-UHFFFAOYSA-N 1 1 323.440 4.098 50 0 DIAAMO Cc1ccccc1CN1CC[N@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039769790 183021926 /nfs/dbraw/zinc/02/19/26/183021926.db2.gz JBNGYRVTKLXUGR-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccccc1C[N@@H+]1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039769790 183021928 /nfs/dbraw/zinc/02/19/28/183021928.db2.gz JBNGYRVTKLXUGR-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccccc1C[N@H+]1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039769790 183021929 /nfs/dbraw/zinc/02/19/29/183021929.db2.gz JBNGYRVTKLXUGR-RTWAWAEBSA-N 1 1 312.501 4.224 50 0 DIAAMO COc1ccc([C@H](C)[N@@H+](C)CCO[C@H]2CCCC[C@H]2C)cc1 ZINC000058932660 184132286 /nfs/dbraw/zinc/13/22/86/184132286.db2.gz QTNWFIKCEJOOLS-GJYPPUQNSA-N 1 1 305.462 4.283 50 0 DIAAMO Cc1cc(C[N@H+]2CCC[C@H]2Cc2cccc3ccccc32)on1 ZINC000060890509 184157393 /nfs/dbraw/zinc/15/73/93/184157393.db2.gz ZUOBLDPPXPELLS-SFHVURJKSA-N 1 1 306.409 4.343 50 0 DIAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2OC(C)C)on1 ZINC000064667013 184302038 /nfs/dbraw/zinc/30/20/38/184302038.db2.gz WDWKGIJXRMCRRA-QGZVFWFLSA-N 1 1 314.429 4.361 50 0 DIAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2ccccc2OC(C)C)on1 ZINC000064667013 184302041 /nfs/dbraw/zinc/30/20/41/184302041.db2.gz WDWKGIJXRMCRRA-QGZVFWFLSA-N 1 1 314.429 4.361 50 0 DIAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064667147 184302388 /nfs/dbraw/zinc/30/23/88/184302388.db2.gz GOLBOEWXUFMOOF-QGZVFWFLSA-N 1 1 300.402 4.144 50 0 DIAAMO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000007987445 256522355 /nfs/dbraw/zinc/52/23/55/256522355.db2.gz UNADOLPXZRCBGS-UONOGXRCSA-N 1 1 322.408 4.099 50 0 DIAAMO Cc1ccc2nc(C[N@H+]3CCC[C@H](c4ccccc4)C3)cn2c1 ZINC000560541550 332355393 /nfs/dbraw/zinc/35/53/93/332355393.db2.gz BDDOVKHSPUTCHY-SFHVURJKSA-N 1 1 305.425 4.022 50 0 DIAAMO C(=C\[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000542803051 341021256 /nfs/dbraw/zinc/02/12/56/341021256.db2.gz SVWGOFXMTQVQNN-SNGWPZLWSA-N 1 1 321.380 4.007 50 0 DIAAMO C(=C\[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000542803051 341021257 /nfs/dbraw/zinc/02/12/57/341021257.db2.gz SVWGOFXMTQVQNN-SNGWPZLWSA-N 1 1 321.380 4.007 50 0 DIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3C)c2cc1Cl ZINC000002358051 563927219 /nfs/dbraw/zinc/92/72/19/563927219.db2.gz IWBGOPQIZMLDEE-GFCCVEGCSA-N 1 1 305.805 4.129 50 0 DIAAMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000012387080 563368215 /nfs/dbraw/zinc/36/82/15/563368215.db2.gz DXZUGEBKHROFSJ-CQSZACIVSA-N 1 1 323.889 4.130 50 0 DIAAMO C[NH+]1CCC(=C2c3ccsc3C(=O)Cc3ccccc32)CC1 ZINC000000004351 563211143 /nfs/dbraw/zinc/21/11/43/563211143.db2.gz ZCVMWBYGMWKGHF-UHFFFAOYSA-N 1 1 309.434 4.014 50 0 fda DIAAMO O=C(c1ccc(C[NH+]2CCC2)cc1)c1ccc(Cl)cc1Cl ZINC000002514639 563305213 /nfs/dbraw/zinc/30/52/13/563305213.db2.gz VVNOUUGCFHINAS-UHFFFAOYSA-N 1 1 320.219 4.430 50 0 DIAAMO O=C(c1cccc(C[NH+]2CCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000002515133 563306151 /nfs/dbraw/zinc/30/61/51/563306151.db2.gz CIMXLOKWUQCXTR-UHFFFAOYSA-N 1 1 319.326 4.142 50 0 DIAAMO O=C(c1ccc(F)c(Cl)c1)c1ccccc1C[NH+]1CC=CC1 ZINC000002515900 563306247 /nfs/dbraw/zinc/30/62/47/563306247.db2.gz CCTUAVNYKHZUFE-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO CC[C@H](C)[C@H]([NH3+])c1nnc(SCc2cccc(Cl)c2)o1 ZINC000007952021 563343488 /nfs/dbraw/zinc/34/34/88/563343488.db2.gz ALDQXBYSACIHTH-CABZTGNLSA-N 1 1 311.838 4.061 50 0 DIAAMO C[C@@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl ZINC000008553293 563348093 /nfs/dbraw/zinc/34/80/93/563348093.db2.gz UZHMQBMKYWOFAJ-MJBXVCDLSA-N 1 1 309.837 4.148 50 0 DIAAMO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@H]1CCc1cccs1 ZINC000032561114 563358320 /nfs/dbraw/zinc/35/83/20/563358320.db2.gz WUELLVLVCYURSI-INIZCTEOSA-N 1 1 317.502 4.086 50 0 DIAAMO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000032561113 563358414 /nfs/dbraw/zinc/35/84/14/563358414.db2.gz WUELLVLVCYURSI-MRXNPFEDSA-N 1 1 317.502 4.086 50 0 DIAAMO Cc1c([C@@H](C)[NH2+]Cc2ccccc2F)cnn1-c1ccccc1 ZINC000011709117 563359285 /nfs/dbraw/zinc/35/92/85/563359285.db2.gz GTRHNRJAAGYOFV-CQSZACIVSA-N 1 1 309.388 4.171 50 0 DIAAMO Cc1ccccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2C)C1 ZINC000011839940 563359911 /nfs/dbraw/zinc/35/99/11/563359911.db2.gz VNRYNSNLDGVKKC-QFIPXVFZSA-N 1 1 323.480 4.121 50 0 DIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000012707960 563372145 /nfs/dbraw/zinc/37/21/45/563372145.db2.gz LEAPPSAWKDFVQW-CYBMUJFWSA-N 1 1 311.347 4.153 50 0 DIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000012713671 563372926 /nfs/dbraw/zinc/37/29/26/563372926.db2.gz FLHXVEUWLLPBAM-ZDUSSCGKSA-N 1 1 311.347 4.153 50 0 DIAAMO CCc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3C)c2cc1Cl ZINC000032652312 563375573 /nfs/dbraw/zinc/37/55/73/563375573.db2.gz OBMVSYKIKVNXGQ-GFCCVEGCSA-N 1 1 319.832 4.383 50 0 DIAAMO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccco3)c2)cc1 ZINC000014138252 563396444 /nfs/dbraw/zinc/39/64/44/563396444.db2.gz WUVODKZWRHJWPH-UHFFFAOYSA-N 1 1 320.392 4.130 50 0 DIAAMO S=c1n(C[N@H+]2CCC[C@@H]2c2ccccc2)cc2ccccn21 ZINC000014309194 563400426 /nfs/dbraw/zinc/40/04/26/563400426.db2.gz BZGNDVCWURUFSI-QGZVFWFLSA-N 1 1 309.438 4.265 50 0 DIAAMO Cc1ccc(CCC[N@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc1 ZINC000020541567 563417452 /nfs/dbraw/zinc/41/74/52/563417452.db2.gz AAGUMYWXGXCFEF-NRFANRHFSA-N 1 1 324.468 4.004 50 0 DIAAMO Cc1ccc(CCC[N@H+](Cc2ccncc2)C[C@H]2CCCO2)cc1 ZINC000020541569 563417742 /nfs/dbraw/zinc/41/77/42/563417742.db2.gz AAGUMYWXGXCFEF-OAQYLSRUSA-N 1 1 324.468 4.004 50 0 DIAAMO CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000025396983 563422944 /nfs/dbraw/zinc/42/29/44/563422944.db2.gz SZXBMFRUZUOBIV-CYBMUJFWSA-N 1 1 316.832 4.192 50 0 DIAAMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018648 563443753 /nfs/dbraw/zinc/44/37/53/563443753.db2.gz RYLYVLWETITNMK-UHFFFAOYSA-N 1 1 321.420 4.432 50 0 DIAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000022078284 563449013 /nfs/dbraw/zinc/44/90/13/563449013.db2.gz LNEOUCDXRBFVTR-UTKZUKDTSA-N 1 1 322.452 4.147 50 0 DIAAMO C[NH+](C)CCNCc1ccccc1Sc1ccccc1Cl ZINC000035287364 563452880 /nfs/dbraw/zinc/45/28/80/563452880.db2.gz KEFJETYMHIDAFA-UHFFFAOYSA-N 1 1 320.889 4.142 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1ccc(O)c(Cl)c1 ZINC000055089005 563470969 /nfs/dbraw/zinc/47/09/69/563470969.db2.gz DKAQSKJVLSUHGQ-ZDUSSCGKSA-N 1 1 304.821 4.241 50 0 DIAAMO CCn1nc(C)c(C[N@@H+](CC)C/C(C)=C/c2ccco2)c1C ZINC000055060699 563471153 /nfs/dbraw/zinc/47/11/53/563471153.db2.gz IUUOPLBPKSGUQO-SDNWHVSQSA-N 1 1 301.434 4.038 50 0 DIAAMO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccco1)[C@@H](C)C(C)C ZINC000055100118 563471218 /nfs/dbraw/zinc/47/12/18/563471218.db2.gz RISZBFKQXCQDLI-ZDUSSCGKSA-N 1 1 323.868 4.276 50 0 DIAAMO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccco1)[C@@H](C)C(C)C ZINC000055100118 563471220 /nfs/dbraw/zinc/47/12/20/563471220.db2.gz RISZBFKQXCQDLI-ZDUSSCGKSA-N 1 1 323.868 4.276 50 0 DIAAMO COCC[N@H+](Cc1ccccc1F)Cc1ccnc2ccccc12 ZINC000055414787 563475245 /nfs/dbraw/zinc/47/52/45/563475245.db2.gz QVPIKNRGIOWCBT-UHFFFAOYSA-N 1 1 324.399 4.023 50 0 DIAAMO COCC[N@@H+](Cc1ccccc1F)Cc1ccnc2ccccc12 ZINC000055414787 563475249 /nfs/dbraw/zinc/47/52/49/563475249.db2.gz QVPIKNRGIOWCBT-UHFFFAOYSA-N 1 1 324.399 4.023 50 0 DIAAMO Clc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000055543635 563476409 /nfs/dbraw/zinc/47/64/09/563476409.db2.gz CFZSTAZHERQKDY-UHFFFAOYSA-N 1 1 321.251 4.316 50 0 DIAAMO CC[C@@H](C)[N@@H+](Cc1ccncc1)Cc1ccc(O)c(Cl)c1 ZINC000063847249 563485587 /nfs/dbraw/zinc/48/55/87/563485587.db2.gz UOSJZNFBGHLOJI-CYBMUJFWSA-N 1 1 304.821 4.241 50 0 DIAAMO Cc1ccccc1OC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000067655010 563488720 /nfs/dbraw/zinc/48/87/20/563488720.db2.gz AFVICMCKOOMKEF-AWEZNQCLSA-N 1 1 301.352 4.038 50 0 DIAAMO CC(C)c1cc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n[nH]1 ZINC000067741834 563489295 /nfs/dbraw/zinc/48/92/95/563489295.db2.gz CEXFJKJRKCQKLF-UHFFFAOYSA-N 1 1 319.399 4.191 50 0 DIAAMO C[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000067716185 563489511 /nfs/dbraw/zinc/48/95/11/563489511.db2.gz NFEHJIMDBIRVKR-GFCCVEGCSA-N 1 1 310.319 4.173 50 0 DIAAMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000067716185 563489513 /nfs/dbraw/zinc/48/95/13/563489513.db2.gz NFEHJIMDBIRVKR-GFCCVEGCSA-N 1 1 310.319 4.173 50 0 DIAAMO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccsc3)C3CC3)cc2c1 ZINC000067821535 563491434 /nfs/dbraw/zinc/49/14/34/563491434.db2.gz XXYUSKCFVYPIJW-UHFFFAOYSA-N 1 1 324.449 4.063 50 0 DIAAMO Cc1ccsc1C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000077340864 563509403 /nfs/dbraw/zinc/50/94/03/563509403.db2.gz ICLIZBCHRBQNJT-CQSZACIVSA-N 1 1 311.454 4.312 50 0 DIAAMO CC(C)C[C@@H](O)C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000077406095 563510217 /nfs/dbraw/zinc/51/02/17/563510217.db2.gz WFRUDVDDVMQLBI-QGZVFWFLSA-N 1 1 313.844 4.098 50 0 DIAAMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000247991661 563536653 /nfs/dbraw/zinc/53/66/53/563536653.db2.gz NBYKEYBTYQIATB-YOEHRIQHSA-N 1 1 314.454 4.221 50 0 DIAAMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000247991661 563536654 /nfs/dbraw/zinc/53/66/54/563536654.db2.gz NBYKEYBTYQIATB-YOEHRIQHSA-N 1 1 314.454 4.221 50 0 DIAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(-c3ccco3)c2)C1 ZINC000097742801 563541961 /nfs/dbraw/zinc/54/19/61/563541961.db2.gz JPBDLCWMYXIMNL-NRFANRHFSA-N 1 1 319.404 4.040 50 0 DIAAMO COc1ccc(Nc2cc(C)[nH+]c(NCc3ccccc3)n2)cc1 ZINC000000317967 563587920 /nfs/dbraw/zinc/58/79/20/563587920.db2.gz SSTCHTLFFVJUGP-UHFFFAOYSA-N 1 1 320.396 4.149 50 0 DIAAMO Cc1c(O)ccc2c(C[N@H+](C)[C@H](C)c3ccccc3)cc(=O)oc12 ZINC000012979309 563596047 /nfs/dbraw/zinc/59/60/47/563596047.db2.gz OCUVKVIVKKZXSB-CQSZACIVSA-N 1 1 323.392 4.000 50 0 DIAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124073400 563599293 /nfs/dbraw/zinc/59/92/93/563599293.db2.gz DBQNXTRFKXNREF-LJQANCHMSA-N 1 1 312.388 4.121 50 0 DIAAMO Cc1cccc2[nH+]c(-c3cccnc3)c(NC3CCCCC3)n21 ZINC000000417867 563611296 /nfs/dbraw/zinc/61/12/96/563611296.db2.gz WHKWFOMGXZDAQZ-UHFFFAOYSA-N 1 1 306.413 4.449 50 0 DIAAMO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000007987446 563615758 /nfs/dbraw/zinc/61/57/58/563615758.db2.gz UNADOLPXZRCBGS-ZIAGYGMSSA-N 1 1 322.408 4.099 50 0 DIAAMO C[C@@H](C[N@@H+]1CC=CCC1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000100812188 563700025 /nfs/dbraw/zinc/70/00/25/563700025.db2.gz JRLONDNYHCBKKH-SIKLNZKXSA-N 1 1 321.464 4.015 50 0 DIAAMO C[N@@H+](CCc1ccccn1)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215236641 563704590 /nfs/dbraw/zinc/70/45/90/563704590.db2.gz PPUBUBNEFOVJGZ-KRWDZBQOSA-N 1 1 316.470 4.059 50 0 DIAAMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccc3ccn(C)c3c2)no1 ZINC000216003498 563707631 /nfs/dbraw/zinc/70/76/31/563707631.db2.gz IQSKYMHVEFTXJW-GOSISDBHSA-N 1 1 309.413 4.202 50 0 DIAAMO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccc3ccn(C)c3c2)no1 ZINC000216003498 563707633 /nfs/dbraw/zinc/70/76/33/563707633.db2.gz IQSKYMHVEFTXJW-GOSISDBHSA-N 1 1 309.413 4.202 50 0 DIAAMO Cn1c(C[N@H+]2CCCCC[C@H]2C2CCCCC2)nnc1C1CC1 ZINC000225397044 563754163 /nfs/dbraw/zinc/75/41/63/563754163.db2.gz KDQDHMNTDAAJMR-KRWDZBQOSA-N 1 1 316.493 4.017 50 0 DIAAMO Cc1nc2c(n1[C@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)CCCC2 ZINC000225430916 563755477 /nfs/dbraw/zinc/75/54/77/563755477.db2.gz QQRZSKBVCSKMCD-QAPCUYQASA-N 1 1 309.457 4.078 50 0 DIAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCc1ccccc1 ZINC000051999041 563783467 /nfs/dbraw/zinc/78/34/67/563783467.db2.gz MLKZJEVWELDAIB-CYBMUJFWSA-N 1 1 313.426 4.034 50 0 DIAAMO CC[C@@H](C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000299787651 563806288 /nfs/dbraw/zinc/80/62/88/563806288.db2.gz YBKLAMPEVVEFDI-ZBFHGGJFSA-N 1 1 315.436 4.441 50 0 DIAAMO CC[C@H](C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000299787649 563806495 /nfs/dbraw/zinc/80/64/95/563806495.db2.gz YBKLAMPEVVEFDI-GOEBONIOSA-N 1 1 315.436 4.441 50 0 DIAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803638 563807976 /nfs/dbraw/zinc/80/79/76/563807976.db2.gz FNRJSDNSXYYKNR-BLLLJJGKSA-N 1 1 318.417 4.051 50 0 DIAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803638 563807979 /nfs/dbraw/zinc/80/79/79/563807979.db2.gz FNRJSDNSXYYKNR-BLLLJJGKSA-N 1 1 318.417 4.051 50 0 DIAAMO Cn1c(Cl)cnc1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000084303819 563825641 /nfs/dbraw/zinc/82/56/41/563825641.db2.gz JWZWLOGOZNIVHQ-INIZCTEOSA-N 1 1 315.848 4.116 50 0 DIAAMO Cn1c(Cl)cnc1C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000084303819 563825646 /nfs/dbraw/zinc/82/56/46/563825646.db2.gz JWZWLOGOZNIVHQ-INIZCTEOSA-N 1 1 315.848 4.116 50 0 DIAAMO Clc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000084343483 563826225 /nfs/dbraw/zinc/82/62/25/563826225.db2.gz RJOWDVFJYDYGEY-OAHLLOKOSA-N 1 1 323.223 4.042 50 0 DIAAMO Clc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000084343483 563826228 /nfs/dbraw/zinc/82/62/28/563826228.db2.gz RJOWDVFJYDYGEY-OAHLLOKOSA-N 1 1 323.223 4.042 50 0 DIAAMO c1sc2ccccc2c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000066342451 563894742 /nfs/dbraw/zinc/89/47/42/563894742.db2.gz POMQELBPVMWPED-UHFFFAOYSA-N 1 1 322.477 4.219 50 0 DIAAMO Fc1cccc(F)c1C[N@H+](Cc1ccncc1)C1CCCC1 ZINC000089768117 563911346 /nfs/dbraw/zinc/91/13/46/563911346.db2.gz STRCOOUPHUUECT-UHFFFAOYSA-N 1 1 302.368 4.305 50 0 DIAAMO Fc1cccc(F)c1C[N@@H+](Cc1ccncc1)C1CCCC1 ZINC000089768117 563911347 /nfs/dbraw/zinc/91/13/47/563911347.db2.gz STRCOOUPHUUECT-UHFFFAOYSA-N 1 1 302.368 4.305 50 0 DIAAMO C/C=C/c1ccc(OCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000002823364 563913091 /nfs/dbraw/zinc/91/30/91/563913091.db2.gz PZSOOIFECZNCKM-RRGWEWPQSA-N 1 1 303.446 4.229 50 0 DIAAMO CC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1ccc2[nH]ccc2c1 ZINC000252508091 563916385 /nfs/dbraw/zinc/91/63/85/563916385.db2.gz XCKPVBZETCRKDY-UHFFFAOYSA-N 1 1 310.445 4.043 50 0 DIAAMO Cc1ccccc1NC(=O)C[C@@H]1c2ccccc2CC(C)(C)[N@H+]1C ZINC000000343577 563920450 /nfs/dbraw/zinc/92/04/50/563920450.db2.gz UKYROQSLELFTPS-LJQANCHMSA-N 1 1 322.452 4.331 50 0 biogenic DIAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2C(F)(F)F)c1 ZINC000079092939 563930267 /nfs/dbraw/zinc/93/02/67/563930267.db2.gz ZZCAEQQJBATUFJ-OAHLLOKOSA-N 1 1 323.362 4.084 50 0 DIAAMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2C(F)(F)F)c1 ZINC000079092939 563930268 /nfs/dbraw/zinc/93/02/68/563930268.db2.gz ZZCAEQQJBATUFJ-OAHLLOKOSA-N 1 1 323.362 4.084 50 0 DIAAMO O=C(C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1)Nc1ccccc1 ZINC000079103715 563930309 /nfs/dbraw/zinc/93/03/09/563930309.db2.gz VWFOIORFOGTVHU-RXVVDRJESA-N 1 1 320.436 4.026 50 0 DIAAMO CC(C)Cn1ccnc1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000095423176 563931548 /nfs/dbraw/zinc/93/15/48/563931548.db2.gz DBGMRWJXRZIQSL-JSGCOSHPSA-N 1 1 321.515 4.316 50 0 DIAAMO COC[C@H]([NH2+][C@H]1C[C@@H](C)Sc2ccccc21)c1ccco1 ZINC000095968845 563933156 /nfs/dbraw/zinc/93/31/56/563933156.db2.gz SYQUNUCFCQBUAN-SNPRPXQTSA-N 1 1 303.427 4.182 50 0 DIAAMO C[C@H]1C[C@H](Nc2cccc(CCC(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000095980644 563933956 /nfs/dbraw/zinc/93/39/56/563933956.db2.gz PIYIBLCEFXOEIF-WFASDCNBSA-N 1 1 312.379 4.219 50 0 DIAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([C@@H](C)O)C3)c2)cc1 ZINC000096003586 563934631 /nfs/dbraw/zinc/93/46/31/563934631.db2.gz RYPDREVQBFRYQL-UTKZUKDTSA-N 1 1 309.453 4.255 50 0 DIAAMO COCc1n[nH]c(C)c1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000096148705 563935882 /nfs/dbraw/zinc/93/58/82/563935882.db2.gz AQVBMFMSSNIPRM-HNNXBMFYSA-N 1 1 313.445 4.078 50 0 DIAAMO CCCc1cnc(NCC[C@@H]2CCCC[N@H+]2C2CCCC2)nc1 ZINC000670460170 563945451 /nfs/dbraw/zinc/94/54/51/563945451.db2.gz ZJACSRRGOPEJCG-SFHVURJKSA-N 1 1 316.493 4.028 50 0 DIAAMO Cc1cccc(CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000670462759 563945572 /nfs/dbraw/zinc/94/55/72/563945572.db2.gz LDGCOBSABPMBCM-MRXNPFEDSA-N 1 1 300.833 4.075 50 0 DIAAMO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@@H+]1CCC[C@@H](C)C1 ZINC000008717154 563949935 /nfs/dbraw/zinc/94/99/35/563949935.db2.gz DJJFNASQPGYBEM-LLVKDONJSA-N 1 1 318.848 4.443 50 0 DIAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)c1c[nH]c2ccccc12 ZINC000008723483 563950249 /nfs/dbraw/zinc/95/02/49/563950249.db2.gz WXGXRANPHJZJSI-UHFFFAOYSA-N 1 1 322.383 4.154 50 0 DIAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)c1c[nH]c2ccccc12 ZINC000008723483 563950250 /nfs/dbraw/zinc/95/02/50/563950250.db2.gz WXGXRANPHJZJSI-UHFFFAOYSA-N 1 1 322.383 4.154 50 0 DIAAMO Cc1oc(-c2ccco2)nc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000069736877 563954305 /nfs/dbraw/zinc/95/43/05/563954305.db2.gz HHGMEZBNOHIZQH-UHFFFAOYSA-N 1 1 308.381 4.412 50 0 DIAAMO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1C ZINC000007454775 568419549 /nfs/dbraw/zinc/41/95/49/568419549.db2.gz YQSHDPQPQMWNFY-OAHLLOKOSA-N 1 1 314.404 4.074 50 0 DIAAMO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1C ZINC000007454775 568419552 /nfs/dbraw/zinc/41/95/52/568419552.db2.gz YQSHDPQPQMWNFY-OAHLLOKOSA-N 1 1 314.404 4.074 50 0 DIAAMO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c1C ZINC000007454770 568419577 /nfs/dbraw/zinc/41/95/77/568419577.db2.gz YQSHDPQPQMWNFY-HNNXBMFYSA-N 1 1 314.404 4.074 50 0 DIAAMO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1C ZINC000007454770 568419578 /nfs/dbraw/zinc/41/95/78/568419578.db2.gz YQSHDPQPQMWNFY-HNNXBMFYSA-N 1 1 314.404 4.074 50 0 DIAAMO CC(=O)Nc1cccc2c1CC[N@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000193787175 1037221747 /nfs/dbraw/zinc/22/17/47/1037221747.db2.gz QPIZSFRBEKEYDV-MRXNPFEDSA-N 1 1 322.452 4.197 50 0 DIAAMO C[N@@H+](C[C@H](O)c1ccccc1)C1CCC(c2ccccc2)CC1 ZINC000002498179 1037583427 /nfs/dbraw/zinc/58/34/27/1037583427.db2.gz JNDHWHCBYVIBNC-MNLRITNHSA-N 1 1 309.453 4.378 50 0 DIAAMO C[C@H](CC[N@@H+](CCN(C)C)Cc1ccccc1)c1ccccc1 ZINC000023282195 1040550860 /nfs/dbraw/zinc/55/08/60/1040550860.db2.gz KQYBVUIVHKKTTK-LJQANCHMSA-N 1 1 310.485 4.244 50 0 DIAAMO C[C@H](CCN(CC[NH+](C)C)Cc1ccccc1)c1ccccc1 ZINC000023282195 1040550878 /nfs/dbraw/zinc/55/08/78/1040550878.db2.gz KQYBVUIVHKKTTK-LJQANCHMSA-N 1 1 310.485 4.244 50 0 DIAAMO O[C@@H](C[N@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1Cl ZINC000046037256 1041960657 /nfs/dbraw/zinc/96/06/57/1041960657.db2.gz OZDUOFPLUCZIBS-MSOLQXFVSA-N 1 1 301.817 4.211 50 0 DIAAMO O[C@@H](C[N@@H+](Cc1cccs1)C1CC1)c1ccccc1Cl ZINC000046054388 1041960851 /nfs/dbraw/zinc/96/08/51/1041960851.db2.gz GIEUBQDYIINCTP-INIZCTEOSA-N 1 1 307.846 4.100 50 0 DIAAMO CCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C)c1ccccc1 ZINC000048353972 1041991742 /nfs/dbraw/zinc/99/17/42/1041991742.db2.gz NSYFHNRPUKBONW-HXUWFJFHSA-N 1 1 322.452 4.185 50 0 DIAAMO O[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977898 1042119796 /nfs/dbraw/zinc/11/97/96/1042119796.db2.gz DLJIWGXIMPFJLY-MRXNPFEDSA-N 1 1 317.816 4.089 50 0 DIAAMO Fc1cccc(F)c1C1([NH2+]Cc2ccc3[nH]cnc3c2)CCC1 ZINC000585123229 1042236564 /nfs/dbraw/zinc/23/65/64/1042236564.db2.gz HJPGJHIGQGIBNH-UHFFFAOYSA-N 1 1 313.351 4.010 50 0 DIAAMO Fc1cccc(F)c1C1([NH2+]Cc2ccc3nc[nH]c3c2)CCC1 ZINC000585123229 1042236570 /nfs/dbraw/zinc/23/65/70/1042236570.db2.gz HJPGJHIGQGIBNH-UHFFFAOYSA-N 1 1 313.351 4.010 50 0 DIAAMO COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)c2ccoc2)c1 ZINC000178741425 1042445540 /nfs/dbraw/zinc/44/55/40/1042445540.db2.gz SVQFDSYFPPEKJT-AWEZNQCLSA-N 1 1 324.380 4.326 50 0 DIAAMO C[C@@H]1C[N@H+](CCCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000013153554 1043801025 /nfs/dbraw/zinc/80/10/25/1043801025.db2.gz XTAGUVIWDFNXPH-OKILXGFUSA-N 1 1 313.894 4.322 50 0 DIAAMO CC(C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000019731746 1045579475 /nfs/dbraw/zinc/57/94/75/1045579475.db2.gz CJTFJCDGPSXKKJ-ZDUSSCGKSA-N 1 1 319.399 4.190 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000000242788 1047312962 /nfs/dbraw/zinc/31/29/62/1047312962.db2.gz MFCPDRXLSFEJIH-CWRNSKLLSA-N 1 1 314.256 4.291 50 0 DIAAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1nc(-c2ccccc2)cs1 ZINC000823719824 1050155307 /nfs/dbraw/zinc/15/53/07/1050155307.db2.gz JZEXEJKHQTZYCC-MRXNPFEDSA-N 1 1 316.470 4.201 50 0 DIAAMO C[N@H+]1CCC[C@@H](NC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000952881212 1051120782 /nfs/dbraw/zinc/12/07/82/1051120782.db2.gz GJOYKHPLHIXMPD-QGZVFWFLSA-N 1 1 323.440 4.019 50 0 DIAAMO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cccc(F)c1F ZINC000181344088 1053190503 /nfs/dbraw/zinc/19/05/03/1053190503.db2.gz CBXDBHNLQGRBSY-LBPRGKRZSA-N 1 1 320.383 4.388 50 0 DIAAMO C[C@@H]([N@H+](C)Cc1csc(COc2ccccc2)n1)C1(C)CC1 ZINC000177222291 1054616685 /nfs/dbraw/zinc/61/66/85/1054616685.db2.gz PQQHUNRPGKMLGP-CQSZACIVSA-N 1 1 316.470 4.343 50 0 DIAAMO C[C@@H]([N@@H+](C)Cc1csc(COc2ccccc2)n1)C1(C)CC1 ZINC000177222291 1054616690 /nfs/dbraw/zinc/61/66/90/1054616690.db2.gz PQQHUNRPGKMLGP-CQSZACIVSA-N 1 1 316.470 4.343 50 0 DIAAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309921973 1056622857 /nfs/dbraw/zinc/62/28/57/1056622857.db2.gz RESUTTWFXRXMTK-WAOWUJCRSA-N 1 1 308.469 4.248 50 0 DIAAMO Cc1ccc(N[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1C ZINC000011816602 1056710425 /nfs/dbraw/zinc/71/04/25/1056710425.db2.gz UFTULKWOZAZTKB-QGZVFWFLSA-N 1 1 304.503 4.075 50 0 DIAAMO CCC(CC)c1cc(C[NH2+][C@H]2CCc3ccc(OC)cc32)on1 ZINC000121148835 1057008091 /nfs/dbraw/zinc/00/80/91/1057008091.db2.gz HVNFTSIWHXOXCN-SFHVURJKSA-N 1 1 314.429 4.364 50 0 DIAAMO Cc1ccc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)ncc32)o1 ZINC000012387556 1057097668 /nfs/dbraw/zinc/09/76/68/1057097668.db2.gz MEVHUQCLKXRRSP-SFHVURJKSA-N 1 1 319.408 4.212 50 0 DIAAMO c1ccc2c(c1)oc1c2cccc1C[NH+]1CC(N2CCCCC2)C1 ZINC000820414252 1057762133 /nfs/dbraw/zinc/76/21/33/1057762133.db2.gz ZUFNCMCQWAASEZ-UHFFFAOYSA-N 1 1 320.436 4.256 50 0 DIAAMO CCC[C@@H]1C=CC[N@@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000822804637 1057809697 /nfs/dbraw/zinc/80/96/97/1057809697.db2.gz ZIVYYUCPJHRFEE-QGZVFWFLSA-N 1 1 304.503 4.275 50 0 DIAAMO CCC[C@@H]1C=CC[N@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000822804637 1057809701 /nfs/dbraw/zinc/80/97/01/1057809701.db2.gz ZIVYYUCPJHRFEE-QGZVFWFLSA-N 1 1 304.503 4.275 50 0 DIAAMO CCC[C@H]1C=CC[N@@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000822804636 1057809930 /nfs/dbraw/zinc/80/99/30/1057809930.db2.gz ZIVYYUCPJHRFEE-KRWDZBQOSA-N 1 1 304.503 4.275 50 0 DIAAMO CCC[C@H]1C=CC[N@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000822804636 1057809935 /nfs/dbraw/zinc/80/99/35/1057809935.db2.gz ZIVYYUCPJHRFEE-KRWDZBQOSA-N 1 1 304.503 4.275 50 0 DIAAMO CCOc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)ccc1OC ZINC000823364528 1057827551 /nfs/dbraw/zinc/82/75/51/1057827551.db2.gz JCTVLHBCLHHSOQ-DLBZAZTESA-N 1 1 303.446 4.249 50 0 DIAAMO Cc1cc(C)n(C2CN(c3cc(C)c4ccc(C)c(C)c4[nH+]3)C2)n1 ZINC001529099170 1058607124 /nfs/dbraw/zinc/60/71/24/1058607124.db2.gz SFQAOASUEVHOPC-UHFFFAOYSA-N 1 1 320.440 4.035 50 0 DIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001506416779 1063506877 /nfs/dbraw/zinc/50/68/77/1063506877.db2.gz LXAAUMLOYTYFJT-LJQANCHMSA-N 1 1 310.441 4.140 50 0 DIAAMO C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)[C@H]1CCN(c2ccccc2)C1 ZINC001506417804 1063509633 /nfs/dbraw/zinc/50/96/33/1063509633.db2.gz BSZJPCUAQDLSIX-IBGZPJMESA-N 1 1 323.415 4.018 50 0 DIAAMO C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000095520086 185377203 /nfs/dbraw/zinc/37/72/03/185377203.db2.gz URHKIYYKMDEBJH-KRWDZBQOSA-N 1 1 314.816 4.040 50 0 DIAAMO Cc1nnc(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)o1 ZINC000096982228 185395210 /nfs/dbraw/zinc/39/52/10/185395210.db2.gz JTARPMLCERPEPG-GOSISDBHSA-N 1 1 301.434 4.063 50 0 DIAAMO CCOCc1cc(C[N@@H+]([C@H](C)C(C)C)C2CC2)ccc1OC ZINC000095453802 185369401 /nfs/dbraw/zinc/36/94/01/185369401.db2.gz SNSVPBUEADQCER-OAHLLOKOSA-N 1 1 305.462 4.241 50 0 DIAAMO Cc1ccc(C)c2c1CCC[C@H]2N1CCC([NH+]2CCCC2)CC1 ZINC000095453389 185369460 /nfs/dbraw/zinc/36/94/60/185369460.db2.gz WGFCMUNGVPPUDF-HXUWFJFHSA-N 1 1 312.501 4.241 50 0 DIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000072115906 191037538 /nfs/dbraw/zinc/03/75/38/191037538.db2.gz QBEPVZBWCMZTGM-MRXNPFEDSA-N 1 1 323.868 4.116 50 0 DIAAMO c1ncn(C2CCCCC2)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000072156183 191059338 /nfs/dbraw/zinc/05/93/38/191059338.db2.gz NYICGRMPXPJVQQ-LJQANCHMSA-N 1 1 310.445 4.120 50 0 DIAAMO c1ncn(C2CCCCC2)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000072156183 191059341 /nfs/dbraw/zinc/05/93/41/191059341.db2.gz NYICGRMPXPJVQQ-LJQANCHMSA-N 1 1 310.445 4.120 50 0 DIAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000072170447 191068177 /nfs/dbraw/zinc/06/81/77/191068177.db2.gz LZQJVRJEMZMFAA-IBGZPJMESA-N 1 1 309.388 4.348 50 0 DIAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000072458432 191173526 /nfs/dbraw/zinc/17/35/26/191173526.db2.gz OXXPLWMRLFTGDL-GOSISDBHSA-N 1 1 323.396 4.015 50 0 DIAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000003326530 181005498 /nfs/dbraw/zinc/00/54/98/181005498.db2.gz GFVXCTGIMAPMEN-UHFFFAOYSA-N 1 1 324.468 4.497 50 0 DIAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000003326530 181005500 /nfs/dbraw/zinc/00/55/00/181005500.db2.gz GFVXCTGIMAPMEN-UHFFFAOYSA-N 1 1 324.468 4.497 50 0 DIAAMO CCCC[N@@H+](CC)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000003381055 181013690 /nfs/dbraw/zinc/01/36/90/181013690.db2.gz LUGKPWICKMNDAN-SFHVURJKSA-N 1 1 321.505 4.154 50 0 DIAAMO CCCCCO[P@](C)(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004026827 181063957 /nfs/dbraw/zinc/06/39/57/181063957.db2.gz OBQHAFZZMZRBHR-MRUHUIDDSA-N 1 1 317.410 4.297 50 0 biogenic DIAAMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+]2C2CCCCC2)c(C)c1 ZINC000004012129 181062035 /nfs/dbraw/zinc/06/20/35/181062035.db2.gz AHWVRPGVKAZVCR-GOSISDBHSA-N 1 1 314.473 4.347 50 0 DIAAMO CCc1nc(C)cc(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)c1O ZINC000004007945 181062360 /nfs/dbraw/zinc/06/23/60/181062360.db2.gz GOLYVFKPIKGLTH-UHFFFAOYSA-N 1 1 314.473 4.059 50 0 DIAAMO c1cncc([C@H]2CCCC[N@@H+]2CCOc2ccc3c(c2)CCC3)c1 ZINC000006624607 181362318 /nfs/dbraw/zinc/36/23/18/181362318.db2.gz ZTWYFGQMBYHVSK-OAQYLSRUSA-N 1 1 322.452 4.176 50 0 biogenic DIAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000015440982 182002236 /nfs/dbraw/zinc/00/22/36/182002236.db2.gz ZMMDHGFOYNDDDR-HNNXBMFYSA-N 1 1 314.404 4.074 50 0 DIAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000015440982 182002237 /nfs/dbraw/zinc/00/22/37/182002237.db2.gz ZMMDHGFOYNDDDR-HNNXBMFYSA-N 1 1 314.404 4.074 50 0 DIAAMO Clc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000016046984 182030897 /nfs/dbraw/zinc/03/08/97/182030897.db2.gz ORDWTQMJVXHERZ-ZIAGYGMSSA-N 1 1 321.848 4.219 50 0 DIAAMO Cc1ccc(C(C)C)c(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247555 182038255 /nfs/dbraw/zinc/03/82/55/182038255.db2.gz VCQXBKQYABSASJ-HDICACEKSA-N 1 1 319.489 4.387 50 0 DIAAMO CC[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccccc1 ZINC000016483190 182046865 /nfs/dbraw/zinc/04/68/65/182046865.db2.gz PSFQSNWOMRWKRP-UHFFFAOYSA-N 1 1 318.420 4.300 50 0 DIAAMO CC[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccccc1 ZINC000016483190 182046866 /nfs/dbraw/zinc/04/68/66/182046866.db2.gz PSFQSNWOMRWKRP-UHFFFAOYSA-N 1 1 318.420 4.300 50 0 DIAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccoc3)C2)c1 ZINC000019837925 182155664 /nfs/dbraw/zinc/15/56/64/182155664.db2.gz YCKBYEMHYPKQBC-SFHVURJKSA-N 1 1 321.424 4.358 50 0 DIAAMO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019792507 182150395 /nfs/dbraw/zinc/15/03/95/182150395.db2.gz HRXCKJQKTGGVOT-MRXNPFEDSA-N 1 1 315.436 4.127 50 0 DIAAMO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000020204864 182197784 /nfs/dbraw/zinc/19/77/84/182197784.db2.gz BPJYMUCQDIIJDJ-AWEZNQCLSA-N 1 1 303.475 4.049 50 0 DIAAMO Cc1ccc(Cl)c(OCC[N@H+]2CCc3ccccc3C2)c1 ZINC000020322424 182206690 /nfs/dbraw/zinc/20/66/90/182206690.db2.gz CFVDXHSQQLTGMR-UHFFFAOYSA-N 1 1 301.817 4.086 50 0 DIAAMO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000024518931 182382697 /nfs/dbraw/zinc/38/26/97/182382697.db2.gz BFMGUSOGKFBVQE-HUUCEWRRSA-N 1 1 307.397 4.457 50 0 DIAAMO CC1CCC([N@@H+](C)CC(=O)Nc2cccc3ccccc32)CC1 ZINC000039978295 183026650 /nfs/dbraw/zinc/02/66/50/183026650.db2.gz MSBSSSGEUXEOJS-UHFFFAOYSA-N 1 1 310.441 4.289 50 0 DIAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000039395943 183018639 /nfs/dbraw/zinc/01/86/39/183018639.db2.gz ICKPJOFWQXLABK-QGZVFWFLSA-N 1 1 305.425 4.251 50 0 DIAAMO Fc1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769799 183021996 /nfs/dbraw/zinc/02/19/96/183021996.db2.gz DHMMQFBVMCMNCO-UXHICEINSA-N 1 1 316.464 4.055 50 0 DIAAMO COC(=O)c1oc(C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1C ZINC000040153677 183040757 /nfs/dbraw/zinc/04/07/57/183040757.db2.gz AONSGHUSWDDFPH-QGZVFWFLSA-N 1 1 313.397 4.020 50 0 DIAAMO c1cc([C@@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)cs1 ZINC000058162872 184083395 /nfs/dbraw/zinc/08/33/95/184083395.db2.gz JIUYFLNNCJJZHJ-SFHVURJKSA-N 1 1 309.438 4.271 50 0 DIAAMO c1cc([C@@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)cs1 ZINC000058162872 184083396 /nfs/dbraw/zinc/08/33/96/184083396.db2.gz JIUYFLNNCJJZHJ-SFHVURJKSA-N 1 1 309.438 4.271 50 0 DIAAMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000058418379 184115160 /nfs/dbraw/zinc/11/51/60/184115160.db2.gz HQDFYUAWQCEFAV-HXUWFJFHSA-N 1 1 320.436 4.071 50 0 DIAAMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000058418380 184115486 /nfs/dbraw/zinc/11/54/86/184115486.db2.gz HQDFYUAWQCEFAV-FQEVSTJZSA-N 1 1 320.436 4.071 50 0 DIAAMO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CC2CCCCC2)o1 ZINC000058430114 184116985 /nfs/dbraw/zinc/11/69/85/184116985.db2.gz WSDNHGMORNAWPA-GOSISDBHSA-N 1 1 311.429 4.058 50 0 DIAAMO COc1ccc([C@H](C)[N@@H+](C)CCO[C@H]2CCCC[C@@H]2C)cc1 ZINC000058932663 184132674 /nfs/dbraw/zinc/13/26/74/184132674.db2.gz QTNWFIKCEJOOLS-BXWFABGCSA-N 1 1 305.462 4.283 50 0 DIAAMO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC000064622474 184301567 /nfs/dbraw/zinc/30/15/67/184301567.db2.gz AMOLDIYKOWQSSK-KRWDZBQOSA-N 1 1 315.486 4.343 50 0 DIAAMO CC(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000064622474 184301570 /nfs/dbraw/zinc/30/15/70/184301570.db2.gz AMOLDIYKOWQSSK-KRWDZBQOSA-N 1 1 315.486 4.343 50 0 DIAAMO CC[N@H+]1CCC[C@H](c2nccn2-c2cccc(Cl)c2C)C1 ZINC000065421356 184342127 /nfs/dbraw/zinc/34/21/27/184342127.db2.gz HVSWLGGVRSZFTE-AWEZNQCLSA-N 1 1 303.837 4.033 50 0 DIAAMO Cc1ccccc1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000240163526 257259841 /nfs/dbraw/zinc/25/98/41/257259841.db2.gz JBNGYRVTKLXUGR-SFTDATJTSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccccc1C[N@@H+]1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000240163526 257259843 /nfs/dbraw/zinc/25/98/43/257259843.db2.gz JBNGYRVTKLXUGR-SFTDATJTSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1ccccc1C[N@H+]1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000240163526 257259844 /nfs/dbraw/zinc/25/98/44/257259844.db2.gz JBNGYRVTKLXUGR-SFTDATJTSA-N 1 1 312.501 4.224 50 0 DIAAMO CCOC1CC2(C1)CC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000512827536 340379617 /nfs/dbraw/zinc/37/96/17/340379617.db2.gz KHGRZJZIIMXRRT-UHFFFAOYSA-N 1 1 301.455 4.292 50 0 DIAAMO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000328596090 528878924 /nfs/dbraw/zinc/87/89/24/528878924.db2.gz RZPHCYZYYSXMID-HNNXBMFYSA-N 1 1 324.827 4.056 50 0 DIAAMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCCCCC1 ZINC000007378138 563905347 /nfs/dbraw/zinc/90/53/47/563905347.db2.gz PMFNDIBNANTDJI-NSHDSACASA-N 1 1 315.244 4.196 50 0 DIAAMO Cc1ccc(-c2noc([C@H](C)[N@H+](C)CCC(C)C)n2)cc1F ZINC000069350375 563952412 /nfs/dbraw/zinc/95/24/12/563952412.db2.gz 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ZINC000012909115 563853851 /nfs/dbraw/zinc/85/38/51/563853851.db2.gz VQEDJCKXEFXVTN-CYBMUJFWSA-N 1 1 313.351 4.001 50 0 DIAAMO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F ZINC000012909119 563853869 /nfs/dbraw/zinc/85/38/69/563853869.db2.gz VQEDJCKXEFXVTN-ZDUSSCGKSA-N 1 1 313.351 4.001 50 0 DIAAMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000241466151 563880849 /nfs/dbraw/zinc/88/08/49/563880849.db2.gz NVDSQEUHZKENKS-GJYPPUQNSA-N 1 1 308.425 4.015 50 0 DIAAMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000241466151 563880850 /nfs/dbraw/zinc/88/08/50/563880850.db2.gz NVDSQEUHZKENKS-GJYPPUQNSA-N 1 1 308.425 4.015 50 0 DIAAMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)Cc2ccccc2)s1 ZINC000036100954 563893395 /nfs/dbraw/zinc/89/33/95/563893395.db2.gz CKNNCDCCJVVNTP-GOSISDBHSA-N 1 1 317.498 4.118 50 0 DIAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1 ZINC000007003094 563901169 /nfs/dbraw/zinc/90/11/69/563901169.db2.gz YPCGXKOAYDSPAJ-INIZCTEOSA-N 1 1 323.440 4.116 50 0 DIAAMO Cc1ccc(CCC[N@H+]2CCCCC[C@H]2c2ccncc2)cn1 ZINC000170607012 563907701 /nfs/dbraw/zinc/90/77/01/563907701.db2.gz CWTIHQHMNMBFIY-FQEVSTJZSA-N 1 1 309.457 4.335 50 0 DIAAMO Clc1ccc2c(NCc3ccc4c(c3)OCO4)cc[nH+]c2c1 ZINC000007813832 563919985 /nfs/dbraw/zinc/91/99/85/563919985.db2.gz VCEZMHMECFTULX-UHFFFAOYSA-N 1 1 312.756 4.229 50 0 DIAAMO C(C1CCCCC1)N1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000022859695 563923630 /nfs/dbraw/zinc/92/36/30/563923630.db2.gz GBNBYPBMSVRMBX-VQTJNVASSA-N 1 1 304.522 4.296 50 0 DIAAMO Clc1ccc(S[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000253425583 563925127 /nfs/dbraw/zinc/92/51/27/563925127.db2.gz FJMUWRSZDWHNIJ-OAHLLOKOSA-N 1 1 304.846 4.102 50 0 DIAAMO CC(C)(C)[C@H]1CCC[N@H+](Cc2nccn2CC(F)(F)F)CC1 ZINC000078759396 563929813 /nfs/dbraw/zinc/92/98/13/563929813.db2.gz BIFSIJLYADAHJT-ZDUSSCGKSA-N 1 1 317.399 4.094 50 0 DIAAMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2nccn2CC(F)(F)F)CC1 ZINC000078759396 563929814 /nfs/dbraw/zinc/92/98/14/563929814.db2.gz BIFSIJLYADAHJT-ZDUSSCGKSA-N 1 1 317.399 4.094 50 0 DIAAMO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCCCO3)Cc3ccccc32)cc1 ZINC000095947995 563932254 /nfs/dbraw/zinc/93/22/54/563932254.db2.gz BIWSCYRZAJFDGR-FPOVZHCZSA-N 1 1 307.437 4.203 50 0 DIAAMO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968154 563933135 /nfs/dbraw/zinc/93/31/35/563933135.db2.gz XPUULFNWWCDUDS-WOPDTQHZSA-N 1 1 313.272 4.269 50 0 DIAAMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000095968154 563933136 /nfs/dbraw/zinc/93/31/36/563933136.db2.gz XPUULFNWWCDUDS-WOPDTQHZSA-N 1 1 313.272 4.269 50 0 DIAAMO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1F)c1cnccn1 ZINC000095968325 563933175 /nfs/dbraw/zinc/93/31/75/563933175.db2.gz AOWTZTFLDZAIAK-KXBFYZLASA-N 1 1 321.399 4.250 50 0 DIAAMO COC[C@H]([NH2+][C@@H]1C[C@H](C)Sc2ccccc21)c1ccco1 ZINC000095968848 563933253 /nfs/dbraw/zinc/93/32/53/563933253.db2.gz SYQUNUCFCQBUAN-CFVMTHIKSA-N 1 1 303.427 4.182 50 0 DIAAMO C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc2ccccc2c1 ZINC000008127433 563946853 /nfs/dbraw/zinc/94/68/53/563946853.db2.gz IBOMXWNHKPBOGQ-UHFFFAOYSA-N 1 1 322.383 4.049 50 0 DIAAMO C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc2ccccc2c1 ZINC000008127433 563946855 /nfs/dbraw/zinc/94/68/55/563946855.db2.gz IBOMXWNHKPBOGQ-UHFFFAOYSA-N 1 1 322.383 4.049 50 0 DIAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(OCCC)cc2c1=O ZINC000008717130 563950024 /nfs/dbraw/zinc/95/00/24/563950024.db2.gz CCWGOAGHZASTSQ-UHFFFAOYSA-N 1 1 316.445 4.270 50 0 DIAAMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(F)c2)c1OC ZINC000040157186 563951681 /nfs/dbraw/zinc/95/16/81/563951681.db2.gz IJUUGKHOMAWQJH-ZDUSSCGKSA-N 1 1 303.377 4.036 50 0 DIAAMO Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)o2)cc1 ZINC000069144576 563951812 /nfs/dbraw/zinc/95/18/12/563951812.db2.gz DDNJUPBENXIPFT-INIZCTEOSA-N 1 1 311.360 4.146 50 0 DIAAMO Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)o2)cc1 ZINC000069144576 563951815 /nfs/dbraw/zinc/95/18/15/563951815.db2.gz DDNJUPBENXIPFT-INIZCTEOSA-N 1 1 311.360 4.146 50 0 DIAAMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)s1 ZINC000170060217 1040112068 /nfs/dbraw/zinc/11/20/68/1040112068.db2.gz QKTCBUHODUGECC-KKSFZXQISA-N 1 1 319.495 4.131 50 0 DIAAMO CN1CCCCCC[N@@H+](CC2CCCCC2)[C@H]2CCC[C@H]2C1=O ZINC000257186179 1041554343 /nfs/dbraw/zinc/55/43/43/1041554343.db2.gz YOIUWCGUVVLBKL-MOPGFXCFSA-N 1 1 320.521 4.070 50 0 DIAAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000001229407 1042916271 /nfs/dbraw/zinc/91/62/71/1042916271.db2.gz JYTHHZBKYBVDOX-UHFFFAOYSA-N 1 1 308.469 4.173 50 0 DIAAMO Fc1ccc(OC2CC[NH+](Cc3ccc(Cl)o3)CC2)cc1 ZINC000215826274 1044539943 /nfs/dbraw/zinc/53/99/43/1044539943.db2.gz NVNLHXKBBWIYJR-UHFFFAOYSA-N 1 1 309.768 4.116 50 0 DIAAMO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000019952700 1045579921 /nfs/dbraw/zinc/57/99/21/1045579921.db2.gz JICTYILWHXDRCW-HNNXBMFYSA-N 1 1 315.848 4.320 50 0 DIAAMO CCC[N@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cccnc1 ZINC000055415099 1046431871 /nfs/dbraw/zinc/43/18/71/1046431871.db2.gz BKPHIHMOJBBTCS-GOSISDBHSA-N 1 1 314.429 4.328 50 0 DIAAMO CCC[N@@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cccnc1 ZINC000055415099 1046431876 /nfs/dbraw/zinc/43/18/76/1046431876.db2.gz BKPHIHMOJBBTCS-GOSISDBHSA-N 1 1 314.429 4.328 50 0 DIAAMO C(=C/[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000253425857 1047104186 /nfs/dbraw/zinc/10/41/86/1047104186.db2.gz SVWGOFXMTQVQNN-OFAQMXQXSA-N 1 1 321.380 4.007 50 0 DIAAMO C(=C/[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000253425857 1047104200 /nfs/dbraw/zinc/10/42/00/1047104200.db2.gz SVWGOFXMTQVQNN-OFAQMXQXSA-N 1 1 321.380 4.007 50 0 DIAAMO CC[C@H](c1cccnc1)[N@@H+](C)Cc1cc(C)ccc1-n1cccn1 ZINC000952978662 1051123195 /nfs/dbraw/zinc/12/31/95/1051123195.db2.gz YXVGYOMEPFBXKR-LJQANCHMSA-N 1 1 320.440 4.159 50 0 DIAAMO Cc1ccc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)ncc32)o1 ZINC000012387555 1057097646 /nfs/dbraw/zinc/09/76/46/1057097646.db2.gz MEVHUQCLKXRRSP-GOSISDBHSA-N 1 1 319.408 4.212 50 0 DIAAMO CC(C)Cc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)s1 ZINC000821459801 1057779118 /nfs/dbraw/zinc/77/91/18/1057779118.db2.gz GRPATXCKMFKRDD-UHFFFAOYSA-N 1 1 303.475 4.049 50 0 DIAAMO Cc1c[nH+]c(N[C@@H](C)c2ccccc2C(F)(F)F)nc1N(C)C ZINC001529174621 1058631591 /nfs/dbraw/zinc/63/15/91/1058631591.db2.gz WCPGSZBVMFUPTD-NSHDSACASA-N 1 1 324.350 4.043 50 0 DIAAMO CSc1cccc(CN(C)Cc2cc(C[NH+](C)C)cs2)c1 ZINC001506405707 1063508047 /nfs/dbraw/zinc/50/80/47/1063508047.db2.gz BNWJXGKQCIXVGY-UHFFFAOYSA-N 1 1 320.527 4.164 50 0 DIAAMO COc1cc2c(cc1OC)[C@H]1C[C@H](c3ccccc3)CC[N@H+]1CC2 ZINC000095561611 185379928 /nfs/dbraw/zinc/37/99/28/185379928.db2.gz SPYSWTOTYSJXHH-VQIMIIECSA-N 1 1 323.436 4.181 50 0 DIAAMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1ccccc1 ZINC000096954046 185393714 /nfs/dbraw/zinc/39/37/14/185393714.db2.gz QBGLFOAOTXJMSQ-KRWDZBQOSA-N 1 1 310.441 4.407 50 0 DIAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000082108832 192356959 /nfs/dbraw/zinc/35/69/59/192356959.db2.gz CCOFNABVGBPSNE-GFCCVEGCSA-N 1 1 324.255 4.107 50 0 DIAAMO Fc1ccc(CC[C@H]2CCC[N@@H+](CCc3ccccn3)C2)cc1 ZINC000072121784 191040609 /nfs/dbraw/zinc/04/06/09/191040609.db2.gz VJVKFAVFQLEPAZ-GOSISDBHSA-N 1 1 312.432 4.108 50 0 DIAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2c(C)noc2C)c1 ZINC000072133084 191044545 /nfs/dbraw/zinc/04/45/45/191044545.db2.gz YQYWMWAPOVWJLH-SFHVURJKSA-N 1 1 300.402 4.027 50 0 DIAAMO Cc1ccccc1CC[C@H]1CCC[N@@H+](Cc2cncn2C2CC2)C1 ZINC000072146377 191053197 /nfs/dbraw/zinc/05/31/97/191053197.db2.gz WEKDQPOPAQZWLO-GOSISDBHSA-N 1 1 323.484 4.371 50 0 DIAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cc(-c3ccccn3)no2)cc1 ZINC000072149257 191054647 /nfs/dbraw/zinc/05/46/47/191054647.db2.gz PJEKROCXZMQLTG-LJQANCHMSA-N 1 1 323.371 4.213 50 0 DIAAMO c1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3c3ccccn3)s2)n[nH]1 ZINC000072156869 191060579 /nfs/dbraw/zinc/06/05/79/191060579.db2.gz NNXFPSQWMYNLOI-QGZVFWFLSA-N 1 1 324.453 4.260 50 0 DIAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000072170446 191068489 /nfs/dbraw/zinc/06/84/89/191068489.db2.gz LZQJVRJEMZMFAA-LJQANCHMSA-N 1 1 309.388 4.348 50 0 DIAAMO O=C(CCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000072472950 191176157 /nfs/dbraw/zinc/17/61/57/191176157.db2.gz YXRRZVOYFBTKHT-QGZVFWFLSA-N 1 1 313.466 4.162 50 0 DIAAMO CCCCCO[P@@](C)(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004026828 181063326 /nfs/dbraw/zinc/06/33/26/181063326.db2.gz OBQHAFZZMZRBHR-GCKMJXCFSA-N 1 1 317.410 4.297 50 0 biogenic DIAAMO Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000004024717 181063779 /nfs/dbraw/zinc/06/37/79/181063779.db2.gz XKNGNLUBHDCEQV-ZWKOTPCHSA-N 1 1 315.457 4.033 50 0 biogenic DIAAMO COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1OC ZINC000004985615 181184956 /nfs/dbraw/zinc/18/49/56/181184956.db2.gz QDIQZVMFTAJSOO-UHFFFAOYSA-N 1 1 321.420 4.489 50 0 DIAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000005008147 181189858 /nfs/dbraw/zinc/18/98/58/181189858.db2.gz BIWOHGQOCMGKSL-FKBYEOEOSA-N 1 1 321.464 4.339 50 0 DIAAMO C[NH+](C)CCCNc1cc(-c2ccccc2)nc2ccccc21 ZINC000005668167 181269207 /nfs/dbraw/zinc/26/92/07/181269207.db2.gz IKQBMZYOJJWBSO-UHFFFAOYSA-N 1 1 305.425 4.265 50 0 DIAAMO Cc1cc(C)c(NC(=O)CC[N@H+](C)CC2CCC2)c(Cl)c1 ZINC000244852487 202503754 /nfs/dbraw/zinc/50/37/54/202503754.db2.gz UTIYBEUDKMTHOM-UHFFFAOYSA-N 1 1 308.853 4.017 50 0 DIAAMO CCC[C@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000016047136 182030845 /nfs/dbraw/zinc/03/08/45/182030845.db2.gz BQOPHBYHXKUSBK-PBHICJAKSA-N 1 1 321.424 4.115 50 0 DIAAMO CCC[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000016047135 182030957 /nfs/dbraw/zinc/03/09/57/182030957.db2.gz BQOPHBYHXKUSBK-RHSMWYFYSA-N 1 1 321.424 4.115 50 0 DIAAMO C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc2ccccc21 ZINC000016634147 182054581 /nfs/dbraw/zinc/05/45/81/182054581.db2.gz GZXXZDKCSLGLBC-UHFFFAOYSA-N 1 1 322.383 4.049 50 0 DIAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3C)c(C)o2)c(F)c1 ZINC000019111063 182104620 /nfs/dbraw/zinc/10/46/20/182104620.db2.gz LVHPSMPBWGAMAQ-LBPRGKRZSA-N 1 1 318.392 4.172 50 0 DIAAMO CC(C)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019359520 182118582 /nfs/dbraw/zinc/11/85/82/182118582.db2.gz FUEQIGHEMLEGLS-UHFFFAOYSA-N 1 1 308.469 4.128 50 0 DIAAMO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019792508 182149717 /nfs/dbraw/zinc/14/97/17/182149717.db2.gz HRXCKJQKTGGVOT-INIZCTEOSA-N 1 1 315.436 4.127 50 0 DIAAMO COc1ccccc1CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000019794734 182150164 /nfs/dbraw/zinc/15/01/64/182150164.db2.gz ISMMMBLDPWNTBM-UHFFFAOYSA-N 1 1 311.381 4.126 50 0 DIAAMO CC(C)CC[C@H](CCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020573568 182234312 /nfs/dbraw/zinc/23/43/12/182234312.db2.gz CKZXYKDYTTZJGL-GOSISDBHSA-N 1 1 322.924 4.497 50 0 DIAAMO Fc1cc(F)cc(CC[N@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000020598094 182236283 /nfs/dbraw/zinc/23/62/83/182236283.db2.gz GFGOBANQJINKTG-GOSISDBHSA-N 1 1 302.368 4.130 50 0 DIAAMO Fc1ccccc1Cn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000021171089 182268144 /nfs/dbraw/zinc/26/81/44/182268144.db2.gz SUYDRVAEOYAXPQ-UHFFFAOYSA-N 1 1 323.415 4.210 50 0 DIAAMO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000021720741 182285911 /nfs/dbraw/zinc/28/59/11/182285911.db2.gz JNMCAQRGVLVZFL-OAHLLOKOSA-N 1 1 306.356 4.161 50 0 DIAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000021720741 182285913 /nfs/dbraw/zinc/28/59/13/182285913.db2.gz JNMCAQRGVLVZFL-OAHLLOKOSA-N 1 1 306.356 4.161 50 0 DIAAMO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1c(C)noc1CC ZINC000021720902 182285986 /nfs/dbraw/zinc/28/59/86/182285986.db2.gz MWELTVPWGHPLRR-INIZCTEOSA-N 1 1 314.429 4.281 50 0 DIAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021720498 182286379 /nfs/dbraw/zinc/28/63/79/182286379.db2.gz GYNOSSRIRDSULN-KRWDZBQOSA-N 1 1 300.402 4.027 50 0 DIAAMO C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000022240946 182315274 /nfs/dbraw/zinc/31/52/74/182315274.db2.gz SBDDVTFBHZDRAG-UHFFFAOYSA-N 1 1 317.392 4.226 50 0 DIAAMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 ZINC000022197568 182312827 /nfs/dbraw/zinc/31/28/27/182312827.db2.gz VECCWQNTKAJQAK-UHFFFAOYSA-N 1 1 312.816 4.072 50 0 DIAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+](C)[C@H]1CCOC1 ZINC000023153395 182352340 /nfs/dbraw/zinc/35/23/40/182352340.db2.gz JRDYITCUTFHJPX-SFHVURJKSA-N 1 1 322.408 4.024 50 0 DIAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+](C)[C@H]1CCOC1 ZINC000023153395 182352342 /nfs/dbraw/zinc/35/23/42/182352342.db2.gz JRDYITCUTFHJPX-SFHVURJKSA-N 1 1 322.408 4.024 50 0 DIAAMO CCC[N@H+](Cc1coc2ccc(Cl)cc2c1=O)CC1CC1 ZINC000023281600 182355671 /nfs/dbraw/zinc/35/56/71/182355671.db2.gz STWHYLRGCBFYTJ-UHFFFAOYSA-N 1 1 305.805 4.068 50 0 DIAAMO c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4ccccc4)C3)n2)cc1 ZINC000023340556 182357507 /nfs/dbraw/zinc/35/75/07/182357507.db2.gz SUNCVSDWOKKGEM-SFHVURJKSA-N 1 1 319.408 4.116 50 0 DIAAMO c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000023340553 182357744 /nfs/dbraw/zinc/35/77/44/182357744.db2.gz SUNCVSDWOKKGEM-GOSISDBHSA-N 1 1 319.408 4.116 50 0 DIAAMO CC(C)(C)Nc1nn(C[NH+]2CCCCCCC2)c(=S)s1 ZINC000024527776 182382866 /nfs/dbraw/zinc/38/28/66/182382866.db2.gz IYBQQDNTVLTCDB-UHFFFAOYSA-N 1 1 314.524 4.108 50 0 DIAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018618 182688607 /nfs/dbraw/zinc/68/86/07/182688607.db2.gz RAVINFUCCKVWDG-UHFFFAOYSA-N 1 1 307.393 4.124 50 0 DIAAMO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c1OC ZINC000040007513 183027782 /nfs/dbraw/zinc/02/77/82/183027782.db2.gz RORIPQZPHLKCDV-ZDUSSCGKSA-N 1 1 303.377 4.036 50 0 DIAAMO Cc1ccsc1CN1CC[N@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039408732 183018934 /nfs/dbraw/zinc/01/89/34/183018934.db2.gz LNYKFDYVUPKCTB-MJGOQNOKSA-N 1 1 318.530 4.285 50 0 DIAAMO Cc1ccsc1C[N@@H+]1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039408732 183018936 /nfs/dbraw/zinc/01/89/36/183018936.db2.gz LNYKFDYVUPKCTB-MJGOQNOKSA-N 1 1 318.530 4.285 50 0 DIAAMO Cc1ccsc1C[N@H+]1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039408732 183018938 /nfs/dbraw/zinc/01/89/38/183018938.db2.gz LNYKFDYVUPKCTB-MJGOQNOKSA-N 1 1 318.530 4.285 50 0 DIAAMO c1ccc([C@@H]2C[N@H+](Cc3cccnc3)Cc3ccccc32)cc1 ZINC000043670548 183378366 /nfs/dbraw/zinc/37/83/66/183378366.db2.gz YXEFCMBKCLLCHG-NRFANRHFSA-N 1 1 300.405 4.229 50 0 DIAAMO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1nc2ccccc2n1C ZINC000055309650 183978845 /nfs/dbraw/zinc/97/88/45/183978845.db2.gz XRIUGZCOJNNHGP-HNNXBMFYSA-N 1 1 311.429 4.213 50 0 DIAAMO CC(C)[C@H](C)[N@@H+](Cc1ccco1)Cc1nc2ccccc2n1C ZINC000055309650 183978846 /nfs/dbraw/zinc/97/88/46/183978846.db2.gz XRIUGZCOJNNHGP-HNNXBMFYSA-N 1 1 311.429 4.213 50 0 DIAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(F)c2)cc1)C(C)C ZINC000058244675 184093916 /nfs/dbraw/zinc/09/39/16/184093916.db2.gz PEEUFWFFGLRUNH-UHFFFAOYSA-N 1 1 314.404 4.308 50 0 DIAAMO O=C(C[NH2+]Cc1ccccc1Cl)Nc1cccc2ccccc21 ZINC000058123233 184077390 /nfs/dbraw/zinc/07/73/90/184077390.db2.gz XNUVQXHHQQHEIY-UHFFFAOYSA-N 1 1 324.811 4.222 50 0 DIAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C)C3CC3)c2cc1C(C)C ZINC000058394077 184112617 /nfs/dbraw/zinc/11/26/17/184112617.db2.gz TZWLATPMIYYXJE-AWEZNQCLSA-N 1 1 313.441 4.455 50 0 DIAAMO Cc1ncc(C[N@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)s1 ZINC000064007211 184291660 /nfs/dbraw/zinc/29/16/60/184291660.db2.gz NPERFXIWQQZBNW-KRWDZBQOSA-N 1 1 315.486 4.145 50 0 DIAAMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065394943 184334383 /nfs/dbraw/zinc/33/43/83/184334383.db2.gz IVZZYSVXVCHVEZ-INIZCTEOSA-N 1 1 303.409 4.337 50 0 DIAAMO CC(=O)c1ccc(C[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000065500620 184355481 /nfs/dbraw/zinc/35/54/81/184355481.db2.gz XEVFOUMLNRKOCT-UHFFFAOYSA-N 1 1 304.393 4.069 50 0 DIAAMO CC[C@@H]1C[C@H](C[N@H+]2CCCCC[C@H]2c2ccncc2)CCO1 ZINC000252511455 257258296 /nfs/dbraw/zinc/25/82/96/257258296.db2.gz GYZBBVXEBJAFNE-QRQLOZEOSA-N 1 1 302.462 4.204 50 0 DIAAMO CCc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000016431354 257268604 /nfs/dbraw/zinc/26/86/04/257268604.db2.gz SMWWJQKTEDFHLR-CQSZACIVSA-N 1 1 314.404 4.020 50 0 DIAAMO CCc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000016431354 257268606 /nfs/dbraw/zinc/26/86/06/257268606.db2.gz SMWWJQKTEDFHLR-CQSZACIVSA-N 1 1 314.404 4.020 50 0 DIAAMO Cc1noc(C)c1C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000080916372 341276650 /nfs/dbraw/zinc/27/66/50/341276650.db2.gz HIZGPQBKJRLGNX-UHFFFAOYSA-N 1 1 321.424 4.370 50 0 DIAAMO CC(C)c1nnc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)o1 ZINC000328596176 528443979 /nfs/dbraw/zinc/44/39/79/528443979.db2.gz VXWIDJKZOYBBJF-MRXNPFEDSA-N 1 1 313.445 4.386 50 0 DIAAMO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@@H+]1CCCC[C@H]1C ZINC000008700896 563949823 /nfs/dbraw/zinc/94/98/23/563949823.db2.gz YQPXDZMMGCBFOW-LLVKDONJSA-N 1 1 304.821 4.277 50 0 DIAAMO CC(C)n1c[nH+]c2cc(NCc3nc4ccccc4n3C)ccc21 ZINC000002363507 563303064 /nfs/dbraw/zinc/30/30/64/563303064.db2.gz DOSQEJNUTUMEIL-UHFFFAOYSA-N 1 1 319.412 4.116 50 0 DIAAMO O=C(c1ccc(C[NH+]2CCC2)cc1)c1cccc(Cl)c1Cl ZINC000002514638 563305399 /nfs/dbraw/zinc/30/53/99/563305399.db2.gz YXGFMMZYUPWTRA-UHFFFAOYSA-N 1 1 320.219 4.430 50 0 DIAAMO O=C(c1cc(F)cc(Cl)c1)c1ccccc1C[NH+]1CC=CC1 ZINC000002515908 563305933 /nfs/dbraw/zinc/30/59/33/563305933.db2.gz QGJRABGLXQLQFE-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO CSc1ccccc1C(=O)c1ccccc1C[NH+]1CC=CC1 ZINC000002515884 563305953 /nfs/dbraw/zinc/30/59/53/563305953.db2.gz DMSFZLYMDBRDCO-UHFFFAOYSA-N 1 1 309.434 4.011 50 0 DIAAMO CCCCC[N@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002190282 563329738 /nfs/dbraw/zinc/32/97/38/563329738.db2.gz LLLKFHBUBLEWAT-KRWDZBQOSA-N 1 1 302.462 4.205 50 0 DIAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2ccc(CC)cc2c1=O ZINC000008714141 563349434 /nfs/dbraw/zinc/34/94/34/563349434.db2.gz JDFYOMFSESQBII-UHFFFAOYSA-N 1 1 300.446 4.433 50 0 DIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000011951824 563361153 /nfs/dbraw/zinc/36/11/53/563361153.db2.gz JBPDRVHTSPXTOM-GOSISDBHSA-N 1 1 319.448 4.243 50 0 DIAAMO Fc1cccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1F ZINC000012304459 563366080 /nfs/dbraw/zinc/36/60/80/563366080.db2.gz SSGBKOJNBCAZLE-INIZCTEOSA-N 1 1 302.368 4.041 50 0 DIAAMO c1ccc(N[C@@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000012430362 563369280 /nfs/dbraw/zinc/36/92/80/563369280.db2.gz PVRFFJIMHKPIPA-SGRZJPDBSA-N 1 1 310.485 4.388 50 0 DIAAMO c1ccc(N[C@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000012430363 563369302 /nfs/dbraw/zinc/36/93/02/563369302.db2.gz PVRFFJIMHKPIPA-PIIHOCENSA-N 1 1 310.485 4.388 50 0 DIAAMO CCc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3C)c2cc1Cl ZINC000032652308 563375563 /nfs/dbraw/zinc/37/55/63/563375563.db2.gz OBMVSYKIKVNXGQ-LBPRGKRZSA-N 1 1 319.832 4.383 50 0 DIAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000013323075 563380714 /nfs/dbraw/zinc/38/07/14/563380714.db2.gz KXXBWCXCWAFASF-UHFFFAOYSA-N 1 1 302.462 4.014 50 0 DIAAMO COCC[N@@H+](Cc1nc(-c2ccc(Cl)cc2)oc1C)C(C)C ZINC000014975400 563404206 /nfs/dbraw/zinc/40/42/06/563404206.db2.gz CLWVTYRRQMJGFA-UHFFFAOYSA-N 1 1 322.836 4.160 50 0 DIAAMO CC(C)(C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000014991683 563404303 /nfs/dbraw/zinc/40/43/03/563404303.db2.gz DDLVEEQRESXMPF-HNNXBMFYSA-N 1 1 315.436 4.441 50 0 DIAAMO O=C(Nc1ccc(Cl)cc1)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000015240426 563408228 /nfs/dbraw/zinc/40/82/28/563408228.db2.gz GRDMMPXVOYPCJQ-CJNGLKHVSA-N 1 1 322.836 4.153 50 0 biogenic DIAAMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000015310111 563409182 /nfs/dbraw/zinc/40/91/82/563409182.db2.gz UVLHJJBBKHXQLK-LJQANCHMSA-N 1 1 323.436 4.493 50 0 DIAAMO CC(C)[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000052537267 563468738 /nfs/dbraw/zinc/46/87/38/563468738.db2.gz LBBWWBVVWSGTKL-NRFANRHFSA-N 1 1 308.469 4.029 50 0 DIAAMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000052537267 563468747 /nfs/dbraw/zinc/46/87/47/563468747.db2.gz LBBWWBVVWSGTKL-NRFANRHFSA-N 1 1 308.469 4.029 50 0 DIAAMO FC(F)(F)CCC[N@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC000055183146 563472075 /nfs/dbraw/zinc/47/20/75/563472075.db2.gz VLKUXFMSEDWAHJ-CYBMUJFWSA-N 1 1 307.381 4.072 50 0 DIAAMO Cc1ccsc1C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055310057 563473434 /nfs/dbraw/zinc/47/34/34/563473434.db2.gz UISHKAUNSYKSSQ-UHFFFAOYSA-N 1 1 315.417 4.218 50 0 DIAAMO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1nc2ccccc2n1C ZINC000055309648 563473462 /nfs/dbraw/zinc/47/34/62/563473462.db2.gz XRIUGZCOJNNHGP-OAHLLOKOSA-N 1 1 311.429 4.213 50 0 DIAAMO CC(C)[C@@H](C)[N@@H+](Cc1ccco1)Cc1nc2ccccc2n1C ZINC000055309648 563473464 /nfs/dbraw/zinc/47/34/64/563473464.db2.gz XRIUGZCOJNNHGP-OAHLLOKOSA-N 1 1 311.429 4.213 50 0 DIAAMO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000055292293 563473548 /nfs/dbraw/zinc/47/35/48/563473548.db2.gz CLUALNYYEWXCEV-UHFFFAOYSA-N 1 1 314.860 4.279 50 0 DIAAMO C/C(=C\c1ccco1)C[N@@H+](CCN(C)C)Cc1sccc1C ZINC000055281751 563473688 /nfs/dbraw/zinc/47/36/88/563473688.db2.gz MCJRLQPZCOYTKJ-NTCAYCPXSA-N 1 1 318.486 4.117 50 0 DIAAMO C/C(=C\c1ccco1)C[N@H+](CCN(C)C)Cc1sccc1C ZINC000055281751 563473690 /nfs/dbraw/zinc/47/36/90/563473690.db2.gz MCJRLQPZCOYTKJ-NTCAYCPXSA-N 1 1 318.486 4.117 50 0 DIAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cnc3ccccc3c2)c1 ZINC000055309253 563473859 /nfs/dbraw/zinc/47/38/59/563473859.db2.gz ZCENNSUXWOCTPC-MRXNPFEDSA-N 1 1 305.425 4.001 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccnc1 ZINC000055340828 563474697 /nfs/dbraw/zinc/47/46/97/563474697.db2.gz UGZBFCJOIAHPLS-KRWDZBQOSA-N 1 1 320.440 4.068 50 0 DIAAMO Cc1cccc(-c2ncc(C[N@@H+](C)[C@@H](C)c3cccnc3)cn2)c1 ZINC000055568950 563476358 /nfs/dbraw/zinc/47/63/58/563476358.db2.gz OBFUMLZCOXKRPQ-INIZCTEOSA-N 1 1 318.424 4.040 50 0 DIAAMO Cc1cccc(-c2ncc(C[N@H+](C)[C@@H](C)c3cccnc3)cn2)c1 ZINC000055568950 563476359 /nfs/dbraw/zinc/47/63/59/563476359.db2.gz OBFUMLZCOXKRPQ-INIZCTEOSA-N 1 1 318.424 4.040 50 0 DIAAMO C[C@H]([NH2+][C@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 ZINC000096478832 563484357 /nfs/dbraw/zinc/48/43/57/563484357.db2.gz RAEJFVAKNNPRJS-BTDLBPIBSA-N 1 1 306.331 4.301 50 0 DIAAMO C[C@@H]([NH2+][C@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 ZINC000096478834 563484515 /nfs/dbraw/zinc/48/45/15/563484515.db2.gz RAEJFVAKNNPRJS-QGHHPUGFSA-N 1 1 306.331 4.301 50 0 DIAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cccc3cnccc32)c1 ZINC000063847516 563485386 /nfs/dbraw/zinc/48/53/86/563485386.db2.gz JDSPTVDKYIOZAP-MRXNPFEDSA-N 1 1 305.425 4.001 50 0 DIAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)on1 ZINC000064666976 563485829 /nfs/dbraw/zinc/48/58/29/563485829.db2.gz RJPMGXXWGBWGNG-SFHVURJKSA-N 1 1 314.429 4.361 50 0 DIAAMO Cc1ccccc1OC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000067655009 563488481 /nfs/dbraw/zinc/48/84/81/563488481.db2.gz AFVICMCKOOMKEF-CQSZACIVSA-N 1 1 301.352 4.038 50 0 DIAAMO Cc1ccc(F)cc1Cn1cc[nH+]c1[C@H]1CCOC(C)(C)C1 ZINC000071479655 563499502 /nfs/dbraw/zinc/49/95/02/563499502.db2.gz VZZCIKSMUVAMSE-AWEZNQCLSA-N 1 1 302.393 4.052 50 0 DIAAMO Fc1cccc(F)c1CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000071575532 563499634 /nfs/dbraw/zinc/49/96/34/563499634.db2.gz WNALQPOYRBXIJJ-HNNXBMFYSA-N 1 1 316.395 4.205 50 0 DIAAMO CC(C)C[C@@H](O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000077340264 563509372 /nfs/dbraw/zinc/50/93/72/563509372.db2.gz LAXSFRQVBBRGDX-QGZVFWFLSA-N 1 1 313.844 4.098 50 0 DIAAMO Cc1ccsc1C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000077340860 563509500 /nfs/dbraw/zinc/50/95/00/563509500.db2.gz ICLIZBCHRBQNJT-AWEZNQCLSA-N 1 1 311.454 4.312 50 0 DIAAMO COCCC[C@H]1CCC[N@@H+](Cc2c(C)ccc3ncccc32)C1 ZINC000077379936 563509855 /nfs/dbraw/zinc/50/98/55/563509855.db2.gz ZDWPTPOWAKFKBV-QGZVFWFLSA-N 1 1 312.457 4.182 50 0 DIAAMO CC(C)n1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000095361205 563529856 /nfs/dbraw/zinc/52/98/56/563529856.db2.gz NFBILJSQIMDUSO-OAHLLOKOSA-N 1 1 319.399 4.122 50 0 DIAAMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000247991658 563536365 /nfs/dbraw/zinc/53/63/65/563536365.db2.gz NBYKEYBTYQIATB-PBHICJAKSA-N 1 1 314.454 4.221 50 0 DIAAMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000247991658 563536368 /nfs/dbraw/zinc/53/63/68/563536368.db2.gz NBYKEYBTYQIATB-PBHICJAKSA-N 1 1 314.454 4.221 50 0 DIAAMO CC(C)c1nc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)co1 ZINC000097288794 563538723 /nfs/dbraw/zinc/53/87/23/563538723.db2.gz YNWMFEMHNHUEIO-ZDUSSCGKSA-N 1 1 304.821 4.441 50 0 DIAAMO CC(C)c1nc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)co1 ZINC000097288794 563538726 /nfs/dbraw/zinc/53/87/26/563538726.db2.gz YNWMFEMHNHUEIO-ZDUSSCGKSA-N 1 1 304.821 4.441 50 0 DIAAMO O[C@@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000247796058 563539206 /nfs/dbraw/zinc/53/92/06/563539206.db2.gz RNYDSULXEGZJTK-IRXDYDNUSA-N 1 1 324.449 4.167 50 0 DIAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)on1 ZINC000097631910 563541346 /nfs/dbraw/zinc/54/13/46/563541346.db2.gz FINGYHBEKCRCFT-MRXNPFEDSA-N 1 1 312.413 4.034 50 0 DIAAMO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccn2)ccc1F ZINC000102806033 563560237 /nfs/dbraw/zinc/56/02/37/563560237.db2.gz UTAYGULOSGZVPU-GGPHIMKMSA-N 1 1 310.416 4.440 50 0 DIAAMO CCC[N@H+]1CCC[C@]2(C)[C@H](OC(=O)c3ccccc3)CCC[C@H]12 ZINC000248026331 563599486 /nfs/dbraw/zinc/59/94/86/563599486.db2.gz MIJNOPJLAXKPEM-NSHGMRRFSA-N 1 1 315.457 4.277 50 0 biogenic DIAAMO FC(F)(F)c1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000000237184 563628292 /nfs/dbraw/zinc/62/82/92/563628292.db2.gz WZOKPLZWQAWTGI-UHFFFAOYSA-N 1 1 320.358 4.028 50 0 DIAAMO Cc1occc1C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000583652315 563651540 /nfs/dbraw/zinc/65/15/40/563651540.db2.gz RHMIFNPJJCBGCQ-JTQLQIEISA-N 1 1 305.328 4.184 50 0 DIAAMO CC[NH+](CC)c1ccc(Nc2c(F)c(F)nc(F)c2F)cc1 ZINC000000551572 563670015 /nfs/dbraw/zinc/67/00/15/563670015.db2.gz ZGZSIZQFKGBEDB-UHFFFAOYSA-N 1 1 313.298 4.228 50 0 DIAAMO C[C@@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnccn1 ZINC000108462246 563688871 /nfs/dbraw/zinc/68/88/71/563688871.db2.gz LQQHFJQVEHGSOT-JKSUJKDBSA-N 1 1 310.445 4.024 50 0 DIAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2csc(C(C)=O)c2)c1 ZINC000215424679 563705701 /nfs/dbraw/zinc/70/57/01/563705701.db2.gz XMNHSHDHAYZHJK-KRWDZBQOSA-N 1 1 315.438 4.296 50 0 DIAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2csc(C(C)=O)c2)c1 ZINC000215424679 563705704 /nfs/dbraw/zinc/70/57/04/563705704.db2.gz XMNHSHDHAYZHJK-KRWDZBQOSA-N 1 1 315.438 4.296 50 0 DIAAMO C[C@@H](c1ccc(C[N@@H+](Cc2cccc(O)c2)C2CC2)cc1)[NH+](C)C ZINC000215361671 563705791 /nfs/dbraw/zinc/70/57/91/563705791.db2.gz JDKPIQYEAFZGAH-INIZCTEOSA-N 1 1 324.468 4.179 50 0 DIAAMO Cc1c2cc(F)ccc2oc1[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000241447029 563777487 /nfs/dbraw/zinc/77/74/87/563777487.db2.gz NQPBLLCMERHWRJ-STQMWFEESA-N 1 1 313.376 4.391 50 0 DIAAMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000241515599 563777498 /nfs/dbraw/zinc/77/74/98/563777498.db2.gz OGKSXUYCCKUANP-HFSMHLIXSA-N 1 1 309.453 4.297 50 0 DIAAMO Fc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000241946719 563777840 /nfs/dbraw/zinc/77/78/40/563777840.db2.gz UNKNHESEVWMSHB-AWEZNQCLSA-N 1 1 304.796 4.254 50 0 DIAAMO Cc1cnccc1C[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000252479308 563783767 /nfs/dbraw/zinc/78/37/67/563783767.db2.gz BCUDEFRCHRMFKG-AEVNEEFTSA-N 1 1 322.452 4.084 50 0 DIAAMO C[N@@H+](Cc1ccccc1NCCCCCO)C1CCCCC1 ZINC000075094589 563859403 /nfs/dbraw/zinc/85/94/03/563859403.db2.gz XOWNQVYCKLWNGW-UHFFFAOYSA-N 1 1 304.478 4.026 50 0 DIAAMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000241466150 563880832 /nfs/dbraw/zinc/88/08/32/563880832.db2.gz NVDSQEUHZKENKS-BXWFABGCSA-N 1 1 308.425 4.015 50 0 DIAAMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000241466150 563880833 /nfs/dbraw/zinc/88/08/33/563880833.db2.gz NVDSQEUHZKENKS-BXWFABGCSA-N 1 1 308.425 4.015 50 0 DIAAMO O[C@@H](C[N@H+]1CCC[C@H]1c1cccs1)c1ccccc1Cl ZINC000242346928 563881017 /nfs/dbraw/zinc/88/10/17/563881017.db2.gz ZKGAVHXHAOLNLC-GJZGRUSLSA-N 1 1 307.846 4.272 50 0 DIAAMO CC(C)C[N@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000036095365 563892744 /nfs/dbraw/zinc/89/27/44/563892744.db2.gz YDLLTKVQXMZOKE-IBGZPJMESA-N 1 1 301.405 4.017 50 0 DIAAMO CCC[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)Cc1ccccc1 ZINC000036097433 563892830 /nfs/dbraw/zinc/89/28/30/563892830.db2.gz PXKFWSJEHYMLMF-NRFANRHFSA-N 1 1 311.469 4.119 50 0 DIAAMO Clc1ccc(C[N@H+](Cc2cnoc2C2CC2)C2CC2)cc1 ZINC000089787573 563911293 /nfs/dbraw/zinc/91/12/93/563911293.db2.gz KOWCVWGWPKOUOX-UHFFFAOYSA-N 1 1 302.805 4.370 50 0 DIAAMO Clc1ccc(C[N@@H+](Cc2cnoc2C2CC2)C2CC2)cc1 ZINC000089787573 563911294 /nfs/dbraw/zinc/91/12/94/563911294.db2.gz KOWCVWGWPKOUOX-UHFFFAOYSA-N 1 1 302.805 4.370 50 0 DIAAMO Clc1cnccc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964621 563911453 /nfs/dbraw/zinc/91/14/53/563911453.db2.gz ZAKYCCAESPTJEA-AWEZNQCLSA-N 1 1 318.873 4.349 50 0 DIAAMO CCCCc1noc(C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)n1 ZINC000252516093 563916727 /nfs/dbraw/zinc/91/67/27/563916727.db2.gz QBDSAVMMAINTCS-HZPDHXFCSA-N 1 1 313.445 4.099 50 0 DIAAMO Fc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1ccncc1 ZINC000037522623 563918196 /nfs/dbraw/zinc/91/81/96/563918196.db2.gz HNAGMIDHKXGBID-FQEVSTJZSA-N 1 1 321.399 4.018 50 0 DIAAMO Fc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1ccncc1 ZINC000037522623 563918197 /nfs/dbraw/zinc/91/81/97/563918197.db2.gz HNAGMIDHKXGBID-FQEVSTJZSA-N 1 1 321.399 4.018 50 0 DIAAMO COc1ccccc1[C@H]1c2cccn2CCC[N@H+]1CCC(C)C ZINC000037522253 563918394 /nfs/dbraw/zinc/91/83/94/563918394.db2.gz PNVSPQWVYKECBD-FQEVSTJZSA-N 1 1 312.457 4.338 50 0 DIAAMO COc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1CCC(C)C ZINC000037522253 563918395 /nfs/dbraw/zinc/91/83/95/563918395.db2.gz PNVSPQWVYKECBD-FQEVSTJZSA-N 1 1 312.457 4.338 50 0 DIAAMO C[C@H]1CCCC[N@H+]1Cc1cncc(-c2cc(F)cc(F)c2)c1 ZINC000037554051 563918734 /nfs/dbraw/zinc/91/87/34/563918734.db2.gz PBZMFLASBQHION-ZDUSSCGKSA-N 1 1 302.368 4.401 50 0 DIAAMO C[C@@]12C[NH2+]C[C@@](C)(C[N@H+](C(c3ccccc3)c3ccccc3)C1)C2 ZINC000002273643 563921192 /nfs/dbraw/zinc/92/11/92/563921192.db2.gz SJMBNLLHJPEHNV-SZPZYZBQSA-N 1 1 320.480 4.098 50 0 DIAAMO C[C@@]12C[NH2+]C[C@@](C)(CN(C(c3ccccc3)c3ccccc3)C1)C2 ZINC000002273643 563921194 /nfs/dbraw/zinc/92/11/94/563921194.db2.gz SJMBNLLHJPEHNV-SZPZYZBQSA-N 1 1 320.480 4.098 50 0 DIAAMO CC1(C)CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000253369788 563925021 /nfs/dbraw/zinc/92/50/21/563925021.db2.gz ICKZXLKBWNWZMI-YSTOQKLRSA-N 1 1 312.501 4.350 50 0 DIAAMO Fc1cccc(C[C@H]([NH2+]Cc2ccno2)c2cccc(F)c2)c1 ZINC000253417883 563925229 /nfs/dbraw/zinc/92/52/29/563925229.db2.gz IHLNPHLHIKWCIF-SFHVURJKSA-N 1 1 314.335 4.026 50 0 DIAAMO C[C@H]([NH2+]Cc1ccccc1Sc1ccccc1)c1cnccn1 ZINC000095967816 563933090 /nfs/dbraw/zinc/93/30/90/563933090.db2.gz CERGTOGEVREICM-HNNXBMFYSA-N 1 1 321.449 4.479 50 0 DIAAMO CCc1noc(CC)c1C[NH2+][C@H](C)c1c(C)nn(C(C)C)c1C ZINC000095969160 563933491 /nfs/dbraw/zinc/93/34/91/563933491.db2.gz SBCFPMDTBLBFME-GFCCVEGCSA-N 1 1 318.465 4.044 50 0 DIAAMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000095984198 563934018 /nfs/dbraw/zinc/93/40/18/563934018.db2.gz DUMCLJLYMZJEKF-AWEZNQCLSA-N 1 1 308.429 4.001 50 0 DIAAMO C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000095995444 563934376 /nfs/dbraw/zinc/93/43/76/563934376.db2.gz PHMREHRVUUJDDC-UGKGYDQZSA-N 1 1 322.496 4.119 50 0 DIAAMO CN(C)[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000670457150 563945227 /nfs/dbraw/zinc/94/52/27/563945227.db2.gz KHPMSODNPCJZBJ-OAHLLOKOSA-N 1 1 310.466 4.190 50 0 DIAAMO C[NH+](C)[C@@H]1CCN(Cc2cccc3c4ccccc4sc32)C1 ZINC000670457150 563945228 /nfs/dbraw/zinc/94/52/28/563945228.db2.gz KHPMSODNPCJZBJ-OAHLLOKOSA-N 1 1 310.466 4.190 50 0 DIAAMO C[N@H+](Cc1nnc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 ZINC000032512298 563945783 /nfs/dbraw/zinc/94/57/83/563945783.db2.gz WTIUZIKYZLCUBC-GOSISDBHSA-N 1 1 319.408 4.246 50 0 DIAAMO C[N@@H+](Cc1nnc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 ZINC000032512298 563945784 /nfs/dbraw/zinc/94/57/84/563945784.db2.gz WTIUZIKYZLCUBC-GOSISDBHSA-N 1 1 319.408 4.246 50 0 DIAAMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000008127345 563946870 /nfs/dbraw/zinc/94/68/70/563946870.db2.gz OTHYOZXUTIIKNY-UHFFFAOYSA-N 1 1 318.420 4.219 50 0 DIAAMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000008127345 563946871 /nfs/dbraw/zinc/94/68/71/563946871.db2.gz OTHYOZXUTIIKNY-UHFFFAOYSA-N 1 1 318.420 4.219 50 0 DIAAMO CC[N@@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008717595 563950295 /nfs/dbraw/zinc/95/02/95/563950295.db2.gz NRTIQVHBXRVRNJ-UHFFFAOYSA-N 1 1 306.409 4.271 50 0 DIAAMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1C ZINC000010310903 563958534 /nfs/dbraw/zinc/95/85/34/563958534.db2.gz XAXYKJGTFLHZQL-LJQANCHMSA-N 1 1 308.425 4.079 50 0 DIAAMO Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000010311084 563958705 /nfs/dbraw/zinc/95/87/05/563958705.db2.gz OZWLWPGLKFTNBE-IBGZPJMESA-N 1 1 308.425 4.079 50 0 DIAAMO O=C(CC[N@@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1 ZINC000053140498 568417777 /nfs/dbraw/zinc/41/77/77/568417777.db2.gz DELOMMFFYOLVLE-UHFFFAOYSA-N 1 1 312.413 4.053 50 0 DIAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(-c2ccccc2)cc1 ZINC000002493906 1037574105 /nfs/dbraw/zinc/57/41/05/1037574105.db2.gz OJGGEZPZQWRURW-UHFFFAOYSA-N 1 1 302.421 4.423 50 0 DIAAMO Cc1ncc(C[N@@H+](C)CC2=Cc3cc(Cl)ccc3OC2)s1 ZINC000179381179 1040448017 /nfs/dbraw/zinc/44/80/17/1040448017.db2.gz RAAUEJQAHOIHSD-UHFFFAOYSA-N 1 1 320.845 4.013 50 0 DIAAMO Cc1ncc(C[N@H+](C)CC2=Cc3cc(Cl)ccc3OC2)s1 ZINC000179381179 1040448029 /nfs/dbraw/zinc/44/80/29/1040448029.db2.gz RAAUEJQAHOIHSD-UHFFFAOYSA-N 1 1 320.845 4.013 50 0 DIAAMO Cc1ncsc1C[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000179426245 1040456877 /nfs/dbraw/zinc/45/68/77/1040456877.db2.gz ICRZTAJDSSGDBG-UHFFFAOYSA-N 1 1 316.470 4.405 50 0 DIAAMO Cc1ncsc1C[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000179426245 1040456886 /nfs/dbraw/zinc/45/68/86/1040456886.db2.gz ICRZTAJDSSGDBG-UHFFFAOYSA-N 1 1 316.470 4.405 50 0 DIAAMO OC[C@H]1CCC[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000023281025 1040548516 /nfs/dbraw/zinc/54/85/16/1040548516.db2.gz KVCMAIMTIPTBRW-MRXNPFEDSA-N 1 1 317.816 4.089 50 0 DIAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)c2)cc1 ZINC000108386986 1041914894 /nfs/dbraw/zinc/91/48/94/1041914894.db2.gz RYPDREVQBFRYQL-LAUBAEHRSA-N 1 1 309.453 4.255 50 0 DIAAMO CSc1ccc(C[NH2+]Cc2sccc2Br)o1 ZINC000585118093 1042233101 /nfs/dbraw/zinc/23/31/01/1042233101.db2.gz BFCKVMZFQZFGAO-UHFFFAOYSA-N 1 1 318.261 4.115 50 0 DIAAMO Cc1cc(Nc2cccc(F)c2)nc(NCc2ccccc2)[nH+]1 ZINC000000073468 1042271096 /nfs/dbraw/zinc/27/10/96/1042271096.db2.gz CTOCGJNJJGMVFB-UHFFFAOYSA-N 1 1 308.360 4.280 50 0 DIAAMO CC[C@H]1C[N@H+](Cc2ccc(O)cc2)Cc2ccc(Cl)cc2O1 ZINC000299785030 1043638226 /nfs/dbraw/zinc/63/82/26/1043638226.db2.gz LSULNUWIYTVQET-KRWDZBQOSA-N 1 1 317.816 4.219 50 0 DIAAMO CC[C@H]1C[N@@H+](Cc2ccc(O)cc2)Cc2ccc(Cl)cc2O1 ZINC000299785030 1043638236 /nfs/dbraw/zinc/63/82/36/1043638236.db2.gz LSULNUWIYTVQET-KRWDZBQOSA-N 1 1 317.816 4.219 50 0 DIAAMO Cc1ccsc1-c1nc(C[N@H+]2C[C@H]3C[C@@H]2CCC3)c(C)o1 ZINC000020202413 1045579162 /nfs/dbraw/zinc/57/91/62/1045579162.db2.gz RNTWDVDCFGRYNW-KGLIPLIRSA-N 1 1 302.443 4.394 50 0 DIAAMO Cc1ccsc1C[N@@H+]1CCC[C@@H](n2c(C)cnc2C2CC2)C1 ZINC000575547011 1045669171 /nfs/dbraw/zinc/66/91/71/1045669171.db2.gz VTWOEGGFIPHORZ-MRXNPFEDSA-N 1 1 315.486 4.276 50 0 DIAAMO Fc1cccnc1Oc1cc(F)c(C[NH+]2CCCC2)c(Cl)c1 ZINC000067869069 1045707290 /nfs/dbraw/zinc/70/72/90/1045707290.db2.gz OQLKOYXLMDTURL-UHFFFAOYSA-N 1 1 324.758 4.401 50 0 DIAAMO CCC(C)(C)C(=O)N1CCC[C@@H]1CCc1[nH+]cc(C)n1C(C)C ZINC000253404032 1047101722 /nfs/dbraw/zinc/10/17/22/1047101722.db2.gz HPQFWRXCRWOSFC-MRXNPFEDSA-N 1 1 319.493 4.132 50 0 DIAAMO C(=C/[C@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000253425859 1047104246 /nfs/dbraw/zinc/10/42/46/1047104246.db2.gz SVWGOFXMTQVQNN-SIFUEBAJSA-N 1 1 321.380 4.007 50 0 DIAAMO C(=C/[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000253425859 1047104251 /nfs/dbraw/zinc/10/42/51/1047104251.db2.gz SVWGOFXMTQVQNN-SIFUEBAJSA-N 1 1 321.380 4.007 50 0 DIAAMO COc1ccc(O)cc1C[N@H+]1CCC[C@H](c2cccc(C)c2)C1 ZINC000952964348 1051123119 /nfs/dbraw/zinc/12/31/19/1051123119.db2.gz NPUVPOJPEZNIHO-KRWDZBQOSA-N 1 1 311.425 4.089 50 0 DIAAMO COc1cc(C)c(C[NH2+]Cc2csc(C)n2)cc1C(C)C ZINC000952979005 1051123146 /nfs/dbraw/zinc/12/31/46/1051123146.db2.gz GKRJAJAQMDJESJ-UHFFFAOYSA-N 1 1 304.459 4.182 50 0 DIAAMO COc1cc(F)ccc1C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000952979096 1051123175 /nfs/dbraw/zinc/12/31/75/1051123175.db2.gz TUBNKLZMKUIVNG-UHFFFAOYSA-N 1 1 310.372 4.015 50 0 DIAAMO Cc1cnc(C[C@H]2CC[N@@H+](CC3CCCCC3)C2)n1C(C)C ZINC000581805993 1051319193 /nfs/dbraw/zinc/31/91/93/1051319193.db2.gz JNYGPSSLKQPAGR-GOSISDBHSA-N 1 1 303.494 4.217 50 0 DIAAMO Cc1ccc(N[C@H]2CCC[N@H+](C3CCSCC3)C2)cc1C ZINC000011816603 1056710446 /nfs/dbraw/zinc/71/04/46/1056710446.db2.gz UFTULKWOZAZTKB-KRWDZBQOSA-N 1 1 304.503 4.075 50 0 DIAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000011844528 1056754135 /nfs/dbraw/zinc/75/41/35/1056754135.db2.gz ATXYIAVMZOPOIP-NTCAYCPXSA-N 1 1 320.392 4.396 50 0 DIAAMO C/C(=C\c1ccco1)C[N@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000011844528 1056754147 /nfs/dbraw/zinc/75/41/47/1056754147.db2.gz ATXYIAVMZOPOIP-NTCAYCPXSA-N 1 1 320.392 4.396 50 0 DIAAMO Cc1cccc(C[N@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)n1 ZINC000012305353 1057019152 /nfs/dbraw/zinc/01/91/52/1057019152.db2.gz PJKOXLXTLPTDBD-HXUWFJFHSA-N 1 1 309.457 4.083 50 0 DIAAMO c1cc(C[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)co1 ZINC000014885114 1057025070 /nfs/dbraw/zinc/02/50/70/1057025070.db2.gz JQEWCUKOQCEXTQ-FQEVSTJZSA-N 1 1 305.377 4.416 50 0 DIAAMO c1cc(C[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)co1 ZINC000014885114 1057025076 /nfs/dbraw/zinc/02/50/76/1057025076.db2.gz JQEWCUKOQCEXTQ-FQEVSTJZSA-N 1 1 305.377 4.416 50 0 DIAAMO Cc1ccc(C[N@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)c2ccccc12 ZINC001529119394 1058615615 /nfs/dbraw/zinc/61/56/15/1058615615.db2.gz WCQMYVPSHJUDJJ-QGFMHUBQSA-N 1 1 309.453 4.130 50 0 DIAAMO CSc1ccc2c(C)cc(NCc3n[nH]c4c3CCC4)nc2c1 ZINC001529161834 1058627525 /nfs/dbraw/zinc/62/75/25/1058627525.db2.gz RPEKFJSTSZLUTQ-UHFFFAOYSA-N 1 1 324.453 4.089 50 0 DIAAMO Cc1ncsc1C[N@H+](C)C[C@@]1(c2ccccc2)CC1(C)C ZINC001529162073 1058629474 /nfs/dbraw/zinc/62/94/74/1058629474.db2.gz 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CCc1[nH]c(CN(Cc2ccsc2)Cc2ccco2)c(C)[nH+]1 ZINC000055403056 183985408 /nfs/dbraw/zinc/98/54/08/183985408.db2.gz PRDBALDWOBLKEA-UHFFFAOYSA-N 1 1 315.442 4.137 50 0 DIAAMO COc1ccc([C@H](C)[N@@H+](C)CCO[C@@H]2CCCC[C@H]2C)cc1 ZINC000058932666 184132212 /nfs/dbraw/zinc/13/22/12/184132212.db2.gz QTNWFIKCEJOOLS-JTDSTZFVSA-N 1 1 305.462 4.283 50 0 DIAAMO COc1ccc([C@H](C)[N@@H+](C)CCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000058932670 184132346 /nfs/dbraw/zinc/13/23/46/184132346.db2.gz QTNWFIKCEJOOLS-TXPKVOOTSA-N 1 1 305.462 4.283 50 0 DIAAMO CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000060105681 184144484 /nfs/dbraw/zinc/14/44/84/184144484.db2.gz OSTAULSTMSIVAC-HNNXBMFYSA-N 1 1 300.402 4.115 50 0 DIAAMO c1coc(-c2nnc(C[N@@H+]3CCC[C@@H]3CC3CCCCC3)o2)c1 ZINC000061040298 184160039 /nfs/dbraw/zinc/16/00/39/184160039.db2.gz YXMSFIJJACEPFE-OAHLLOKOSA-N 1 1 315.417 4.264 50 0 DIAAMO Oc1cccc(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)c1 ZINC000065393832 184334838 /nfs/dbraw/zinc/33/48/38/184334838.db2.gz 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257237545 /nfs/dbraw/zinc/23/75/45/257237545.db2.gz GIJVQTIUHWMHLZ-VXGBXAGGSA-N 1 1 301.459 4.137 50 0 DIAAMO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000274159180 257237971 /nfs/dbraw/zinc/23/79/71/257237971.db2.gz GIJVQTIUHWMHLZ-RYUDHWBXSA-N 1 1 301.459 4.137 50 0 DIAAMO Cc1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000244647025 257259449 /nfs/dbraw/zinc/25/94/49/257259449.db2.gz GTOXLWVKYOYTEF-NHCUHLMSSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1cccc(C[N@@H+]2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000244647025 257259450 /nfs/dbraw/zinc/25/94/50/257259450.db2.gz GTOXLWVKYOYTEF-NHCUHLMSSA-N 1 1 312.501 4.224 50 0 DIAAMO Cc1cccc(C[N@H+]2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000244647025 257259452 /nfs/dbraw/zinc/25/94/52/257259452.db2.gz GTOXLWVKYOYTEF-NHCUHLMSSA-N 1 1 312.501 4.224 50 0 DIAAMO C[C@@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000508699459 340250984 /nfs/dbraw/zinc/25/09/84/340250984.db2.gz RESUTTWFXRXMTK-LQWHRVPQSA-N 1 1 308.469 4.248 50 0 DIAAMO Cc1ncsc1CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000074331611 341144039 /nfs/dbraw/zinc/14/40/39/341144039.db2.gz XKSACSQDNDDJNS-UHFFFAOYSA-N 1 1 314.376 4.145 50 0 DIAAMO Clc1cccc(Cl)c1-c1noc(C[NH+]2CCCCC2)n1 ZINC000000115077 563219176 /nfs/dbraw/zinc/21/91/76/563219176.db2.gz NPLVBOXATNWWCU-UHFFFAOYSA-N 1 1 312.200 4.029 50 0 DIAAMO C[C@@H]1CCC[N@H+](C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000000207759 563230094 /nfs/dbraw/zinc/23/00/94/563230094.db2.gz MGTHDFJCMPGPPB-OAHLLOKOSA-N 1 1 306.881 4.036 50 0 DIAAMO CCC[N@@H+](CCc1cccs1)[C@@H]1CCc2c(O)cccc2C1 ZINC000000005151 563211137 /nfs/dbraw/zinc/21/11/37/563211137.db2.gz KFQYTPMOWPVWEJ-MRXNPFEDSA-N 1 1 315.482 4.266 50 0 fda DIAAMO C[C@H]1CCC[N@H+](C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000000207757 563230443 /nfs/dbraw/zinc/23/04/43/563230443.db2.gz MGTHDFJCMPGPPB-HNNXBMFYSA-N 1 1 306.881 4.036 50 0 DIAAMO Cc1c(Cl)cccc1NC(=O)CC[N@H+](C)Cc1ccccc1 ZINC000000454911 563257419 /nfs/dbraw/zinc/25/74/19/563257419.db2.gz HYBINFIQNVMLGO-UHFFFAOYSA-N 1 1 316.832 4.109 50 0 DIAAMO O=C(c1ccc(C[NH+]2CCC2)cc1)c1cc(Cl)ccc1Cl ZINC000002514640 563305037 /nfs/dbraw/zinc/30/50/37/563305037.db2.gz XPGXKYLUTZQLMZ-UHFFFAOYSA-N 1 1 320.219 4.430 50 0 DIAAMO O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1C[NH+]1CCC1 ZINC000002515628 563305903 /nfs/dbraw/zinc/30/59/03/563305903.db2.gz YXFYMUNGFMLZDA-UHFFFAOYSA-N 1 1 319.326 4.142 50 0 DIAAMO O=C(c1ccc(F)cc1Cl)c1ccccc1C[NH+]1CC=CC1 ZINC000002515907 563306139 /nfs/dbraw/zinc/30/61/39/563306139.db2.gz SYAKMFBMKXXCOD-UHFFFAOYSA-N 1 1 315.775 4.082 50 0 DIAAMO O=C(c1cccc(C[NH+]2CCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515143 563306260 /nfs/dbraw/zinc/30/62/60/563306260.db2.gz AEMXOHJRWZGZQP-UHFFFAOYSA-N 1 1 320.219 4.430 50 0 DIAAMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000002694431 563338592 /nfs/dbraw/zinc/33/85/92/563338592.db2.gz FCQJRYIQFHLBRG-AEFFLSMTSA-N 1 1 319.489 4.204 50 0 DIAAMO Cc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1C ZINC000011874769 563359676 /nfs/dbraw/zinc/35/96/76/563359676.db2.gz KLDIAIYZWSEGTK-QFIPXVFZSA-N 1 1 323.480 4.121 50 0 DIAAMO Cc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1C ZINC000011874770 563359709 /nfs/dbraw/zinc/35/97/09/563359709.db2.gz KLDIAIYZWSEGTK-JOCHJYFZSA-N 1 1 323.480 4.121 50 0 DIAAMO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C(C1CC1)C1CC1 ZINC000012056883 563361192 /nfs/dbraw/zinc/36/11/92/563361192.db2.gz AAOTXCBCHZWPRJ-UHFFFAOYSA-N 1 1 317.820 4.010 50 0 DIAAMO CC(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012151098 563363234 /nfs/dbraw/zinc/36/32/34/563363234.db2.gz WHUGFVVYKCADRX-OAHLLOKOSA-N 1 1 301.409 4.051 50 0 DIAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000012387081 563368507 /nfs/dbraw/zinc/36/85/07/563368507.db2.gz DXZUGEBKHROFSJ-AWEZNQCLSA-N 1 1 323.889 4.130 50 0 DIAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)cc1C ZINC000012439791 563370151 /nfs/dbraw/zinc/37/01/51/563370151.db2.gz QMRPJUIDZIQDDB-INIZCTEOSA-N 1 1 315.457 4.149 50 0 DIAAMO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3sccc3C)C2)o1 ZINC000012592713 563371420 /nfs/dbraw/zinc/37/14/20/563371420.db2.gz YWVYTEFXPUIBGI-AWEZNQCLSA-N 1 1 317.454 4.307 50 0 DIAAMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)c3sccc3C)C2)o1 ZINC000012592713 563371423 /nfs/dbraw/zinc/37/14/23/563371423.db2.gz YWVYTEFXPUIBGI-AWEZNQCLSA-N 1 1 317.454 4.307 50 0 DIAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000012584916 563371432 /nfs/dbraw/zinc/37/14/32/563371432.db2.gz YBMLEWBAYFLSFO-CQSZACIVSA-N 1 1 319.836 4.078 50 0 DIAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000012584916 563371434 /nfs/dbraw/zinc/37/14/34/563371434.db2.gz YBMLEWBAYFLSFO-CQSZACIVSA-N 1 1 319.836 4.078 50 0 DIAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC000012593655 563371670 /nfs/dbraw/zinc/37/16/70/563371670.db2.gz GXRVLDPMNOIEEA-HNNXBMFYSA-N 1 1 303.471 4.269 50 0 DIAAMO Cc1cc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1C(C)C ZINC000013154954 563379278 /nfs/dbraw/zinc/37/92/78/563379278.db2.gz AKQJFRFSGLFOOG-KSZLIROESA-N 1 1 319.489 4.121 50 0 DIAAMO CC[C@H]1C[N@@H+](C)CC[C@@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000013635458 563384207 /nfs/dbraw/zinc/38/42/07/563384207.db2.gz OJLWUEFIEDXWFB-RXVVDRJESA-N 1 1 323.436 4.101 50 0 DIAAMO Fc1cccc(CC[C@@H]2CCC[N@@H+](Cc3nccs3)C2)c1 ZINC000014974416 563404755 /nfs/dbraw/zinc/40/47/55/563404755.db2.gz NRQZBVRXGJOXMT-HNNXBMFYSA-N 1 1 304.434 4.127 50 0 DIAAMO CC(C)(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000015069761 563406589 /nfs/dbraw/zinc/40/65/89/563406589.db2.gz OFFUGHOQBXGIFF-OAHLLOKOSA-N 1 1 315.436 4.441 50 0 DIAAMO CC(C)(C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000015069763 563406911 /nfs/dbraw/zinc/40/69/11/563406911.db2.gz OFFUGHOQBXGIFF-HNNXBMFYSA-N 1 1 315.436 4.441 50 0 DIAAMO CC(=O)Nc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000000213453 563446833 /nfs/dbraw/zinc/44/68/33/563446833.db2.gz IJOFELMQRBCESJ-UHFFFAOYSA-N 1 1 324.399 4.073 50 0 DIAAMO COc1ccc(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)cc1O ZINC000055271672 563473986 /nfs/dbraw/zinc/47/39/86/563473986.db2.gz ZZJIPCHINJULGE-CQSZACIVSA-N 1 1 303.402 4.041 50 0 DIAAMO CCC[N@@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1cccnc1 ZINC000055415054 563475436 /nfs/dbraw/zinc/47/54/36/563475436.db2.gz KOOVXJSMDOBDBP-QGZVFWFLSA-N 1 1 316.470 4.407 50 0 DIAAMO Cc1ccccc1Oc1ncccc1C[NH2+]Cc1cccc(O)c1 ZINC000055414867 563475713 /nfs/dbraw/zinc/47/57/13/563475713.db2.gz LSFUQMQXFICXJT-UHFFFAOYSA-N 1 1 320.392 4.178 50 0 DIAAMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1ccc(O)c(Cl)c1 ZINC000063847250 563485132 /nfs/dbraw/zinc/48/51/32/563485132.db2.gz UOSJZNFBGHLOJI-ZDUSSCGKSA-N 1 1 304.821 4.241 50 0 DIAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2cccc3cnccc32)c1 ZINC000063847518 563485351 /nfs/dbraw/zinc/48/53/51/563485351.db2.gz JDSPTVDKYIOZAP-INIZCTEOSA-N 1 1 305.425 4.001 50 0 DIAAMO c1coc([C@@H]2CCCCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353864 563509142 /nfs/dbraw/zinc/50/91/42/563509142.db2.gz TWYBHMJJVNAKJQ-INIZCTEOSA-N 1 1 323.396 4.447 50 0 DIAAMO c1coc([C@@H]2CCCCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353864 563509145 /nfs/dbraw/zinc/50/91/45/563509145.db2.gz TWYBHMJJVNAKJQ-INIZCTEOSA-N 1 1 323.396 4.447 50 0 DIAAMO Clc1ccc2nc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000077436268 563510167 /nfs/dbraw/zinc/51/01/67/563510167.db2.gz AEWIMEHWVBNPKY-SNVBAGLBSA-N 1 1 318.833 4.057 50 0 DIAAMO CC(C)[N@@H+](C)Cc1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000585140542 563519282 /nfs/dbraw/zinc/51/92/82/563519282.db2.gz GSAKDRHOEXXUIA-UHFFFAOYSA-N 1 1 312.413 4.250 50 0 DIAAMO Cc1[nH+]ccn1CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000107690 563526855 /nfs/dbraw/zinc/52/68/55/563526855.db2.gz VYUGDSUSXQZYBT-UHFFFAOYSA-N 1 1 321.405 4.021 50 0 DIAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)N[C@H](C)C2=CCCCC2)cc1 ZINC000096162010 563534576 /nfs/dbraw/zinc/53/45/76/563534576.db2.gz MTKJZVQTVIUYSO-CQSZACIVSA-N 1 1 324.428 4.191 50 0 DIAAMO Clc1ccc2[nH+]c(-c3cccnc3)c(NC3CCCC3)n2c1 ZINC000000417120 563611286 /nfs/dbraw/zinc/61/12/86/563611286.db2.gz HRCHPMLQSINLRP-UHFFFAOYSA-N 1 1 312.804 4.404 50 0 DIAAMO COc1ccc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000154838973 563626288 /nfs/dbraw/zinc/62/62/88/563626288.db2.gz COQKWXZJJDTJOA-CQSZACIVSA-N 1 1 308.381 4.201 50 0 DIAAMO COc1ccc([C@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000154838870 563626318 /nfs/dbraw/zinc/62/63/18/563626318.db2.gz COQKWXZJJDTJOA-AWEZNQCLSA-N 1 1 308.381 4.201 50 0 DIAAMO Cc1ccc(C[N@H+](Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000045783731 563690227 /nfs/dbraw/zinc/69/02/27/563690227.db2.gz UYZCLKIGVIPUIY-UHFFFAOYSA-N 1 1 319.408 4.210 50 0 DIAAMO Cc1ccc(C[N@@H+](Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000045783731 563690230 /nfs/dbraw/zinc/69/02/30/563690230.db2.gz UYZCLKIGVIPUIY-UHFFFAOYSA-N 1 1 319.408 4.210 50 0 DIAAMO Cc1cc(C)cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000045958323 563690935 /nfs/dbraw/zinc/69/09/35/563690935.db2.gz MQOXZVNMMDVLES-KRWDZBQOSA-N 1 1 317.477 4.080 50 0 DIAAMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(F)c1 ZINC000048368795 563698281 /nfs/dbraw/zinc/69/82/81/563698281.db2.gz FPDDPTLDINSGBI-YWZLYKJASA-N 1 1 313.416 4.160 50 0 DIAAMO C[C@H](c1ccc(C[N@@H+](Cc2cccc(O)c2)C2CC2)cc1)[NH+](C)C ZINC000215361712 563705866 /nfs/dbraw/zinc/70/58/66/563705866.db2.gz JDKPIQYEAFZGAH-MRXNPFEDSA-N 1 1 324.468 4.179 50 0 DIAAMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1csc(C(C)=O)c1 ZINC000216002511 563707639 /nfs/dbraw/zinc/70/76/39/563707639.db2.gz WHVACOVNKWXKQP-MRXNPFEDSA-N 1 1 315.438 4.296 50 0 DIAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1csc(C(C)=O)c1 ZINC000216002511 563707640 /nfs/dbraw/zinc/70/76/40/563707640.db2.gz WHVACOVNKWXKQP-MRXNPFEDSA-N 1 1 315.438 4.296 50 0 DIAAMO Cc1noc([C@H](C)[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000052464955 563788195 /nfs/dbraw/zinc/78/81/95/563788195.db2.gz WEYZOMRZFXCACO-ZDUSSCGKSA-N 1 1 324.428 4.108 50 0 DIAAMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCc3ccccc3C2)c1C ZINC000025408442 563788283 /nfs/dbraw/zinc/78/82/83/563788283.db2.gz TZDFISLRKAXHIP-UHFFFAOYSA-N 1 1 307.437 4.373 50 0 DIAAMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(OCC(C)C)cc2)cs1 ZINC000084272047 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/nfs/dbraw/zinc/12/98/47/181129847.db2.gz RHELSOOBFHKAIG-UHFFFAOYSA-N 1 1 322.496 4.283 50 0 DIAAMO C[N@H+](Cc1ccccc1)C1CCN(CCCc2ccccc2)CC1 ZINC000004703469 181139831 /nfs/dbraw/zinc/13/98/31/181139831.db2.gz QKHJITUCMYFHBJ-UHFFFAOYSA-N 1 1 322.496 4.216 50 0 DIAAMO C[N@@H+](Cc1ccccc1)C1CCN(CCCc2ccccc2)CC1 ZINC000004703469 181139833 /nfs/dbraw/zinc/13/98/33/181139833.db2.gz QKHJITUCMYFHBJ-UHFFFAOYSA-N 1 1 322.496 4.216 50 0 DIAAMO CN(Cc1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000004703469 181139834 /nfs/dbraw/zinc/13/98/34/181139834.db2.gz QKHJITUCMYFHBJ-UHFFFAOYSA-N 1 1 322.496 4.216 50 0 DIAAMO CC(=O)c1ccc(OCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004842311 181161204 /nfs/dbraw/zinc/16/12/04/181161204.db2.gz WQQPEWWJJVZSMD-IYBDPMFKSA-N 1 1 303.446 4.026 50 0 DIAAMO COc1cc(C)c(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1C ZINC000004982448 181183891 /nfs/dbraw/zinc/18/38/91/181183891.db2.gz OLHBVBGDBJXXQT-IBGZPJMESA-N 1 1 310.441 4.434 50 0 DIAAMO Cc1cc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1C(C)C ZINC000005006169 181189112 /nfs/dbraw/zinc/18/91/12/181189112.db2.gz AKQJFRFSGLFOOG-FGTMMUONSA-N 1 1 319.489 4.121 50 0 DIAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCc2cccc(Cl)c2)o1 ZINC000005047339 181195894 /nfs/dbraw/zinc/19/58/94/181195894.db2.gz ALDQXBYSACIHTH-SKDRFNHKSA-N 1 1 311.838 4.061 50 0 DIAAMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@H](CCCOC)C1 ZINC000077490124 191724337 /nfs/dbraw/zinc/72/43/37/191724337.db2.gz PSVKDNQTKYXDDZ-QGZVFWFLSA-N 1 1 314.473 4.300 50 0 DIAAMO CC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000005591652 181261275 /nfs/dbraw/zinc/26/12/75/181261275.db2.gz YEQVMPWSQNBHQN-UHFFFAOYSA-N 1 1 316.832 4.191 50 0 DIAAMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)o1 ZINC000089652446 192834779 /nfs/dbraw/zinc/83/47/79/192834779.db2.gz IKYHMYLBWYQEOA-AWEZNQCLSA-N 1 1 312.413 4.177 50 0 DIAAMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000006788374 181388818 /nfs/dbraw/zinc/38/88/18/181388818.db2.gz RFZWWDVCAWAFEE-GFCCVEGCSA-N 1 1 313.788 4.241 50 0 DIAAMO c1nc(N2CCCC2)sc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000216538734 201495731 /nfs/dbraw/zinc/49/57/31/201495731.db2.gz STSSOJCIOLVWBJ-MRXNPFEDSA-N 1 1 319.518 4.146 50 0 DIAAMO CC[C@H](C)[C@@H]([NH3+])c1nnc(SCc2cccc(Cl)c2)o1 ZINC000009764267 181639987 /nfs/dbraw/zinc/63/99/87/181639987.db2.gz ALDQXBYSACIHTH-JOYOIKCWSA-N 1 1 311.838 4.061 50 0 DIAAMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836755 182020362 /nfs/dbraw/zinc/02/03/62/182020362.db2.gz SXDUSQIYCNJIHD-INIZCTEOSA-N 1 1 317.816 4.391 50 0 DIAAMO CC[C@@H](C)[C@@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000016033431 182030640 /nfs/dbraw/zinc/03/06/40/182030640.db2.gz HPBMJTIXAXDVLJ-BXKDBHETSA-N 1 1 311.838 4.061 50 0 DIAAMO CC[C@H](C)c1ccccc1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247669 182038687 /nfs/dbraw/zinc/03/86/87/182038687.db2.gz LIMGGLWMINDYAX-YESZJQIVSA-N 1 1 305.462 4.078 50 0 DIAAMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCCc2ccccc21 ZINC000016342916 182042090 /nfs/dbraw/zinc/04/20/90/182042090.db2.gz SDAWHOPSMHPCTF-OAQYLSRUSA-N 1 1 317.436 4.382 50 0 DIAAMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCCc2ccccc21 ZINC000016342918 182042209 /nfs/dbraw/zinc/04/22/09/182042209.db2.gz SDAWHOPSMHPCTF-NRFANRHFSA-N 1 1 317.436 4.382 50 0 DIAAMO c1ccc(C2CCC(N3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000019831720 182155139 /nfs/dbraw/zinc/15/51/39/182155139.db2.gz XGHVBDJQANKKRB-UHFFFAOYSA-N 1 1 312.501 4.273 50 0 DIAAMO CC[C@H](C)[NH+]1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000019900132 182161851 /nfs/dbraw/zinc/16/18/51/182161851.db2.gz KWDAXLMBWKAZOQ-KKXNLOMOSA-N 1 1 300.490 4.129 50 0 DIAAMO C(=C/c1ccccc1)\CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020058858 182184351 /nfs/dbraw/zinc/18/43/51/182184351.db2.gz LPEUKGZZZUTWAH-FNCQTZNRSA-N 1 1 318.464 4.031 50 0 DIAAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000021720739 182286057 /nfs/dbraw/zinc/28/60/57/182286057.db2.gz JNMCAQRGVLVZFL-HNNXBMFYSA-N 1 1 306.356 4.161 50 0 DIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000021720739 182286061 /nfs/dbraw/zinc/28/60/61/182286061.db2.gz JNMCAQRGVLVZFL-HNNXBMFYSA-N 1 1 306.356 4.161 50 0 DIAAMO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1c(C)noc1C ZINC000021720434 182286112 /nfs/dbraw/zinc/28/61/12/182286112.db2.gz JBIFOASYEGAOIG-INIZCTEOSA-N 1 1 300.402 4.027 50 0 DIAAMO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021720364 182286344 /nfs/dbraw/zinc/28/63/44/182286344.db2.gz SVZIYCQCLSUAOI-GOSISDBHSA-N 1 1 300.402 4.109 50 0 DIAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021720364 182286346 /nfs/dbraw/zinc/28/63/46/182286346.db2.gz SVZIYCQCLSUAOI-GOSISDBHSA-N 1 1 300.402 4.109 50 0 DIAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000021720348 182286542 /nfs/dbraw/zinc/28/65/42/182286542.db2.gz NZXFHTZCCGFOCV-GOSISDBHSA-N 1 1 300.402 4.107 50 0 DIAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)no1 ZINC000021720348 182286544 /nfs/dbraw/zinc/28/65/44/182286544.db2.gz NZXFHTZCCGFOCV-GOSISDBHSA-N 1 1 300.402 4.107 50 0 DIAAMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000022197666 182312849 /nfs/dbraw/zinc/31/28/49/182312849.db2.gz SRYWGXGRTKKXAI-QGZVFWFLSA-N 1 1 322.452 4.414 50 0 DIAAMO CC[C@H](C)C[N@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000039399681 183018301 /nfs/dbraw/zinc/01/83/01/183018301.db2.gz GFIHLSCKPHFVKK-MAUKXSAKSA-N 1 1 305.462 4.007 50 0 DIAAMO CCC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000040119973 183038122 /nfs/dbraw/zinc/03/81/22/183038122.db2.gz KTQVVNNLBGXOGK-UHFFFAOYSA-N 1 1 305.853 4.043 50 0 DIAAMO C[C@@H](C[N@H+]1CCC[C@H](c2ccccc2)C1)n1cnc2ccccc21 ZINC000042437792 183270355 /nfs/dbraw/zinc/27/03/55/183270355.db2.gz QFKDUXSSMSKSKN-HKUYNNGSSA-N 1 1 319.452 4.477 50 0 DIAAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)C1 ZINC000105581188 194112871 /nfs/dbraw/zinc/11/28/71/194112871.db2.gz HXDXSJLQUOXYKA-DLBZAZTESA-N 1 1 312.457 4.213 50 0 DIAAMO c1csc(CC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000058159790 184082364 /nfs/dbraw/zinc/08/23/64/184082364.db2.gz HMLRPJFTJCLUAV-CQSZACIVSA-N 1 1 312.438 4.311 50 0 DIAAMO CC(C)c1[nH+]ccn1[C@H](C)c1nc(C2CC2)nn1-c1ccccc1 ZINC000065408613 184339311 /nfs/dbraw/zinc/33/93/11/184339311.db2.gz NWQWXLYSFDAYMV-CQSZACIVSA-N 1 1 321.428 4.074 50 0 DIAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065409953 184340239 /nfs/dbraw/zinc/34/02/39/184340239.db2.gz PYYXVYPNICFOBE-MRXNPFEDSA-N 1 1 303.409 4.337 50 0 DIAAMO C/C=C(\C)c1c(-c2ccccc2)ncn1Cc1c[nH+]cn1CC ZINC000065425524 184342824 /nfs/dbraw/zinc/34/28/24/184342824.db2.gz RMCKNMHGTQDLLN-SYZQJQIISA-N 1 1 306.413 4.238 50 0 DIAAMO C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)c1ccncc1 ZINC000057570484 256538272 /nfs/dbraw/zinc/53/82/72/256538272.db2.gz SGJJKDCGIJWYLL-LLVKDONJSA-N 1 1 301.440 4.117 50 0 DIAAMO C(=C\[C@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000542803049 341021188 /nfs/dbraw/zinc/02/11/88/341021188.db2.gz SVWGOFXMTQVQNN-BLIJAFNYSA-N 1 1 321.380 4.007 50 0 DIAAMO C(=C\[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000542803049 341021189 /nfs/dbraw/zinc/02/11/89/341021189.db2.gz SVWGOFXMTQVQNN-BLIJAFNYSA-N 1 1 321.380 4.007 50 0 DIAAMO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@@H+]1CCC[C@H](C)C1 ZINC000008717540 563950099 /nfs/dbraw/zinc/95/00/99/563950099.db2.gz XIRSHRHDGYANLR-NSHDSACASA-N 1 1 304.821 4.134 50 0 DIAAMO CC[N@@H+]1CCn2c3ccc(Br)cc3c3c2[C@H]1CCC3 ZINC000000074817 563213600 /nfs/dbraw/zinc/21/36/00/563213600.db2.gz VRTKXFMWBVSAET-OAHLLOKOSA-N 1 1 319.246 4.117 50 0 DIAAMO CC[N@H+]1CCn2c3ccc(Br)cc3c3c2[C@H]1CCC3 ZINC000000074817 563213602 /nfs/dbraw/zinc/21/36/02/563213602.db2.gz VRTKXFMWBVSAET-OAHLLOKOSA-N 1 1 319.246 4.117 50 0 DIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@@H]3C)c2c(C)c1Cl ZINC000002365508 563302960 /nfs/dbraw/zinc/30/29/60/563302960.db2.gz WBCDOZMPCKMONV-LBPRGKRZSA-N 1 1 319.832 4.438 50 0 biogenic DIAAMO Fc1ccc(C(F)(F)F)cc1C[NH2+]Cc1ccc(Cl)nc1 ZINC000071904742 563331847 /nfs/dbraw/zinc/33/18/47/563331847.db2.gz ZRQZRCZWQHEAKO-UHFFFAOYSA-N 1 1 318.701 4.183 50 0 DIAAMO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CCCC1 ZINC000097491333 563351170 /nfs/dbraw/zinc/35/11/70/563351170.db2.gz WJEGVPPQPCKPDJ-CQSZACIVSA-N 1 1 322.880 4.124 50 0 DIAAMO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](CC2CCCCC2)C1 ZINC000011812946 563359058 /nfs/dbraw/zinc/35/90/58/563359058.db2.gz VWWQAARRMRUNRZ-FQEVSTJZSA-N 1 1 319.464 4.023 50 0 DIAAMO CC(C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000012151099 563362898 /nfs/dbraw/zinc/36/28/98/563362898.db2.gz WHUGFVVYKCADRX-HNNXBMFYSA-N 1 1 301.409 4.051 50 0 DIAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012201755 563364467 /nfs/dbraw/zinc/36/44/67/563364467.db2.gz XOEIVUUUKKSYEN-CQSZACIVSA-N 1 1 303.471 4.246 50 0 DIAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](CC4CC4)C3)ccc2c1 ZINC000012466812 563369670 /nfs/dbraw/zinc/36/96/70/563369670.db2.gz FRZXPZFVZUQQHN-IBGZPJMESA-N 1 1 323.436 4.153 50 0 DIAAMO Cc1cc(C)c2cc(C[NH2+]Cc3cccnc3)c(Cl)nc2c1 ZINC000013534800 563382724 /nfs/dbraw/zinc/38/27/24/563382724.db2.gz JWPPQNXEZABRPH-UHFFFAOYSA-N 1 1 311.816 4.190 50 0 DIAAMO CC(C)(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000014991681 563404448 /nfs/dbraw/zinc/40/44/48/563404448.db2.gz DDLVEEQRESXMPF-OAHLLOKOSA-N 1 1 315.436 4.441 50 0 DIAAMO O[C@@H]1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)[NH+]2CCC1CC2 ZINC000015016997 563405559 /nfs/dbraw/zinc/40/55/59/563405559.db2.gz RNNIXJCZFLCQKU-QMJOVRGKSA-N 1 1 315.800 4.027 50 0 DIAAMO C[NH+](C)[C@@H](CNc1nc2ccccc2o1)c1ccccc1Cl ZINC000029336022 563433894 /nfs/dbraw/zinc/43/38/94/563433894.db2.gz GQLBWGFJDUCKFE-HNNXBMFYSA-N 1 1 315.804 4.196 50 0 DIAAMO CC(C)Cc1cc(-c2ccc(Br)cc2)cc(N)[nH+]1 ZINC000030835701 563438993 /nfs/dbraw/zinc/43/89/93/563438993.db2.gz UPWHTHGIWMMERY-UHFFFAOYSA-N 1 1 305.219 4.292 50 0 DIAAMO Cc1ccsc1[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1C ZINC000033087104 563444334 /nfs/dbraw/zinc/44/43/34/563444334.db2.gz RQYQWMRZBKQFGS-INIZCTEOSA-N 1 1 303.475 4.216 50 0 DIAAMO CCC1CCC([N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000000213782 563446889 /nfs/dbraw/zinc/44/68/89/563446889.db2.gz SRBRTDYVRHOMBP-UHFFFAOYSA-N 1 1 303.446 4.031 50 0 DIAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000022078294 563448706 /nfs/dbraw/zinc/44/87/06/563448706.db2.gz LNEOUCDXRBFVTR-LAUBAEHRSA-N 1 1 322.452 4.147 50 0 DIAAMO COc1ccc(CC[N@@H+](C)Cc2cccc(Cl)c2)cc1OC ZINC000023114731 563449597 /nfs/dbraw/zinc/44/95/97/563449597.db2.gz MJVYEBUWRNKZPH-UHFFFAOYSA-N 1 1 319.832 4.032 50 0 DIAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2Br)on1 ZINC000052009748 563469136 /nfs/dbraw/zinc/46/91/36/563469136.db2.gz IIVWDCKLKNMERT-AWEZNQCLSA-N 1 1 321.218 4.083 50 0 DIAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2Br)on1 ZINC000052009748 563469137 /nfs/dbraw/zinc/46/91/37/563469137.db2.gz IIVWDCKLKNMERT-AWEZNQCLSA-N 1 1 321.218 4.083 50 0 DIAAMO CCn1nc(C)c(C[N@@H+](CC)Cc2cnc3ccccc3c2)c1C ZINC000055283607 563473756 /nfs/dbraw/zinc/47/37/56/563473756.db2.gz PAUFUJJWUSSVJV-UHFFFAOYSA-N 1 1 322.456 4.090 50 0 DIAAMO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000095427060 563477826 /nfs/dbraw/zinc/47/78/26/563477826.db2.gz ZTAAURZINKAKGE-WDEREUQCSA-N 1 1 300.793 4.023 50 0 DIAAMO C[C@@H]([NH2+][C@@H](C)c1nc2cc(Cl)ccc2[nH]1)c1ccncc1 ZINC000095427059 563478070 /nfs/dbraw/zinc/47/80/70/563478070.db2.gz ZTAAURZINKAKGE-MNOVXSKESA-N 1 1 300.793 4.023 50 0 DIAAMO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000096477626 563484694 /nfs/dbraw/zinc/48/46/94/563484694.db2.gz MBWXCBLCYWFQQQ-NXEZZACHSA-N 1 1 308.809 4.365 50 0 DIAAMO Cc1ccc(-c2noc([C@@H](C)n3cc[nH+]c3C(C)(C)C)n2)cc1 ZINC000067643457 563488923 /nfs/dbraw/zinc/48/89/23/563488923.db2.gz UWYQNTHHHRJXNT-CYBMUJFWSA-N 1 1 310.401 4.148 50 0 DIAAMO Cc1cn(Cc2nc(-c3ccccc3Cl)oc2C)c(C)[nH+]1 ZINC000067871517 563492133 /nfs/dbraw/zinc/49/21/33/563492133.db2.gz FYKZIIIGFCRMQN-UHFFFAOYSA-N 1 1 301.777 4.165 50 0 DIAAMO CNc1nc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)cs1 ZINC000072149400 563502452 /nfs/dbraw/zinc/50/24/52/563502452.db2.gz 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CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC(C)(C)C)c1 ZINC000048364342 563698234 /nfs/dbraw/zinc/69/82/34/563698234.db2.gz NHKFNDKFPUYZNF-UHFFFAOYSA-N 1 1 313.445 4.430 50 0 DIAAMO C[C@H](C[N@@H+]1CC=CCC1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000100812186 563700195 /nfs/dbraw/zinc/70/01/95/563700195.db2.gz JRLONDNYHCBKKH-DENIHFKCSA-N 1 1 321.464 4.015 50 0 DIAAMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)c1C ZINC000215242614 563704249 /nfs/dbraw/zinc/70/42/49/563704249.db2.gz FUSBMGVXRSCALA-HNNXBMFYSA-N 1 1 317.864 4.163 50 0 DIAAMO C[N@@H+](Cc1ccc([C@@H]2CCCO2)s1)C1Cc2ccccc2C1 ZINC000215538808 563706558 /nfs/dbraw/zinc/70/65/58/563706558.db2.gz HKGNMPLTRKBOCX-SFHVURJKSA-N 1 1 313.466 4.199 50 0 DIAAMO COc1cccc([C@H]2CC[N@@H+]2Cc2cc3c(cc2OC)CCC3)c1 ZINC000216385717 563709903 /nfs/dbraw/zinc/70/99/03/563709903.db2.gz CSRRHXKITRHTGE-HXUWFJFHSA-N 1 1 323.436 4.140 50 0 DIAAMO COc1cccc([C@H]2CC[N@H+]2Cc2cc3c(cc2OC)CCC3)c1 ZINC000216385717 563709906 /nfs/dbraw/zinc/70/99/06/563709906.db2.gz 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CCCC[N@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000002490396 563938281 /nfs/dbraw/zinc/93/82/81/563938281.db2.gz PFQSSMKHKLCPPA-HXUWFJFHSA-N 1 1 309.453 4.187 50 0 DIAAMO Cc1nc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)oc1C ZINC000066425249 563946454 /nfs/dbraw/zinc/94/64/54/563946454.db2.gz OEYVADIEZSJYRJ-HNNXBMFYSA-N 1 1 304.821 4.152 50 0 DIAAMO C[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc2ccccc2c1 ZINC000008127529 563946738 /nfs/dbraw/zinc/94/67/38/563946738.db2.gz TWZOWJZOQVSCIX-UHFFFAOYSA-N 1 1 322.383 4.049 50 0 DIAAMO C[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc2ccccc2c1 ZINC000008127529 563946739 /nfs/dbraw/zinc/94/67/39/563946739.db2.gz TWZOWJZOQVSCIX-UHFFFAOYSA-N 1 1 322.383 4.049 50 0 DIAAMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC000008127375 563946861 /nfs/dbraw/zinc/94/68/61/563946861.db2.gz LFAHTBWFRLNBCP-UHFFFAOYSA-N 1 1 318.420 4.219 50 0 DIAAMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC000008127375 563946862 /nfs/dbraw/zinc/94/68/62/563946862.db2.gz LFAHTBWFRLNBCP-UHFFFAOYSA-N 1 1 318.420 4.219 50 0 DIAAMO c1ccn(C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)c1 ZINC000067378636 563949265 /nfs/dbraw/zinc/94/92/65/563949265.db2.gz XHXJAMOTFYMWHW-UHFFFAOYSA-N 1 1 313.426 4.042 50 0 DIAAMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(F)c2)c1OC ZINC000040157187 563951724 /nfs/dbraw/zinc/95/17/24/563951724.db2.gz IJUUGKHOMAWQJH-CYBMUJFWSA-N 1 1 303.377 4.036 50 0 DIAAMO CCC[C@H](C)[N@H+]1Cc2cccc(NCc3c(C)noc3C)c2C1 ZINC000069846082 563954981 /nfs/dbraw/zinc/95/49/81/563954981.db2.gz RRISYWOZCUWWOV-ZDUSSCGKSA-N 1 1 313.445 4.408 50 0 DIAAMO COc1cccc(-c2nc(C[NH2+]Cc3cccs3)cs2)c1 ZINC000071839122 563959263 /nfs/dbraw/zinc/95/92/63/563959263.db2.gz ZWMWOTNUMSFBRU-UHFFFAOYSA-N 1 1 316.451 4.170 50 0 DIAAMO Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccccn1 ZINC000077454234 563960719 /nfs/dbraw/zinc/96/07/19/563960719.db2.gz MSZQZRADFXCNAK-HXUWFJFHSA-N 1 1 306.384 4.294 50 0 DIAAMO c1coc(-c2nnc(C[N@@H+]3CCCCC[C@@H]3c3ccco3)o2)c1 ZINC000077177039 563960779 /nfs/dbraw/zinc/96/07/79/563960779.db2.gz YMTSXKDVXQRANM-CYBMUJFWSA-N 1 1 313.357 4.040 50 0 DIAAMO c1coc(-c2nnc(C[N@H+]3CCCCC[C@@H]3c3ccco3)o2)c1 ZINC000077177039 563960781 /nfs/dbraw/zinc/96/07/81/563960781.db2.gz YMTSXKDVXQRANM-CYBMUJFWSA-N 1 1 313.357 4.040 50 0 DIAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(F)CC1 ZINC000067433619 568413506 /nfs/dbraw/zinc/41/35/06/568413506.db2.gz QLHBGQWIDAPPRC-UHFFFAOYSA-N 1 1 308.784 4.237 50 0 DIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)C1 ZINC000032931178 568416510 /nfs/dbraw/zinc/41/65/10/568416510.db2.gz HXDXSJLQUOXYKA-SJORKVTESA-N 1 1 312.457 4.213 50 0 DIAAMO CC(=O)Nc1cccc2c1CC[N@H+](CC[C@H](C)c1ccccc1)C2 ZINC000193787158 1037221251 /nfs/dbraw/zinc/22/12/51/1037221251.db2.gz QPIZSFRBEKEYDV-INIZCTEOSA-N 1 1 322.452 4.197 50 0 DIAAMO Cc1c(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2F)cnn1C ZINC000692332449 1038170008 /nfs/dbraw/zinc/17/00/08/1038170008.db2.gz WVIIPQOYKGEIHA-QMMMGPOBSA-N 1 1 316.207 4.025 50 0 DIAAMO FC(F)(F)Oc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000023280633 1040549019 /nfs/dbraw/zinc/54/90/19/1040549019.db2.gz ABRUAUVLVJWRGF-UHFFFAOYSA-N 1 1 307.315 4.144 50 0 DIAAMO C[C@H]([N@H+](C)Cc1csc(COc2ccccc2)n1)C1(C)CC1 ZINC000177222272 1040572627 /nfs/dbraw/zinc/57/26/27/1040572627.db2.gz PQQHUNRPGKMLGP-AWEZNQCLSA-N 1 1 316.470 4.343 50 0 DIAAMO C[C@H]([N@@H+](C)Cc1csc(COc2ccccc2)n1)C1(C)CC1 ZINC000177222272 1040572634 /nfs/dbraw/zinc/57/26/34/1040572634.db2.gz PQQHUNRPGKMLGP-AWEZNQCLSA-N 1 1 316.470 4.343 50 0 DIAAMO CC(C)(C)c1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)no1 ZINC000585084810 1042206268 /nfs/dbraw/zinc/20/62/68/1042206268.db2.gz NKNWGZZFELZFLV-AWEZNQCLSA-N 1 1 302.393 4.101 50 0 DIAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2cc(-c3ccccc3)no2)c1 ZINC000216033438 1044341750 /nfs/dbraw/zinc/34/17/50/1044341750.db2.gz ONRWTDBJTHHFKA-INIZCTEOSA-N 1 1 321.424 4.108 50 0 DIAAMO CCOc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)ccc1OC ZINC000016662727 1045570761 /nfs/dbraw/zinc/57/07/61/1045570761.db2.gz JCTVLHBCLHHSOQ-SJORKVTESA-N 1 1 303.446 4.249 50 0 DIAAMO Fc1ccccc1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000621436169 1046259747 /nfs/dbraw/zinc/25/97/47/1046259747.db2.gz JDEJKPIDESTDOZ-VQTJNVASSA-N 1 1 316.464 4.055 50 0 DIAAMO CCC[C@H]1CCC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067695346 1047271101 /nfs/dbraw/zinc/27/11/01/1047271101.db2.gz ZJCPQULYTBMGRZ-SFHVURJKSA-N 1 1 320.440 4.161 50 0 DIAAMO C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000823766028 1050156160 /nfs/dbraw/zinc/15/61/60/1050156160.db2.gz SDPUJZCHSFLDDN-DAXOMENPSA-N 1 1 314.256 4.291 50 0 DIAAMO COc1ccc2[nH]c(C[N@@H+](Cc3cccnc3)C(C)C)c(C)c2c1 ZINC000824757775 1050243328 /nfs/dbraw/zinc/24/33/28/1050243328.db2.gz FWWIAUNJVSKDOU-UHFFFAOYSA-N 1 1 323.440 4.291 50 0 DIAAMO Cn1ccc2cc(C[N@@H+]3CCCC[C@@H]3c3nccs3)ccc21 ZINC000825640421 1050322952 /nfs/dbraw/zinc/32/29/52/1050322952.db2.gz YRJULZXRAYGOKI-QGZVFWFLSA-N 1 1 311.454 4.362 50 0 DIAAMO Cn1ccc2cc(C[N@H+]3CCCC[C@@H]3c3nccs3)ccc21 ZINC000825640421 1050322963 /nfs/dbraw/zinc/32/29/63/1050322963.db2.gz YRJULZXRAYGOKI-QGZVFWFLSA-N 1 1 311.454 4.362 50 0 DIAAMO Cc1ccc(C[NH+]2CC(n3c(C)cnc3-c3ccccc3)C2)s1 ZINC000575551779 1050649973 /nfs/dbraw/zinc/64/99/73/1050649973.db2.gz SEGRJQDYMBROCN-UHFFFAOYSA-N 1 1 323.465 4.285 50 0 DIAAMO CO[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000952978066 1051123532 /nfs/dbraw/zinc/12/35/32/1051123532.db2.gz PCMJLYHXAQWSRL-FQEVSTJZSA-N 1 1 310.441 4.065 50 0 DIAAMO CC[N@H+](Cc1ccc(-c2cccnc2)cc1)C[C@H]1CCCCO1 ZINC000952975224 1051123717 /nfs/dbraw/zinc/12/37/17/1051123717.db2.gz CQVYQBOROCCKLZ-HXUWFJFHSA-N 1 1 310.441 4.140 50 0 DIAAMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000011934128 1056874885 /nfs/dbraw/zinc/87/48/85/1056874885.db2.gz UNTRLKZPASUDRF-ZCQBWMKESA-N 1 1 321.464 4.017 50 0 DIAAMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)o1 ZINC000012076334 1056962142 /nfs/dbraw/zinc/96/21/42/1056962142.db2.gz OXLKEJBDQSLVKG-HNNXBMFYSA-N 1 1 317.816 4.336 50 0 DIAAMO Cn1cc(C[N@H+]2C[C@H]3C[C@@H]2CCC3)c(-c2cccc(Cl)c2)n1 ZINC000012469620 1056992941 /nfs/dbraw/zinc/99/29/41/1056992941.db2.gz OQJFZIHZBJLCCR-DYVFJYSZSA-N 1 1 315.848 4.115 50 0 DIAAMO C[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)C1CCCCC1 ZINC000012457012 1056992962 /nfs/dbraw/zinc/99/29/62/1056992962.db2.gz OAZMNKQIIQXHKY-UHFFFAOYSA-N 1 1 319.836 4.078 50 0 DIAAMO CC(C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012244379 1057000494 /nfs/dbraw/zinc/00/04/94/1057000494.db2.gz MOXQXAHYQGQFHV-ZDUSSCGKSA-N 1 1 319.399 4.190 50 0 DIAAMO COCc1cc(C[N@@H+](C)[C@H](C)c2cccs2)ccc1OC ZINC001506420553 1063510702 /nfs/dbraw/zinc/51/07/02/1063510702.db2.gz IVIBEYIZTORFAL-CYBMUJFWSA-N 1 1 305.443 4.096 50 0 DIAAMO