smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)c1nncn1C ZINC000952972016 1032676263 /nfs/dbraw/zinc/67/62/63/1032676263.db2.gz AMTFHRVJCBTBFH-NSHDSACASA-N 1 2 316.792 3.579 50 0 DHAALO c1ccc(C(c2noc(C[NH+]3CCCC3)n2)c2ccccc2)cc1 ZINC000012074388 1019906024 /nfs/dbraw/zinc/90/60/24/1019906024.db2.gz CJDJXDJMHXYPAA-UHFFFAOYSA-N 1 2 319.408 3.846 50 0 DHAALO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000534343098 1020485307 /nfs/dbraw/zinc/48/53/07/1020485307.db2.gz VQEPOXMWFINFDB-GOSISDBHSA-N 1 2 306.413 3.696 50 0 DHAALO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000534343098 1020485315 /nfs/dbraw/zinc/48/53/15/1020485315.db2.gz VQEPOXMWFINFDB-GOSISDBHSA-N 1 2 306.413 3.696 50 0 DHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000581807416 1020909604 /nfs/dbraw/zinc/90/96/04/1020909604.db2.gz JAFIQCNVADKASB-INIZCTEOSA-N 1 2 321.380 3.539 50 0 DHAALO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000007878276 1022842250 /nfs/dbraw/zinc/84/22/50/1022842250.db2.gz REVNKJMPMDSWAO-AWEZNQCLSA-N 1 2 314.454 3.923 50 0 DHAALO Cc1cccc(C)c1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000007878276 1022842258 /nfs/dbraw/zinc/84/22/58/1022842258.db2.gz REVNKJMPMDSWAO-AWEZNQCLSA-N 1 2 314.454 3.923 50 0 DHAALO CC[C@H]1C[N@H+](Cc2ccccn2)Cc2ccc(Cl)cc2O1 ZINC000299776593 1023303851 /nfs/dbraw/zinc/30/38/51/1023303851.db2.gz DIAGICOQBLYHOC-INIZCTEOSA-N 1 2 302.805 3.908 50 0 DHAALO CC[C@H]1C[N@@H+](Cc2ccccn2)Cc2ccc(Cl)cc2O1 ZINC000299776593 1023303862 /nfs/dbraw/zinc/30/38/62/1023303862.db2.gz DIAGICOQBLYHOC-INIZCTEOSA-N 1 2 302.805 3.908 50 0 DHAALO Cc1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)nn1C ZINC000170046010 1035289849 /nfs/dbraw/zinc/28/98/49/1035289849.db2.gz ZRLNWQRPQNFTFM-FQEVSTJZSA-N 1 2 305.425 3.916 50 0 DHAALO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000158179746 1039086105 /nfs/dbraw/zinc/08/61/05/1039086105.db2.gz IYFPSSBVJKFLCM-HNNXBMFYSA-N 1 2 319.408 3.780 50 0 DHAALO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000158179746 1039086131 /nfs/dbraw/zinc/08/61/31/1039086131.db2.gz IYFPSSBVJKFLCM-HNNXBMFYSA-N 1 2 319.408 3.780 50 0 DHAALO CC[N@H+](Cc1nc(C)c2ccccc2n1)[C@H](C)c1cccnc1 ZINC000089969387 185272374 /nfs/dbraw/zinc/27/23/74/185272374.db2.gz QTOLFWQVNZNEAS-OAHLLOKOSA-N 1 2 306.413 3.916 50 0 DHAALO CC[N@@H+](Cc1nc(C)c2ccccc2n1)[C@H](C)c1cccnc1 ZINC000089969387 185272375 /nfs/dbraw/zinc/27/23/75/185272375.db2.gz QTOLFWQVNZNEAS-OAHLLOKOSA-N 1 2 306.413 3.916 50 0 DHAALO Oc1ccc(-c2[nH+]ccn2C[C@@H](O)c2ccccc2)cc1Cl ZINC000082096793 192354564 /nfs/dbraw/zinc/35/45/64/192354564.db2.gz QCSXBPDVQUVYAV-MRXNPFEDSA-N 1 2 314.772 3.643 50 0 DHAALO Cc1nnc([C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)c2ccccc2)[nH]1 ZINC000095421731 185360643 /nfs/dbraw/zinc/36/06/43/185360643.db2.gz AMSPZROQRILBRP-OALUTQOASA-N 1 2 318.424 3.788 50 0 DHAALO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000095467282 185372087 /nfs/dbraw/zinc/37/20/87/185372087.db2.gz WEICOKMDHXRLGJ-GFCCVEGCSA-N 1 2 324.306 3.798 50 0 DHAALO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ncc(-c2cccs2)o1 ZINC000095462622 185371331 /nfs/dbraw/zinc/37/13/31/185371331.db2.gz HQSOHOYPZDTMGB-VIFPVBQESA-N 1 2 303.387 3.859 50 0 DHAALO Cc1ccc(NC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000095467285 185372211 /nfs/dbraw/zinc/37/22/11/185372211.db2.gz BQUAOTDPYBRPEE-ZDUSSCGKSA-N 1 2 304.781 3.741 50 0 DHAALO C=Cc1cccc([C@H]2c3[nH]cnc3CC[N@H+]2Cc2cccnc2)c1 ZINC000071749036 191020863 /nfs/dbraw/zinc/02/08/63/191020863.db2.gz QVTRQDRLBQFZDT-FQEVSTJZSA-N 1 2 316.408 3.595 50 0 DHAALO C=Cc1cccc([C@H]2c3[nH]cnc3CC[N@@H+]2Cc2cccnc2)c1 ZINC000071749036 191020865 /nfs/dbraw/zinc/02/08/65/191020865.db2.gz QVTRQDRLBQFZDT-FQEVSTJZSA-N 1 2 316.408 3.595 50 0 DHAALO CCc1[nH]c(C)c(-c2nccn2CCCc2scnc2C)[nH+]1 ZINC000071753706 191023803 /nfs/dbraw/zinc/02/38/03/191023803.db2.gz JOIWUBQZBWJXGV-UHFFFAOYSA-N 1 2 315.446 3.542 50 0 DHAALO CCCOCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071752172 191024207 /nfs/dbraw/zinc/02/42/07/191024207.db2.gz PPGDVKCFGPXISE-OAHLLOKOSA-N 1 2 318.244 3.793 50 0 DHAALO CCCOCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071752172 191024208 /nfs/dbraw/zinc/02/42/08/191024208.db2.gz PPGDVKCFGPXISE-OAHLLOKOSA-N 1 2 318.244 3.793 50 0 DHAALO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)co1 ZINC000072162025 191062486 /nfs/dbraw/zinc/06/24/86/191062486.db2.gz DICNUVXHLJEBNY-CQSZACIVSA-N 1 2 310.401 3.547 50 0 DHAALO Cc1nc(C[N@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)co1 ZINC000072162025 191062487 /nfs/dbraw/zinc/06/24/87/191062487.db2.gz DICNUVXHLJEBNY-CQSZACIVSA-N 1 2 310.401 3.547 50 0 DHAALO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1csc(C(C)C)n1 ZINC000072298462 191112670 /nfs/dbraw/zinc/11/26/70/191112670.db2.gz CLMWUQDHCYYBLP-CQSZACIVSA-N 1 2 304.463 3.650 50 0 DHAALO C[C@@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000253392642 186302820 /nfs/dbraw/zinc/30/28/20/186302820.db2.gz SCYKMURPJHQTAL-ZIAGYGMSSA-N 1 2 302.422 3.599 50 0 DHAALO C[C@@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000253392642 186302822 /nfs/dbraw/zinc/30/28/22/186302822.db2.gz SCYKMURPJHQTAL-ZIAGYGMSSA-N 1 2 302.422 3.599 50 0 DHAALO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2ccccc2Br)C1 ZINC000003356250 181011310 /nfs/dbraw/zinc/01/13/10/181011310.db2.gz GUZIGOXEYHEGPJ-VXGBXAGGSA-N 1 2 310.235 3.610 50 0 DHAALO CCc1nc2c3ccccc3oc2c(NCCCn2cc[nH+]c2)n1 ZINC000004039425 181065760 /nfs/dbraw/zinc/06/57/60/181065760.db2.gz INEALGDDFGZRFY-UHFFFAOYSA-N 1 2 321.384 3.637 50 0 DHAALO CC(C)c1cc(Br)ccc1OCCn1cc[nH+]c1 ZINC000004842559 181162019 /nfs/dbraw/zinc/16/20/19/181162019.db2.gz XPEMWVLXBPQEDD-UHFFFAOYSA-N 1 2 309.207 3.848 50 0 DHAALO Cc1cc(C)n(-c2cc(N3CCCC3)[nH+]c(-c3ccccc3)n2)n1 ZINC000005426938 181242511 /nfs/dbraw/zinc/24/25/11/181242511.db2.gz DQNFCTBUZZTEQB-UHFFFAOYSA-N 1 2 319.412 3.546 50 0 DHAALO Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ncc[nH]1)c1cccnc1)CCC2 ZINC000195085781 201336574 /nfs/dbraw/zinc/33/65/74/201336574.db2.gz NFHPSMSZWNJHII-MOPGFXCFSA-N 1 2 318.424 3.870 50 0 DHAALO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ncc[nH]1)c1cccnc1)CCC2 ZINC000195085820 201336809 /nfs/dbraw/zinc/33/68/09/201336809.db2.gz NFHPSMSZWNJHII-RBUKOAKNSA-N 1 2 318.424 3.870 50 0 DHAALO Cc1c2ccc(C)cc2oc1C(=O)NCc1c[nH+]cn1C1CC1 ZINC000091381534 193048578 /nfs/dbraw/zinc/04/85/78/193048578.db2.gz AGIXPQNNCCWCNU-UHFFFAOYSA-N 1 2 309.369 3.511 50 0 DHAALO O[C@@H]1C[N@H+](Cc2cc(C3CCCCC3)no2)Cc2ccccc21 ZINC000091526430 193070081 /nfs/dbraw/zinc/07/00/81/193070081.db2.gz OXRAWWZDTVUWRN-LJQANCHMSA-N 1 2 312.413 3.772 50 0 DHAALO O[C@@H]1C[N@@H+](Cc2cc(C3CCCCC3)no2)Cc2ccccc21 ZINC000091526430 193070082 /nfs/dbraw/zinc/07/00/82/193070082.db2.gz OXRAWWZDTVUWRN-LJQANCHMSA-N 1 2 312.413 3.772 50 0 DHAALO Cc1c[nH]c(CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)[nH+]1 ZINC000091934525 193129290 /nfs/dbraw/zinc/12/92/90/193129290.db2.gz ZIZADDKIKYXQAN-UHFFFAOYSA-N 1 2 312.200 3.606 50 0 DHAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)s1 ZINC000091973690 193133937 /nfs/dbraw/zinc/13/39/37/193133937.db2.gz SVJVXXCHKMSPSE-UHFFFAOYSA-N 1 2 317.458 3.854 50 0 DHAALO CC(C)N(C(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccccc1 ZINC000095350574 193426454 /nfs/dbraw/zinc/42/64/54/193426454.db2.gz QZRAPPHFJJRYFU-UHFFFAOYSA-N 1 2 319.408 3.992 50 0 DHAALO Cn1ncc2c1nc[nH+]c2Nc1ccc(Nc2ccccc2)cc1 ZINC000014207581 181937350 /nfs/dbraw/zinc/93/73/50/181937350.db2.gz GEZNXTGBAMPUCI-UHFFFAOYSA-N 1 2 316.368 3.851 50 0 DHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866869 182022933 /nfs/dbraw/zinc/02/29/33/182022933.db2.gz FETYNDDTAROKOG-AWEZNQCLSA-N 1 2 314.414 3.772 50 0 DHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866869 182022934 /nfs/dbraw/zinc/02/29/34/182022934.db2.gz FETYNDDTAROKOG-AWEZNQCLSA-N 1 2 314.414 3.772 50 0 DHAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000016903140 182063861 /nfs/dbraw/zinc/06/38/61/182063861.db2.gz LEROOUNIGCWUSK-MRXNPFEDSA-N 1 2 322.408 3.662 50 0 DHAALO Fc1cccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000019781847 182148532 /nfs/dbraw/zinc/14/85/32/182148532.db2.gz DGLNEKKQTPYEJE-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO Fc1cccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000019781847 182148533 /nfs/dbraw/zinc/14/85/33/182148533.db2.gz DGLNEKKQTPYEJE-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO c1cc(-c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2)n[nH]1 ZINC000020668389 182241761 /nfs/dbraw/zinc/24/17/61/182241761.db2.gz ZLWMAWXZAZYUFI-UHFFFAOYSA-N 1 2 300.365 3.989 50 0 DHAALO C[C@H]1C[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H](C)O1 ZINC000020938351 182255984 /nfs/dbraw/zinc/25/59/84/182255984.db2.gz DODVCGJPKJZHMA-RYUDHWBXSA-N 1 2 306.793 3.604 50 0 DHAALO Cc1cccc(C[N@@H+]2CCO[C@@H](CCCc3ccccc3)C2)n1 ZINC000023337385 182357164 /nfs/dbraw/zinc/35/71/64/182357164.db2.gz IRFKEDWCSZLEKZ-FQEVSTJZSA-N 1 2 310.441 3.614 50 0 DHAALO Cc1cccc(C[N@H+]2CCO[C@@H](CCCc3ccccc3)C2)n1 ZINC000023337385 182357166 /nfs/dbraw/zinc/35/71/66/182357166.db2.gz IRFKEDWCSZLEKZ-FQEVSTJZSA-N 1 2 310.441 3.614 50 0 DHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3CCCCC3)n2)C1 ZINC000024887873 182393750 /nfs/dbraw/zinc/39/37/50/182393750.db2.gz HSEHWURUCNKEBX-CYBMUJFWSA-N 1 2 321.490 3.894 50 0 DHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3CCCCC3)n2)C1 ZINC000024887873 182393752 /nfs/dbraw/zinc/39/37/52/182393752.db2.gz HSEHWURUCNKEBX-CYBMUJFWSA-N 1 2 321.490 3.894 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000040504750 183084598 /nfs/dbraw/zinc/08/45/98/183084598.db2.gz UDRDZMQLDMOLFF-IBGZPJMESA-N 1 2 307.397 3.698 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000040504750 183084601 /nfs/dbraw/zinc/08/46/01/183084601.db2.gz UDRDZMQLDMOLFF-IBGZPJMESA-N 1 2 307.397 3.698 50 0 DHAALO CC[N@H+](Cc1cccs1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000057446501 184038582 /nfs/dbraw/zinc/03/85/82/184038582.db2.gz VRKRHKMLJVZFRX-GFCCVEGCSA-N 1 2 313.426 3.568 50 0 DHAALO CC[N@@H+](Cc1cccs1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000057446501 184038583 /nfs/dbraw/zinc/03/85/83/184038583.db2.gz VRKRHKMLJVZFRX-GFCCVEGCSA-N 1 2 313.426 3.568 50 0 DHAALO C[N@H+](CCOc1cccc(F)c1)Cc1ncc(C(C)(C)C)o1 ZINC000058159954 184082248 /nfs/dbraw/zinc/08/22/48/184082248.db2.gz ZPBYKOOTIBCYBY-UHFFFAOYSA-N 1 2 306.381 3.622 50 0 DHAALO C[N@@H+](CCOc1cccc(F)c1)Cc1ncc(C(C)(C)C)o1 ZINC000058159954 184082250 /nfs/dbraw/zinc/08/22/50/184082250.db2.gz ZPBYKOOTIBCYBY-UHFFFAOYSA-N 1 2 306.381 3.622 50 0 DHAALO CC[N@H+](Cc1nnn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000065239688 184317242 /nfs/dbraw/zinc/31/72/42/184317242.db2.gz ROSFXTWVVYSWJX-UHFFFAOYSA-N 1 2 306.413 3.598 50 0 DHAALO CC[N@@H+](Cc1nnn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000065239688 184317243 /nfs/dbraw/zinc/31/72/43/184317243.db2.gz ROSFXTWVVYSWJX-UHFFFAOYSA-N 1 2 306.413 3.598 50 0 DHAALO Clc1ccccc1-c1nnc(-c2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000065259424 184318980 /nfs/dbraw/zinc/31/89/80/184318980.db2.gz CXYYZIVUWBVDBN-UHFFFAOYSA-N 1 2 323.743 3.638 50 0 DHAALO CCCCC(=O)N[C@@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000065523003 184359095 /nfs/dbraw/zinc/35/90/95/184359095.db2.gz MYQSMMZJNKYIQP-AWEZNQCLSA-N 1 2 321.371 3.868 50 0 DHAALO Cc1nc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cs1 ZINC000040443889 331902331 /nfs/dbraw/zinc/90/23/31/331902331.db2.gz NXFBBQOPUYAACI-UHFFFAOYSA-N 1 2 318.776 3.996 50 0 DHAALO O=C(CCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000015799821 332047660 /nfs/dbraw/zinc/04/76/60/332047660.db2.gz NFGRWKJEEYJCIM-HXUWFJFHSA-N 1 2 309.409 3.723 50 0 DHAALO O=C(CCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000015799821 332047662 /nfs/dbraw/zinc/04/76/62/332047662.db2.gz NFGRWKJEEYJCIM-HXUWFJFHSA-N 1 2 309.409 3.723 50 0 DHAALO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)cs1 ZINC000328588894 534610451 /nfs/dbraw/zinc/61/04/51/534610451.db2.gz YHQUNGDGHFRKID-OAHLLOKOSA-N 1 2 314.414 3.772 50 0 DHAALO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)cs1 ZINC000328588894 534610456 /nfs/dbraw/zinc/61/04/56/534610456.db2.gz YHQUNGDGHFRKID-OAHLLOKOSA-N 1 2 314.414 3.772 50 0 DHAALO FC(F)(F)C[C@H]([NH2+]Cc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000096486405 563937344 /nfs/dbraw/zinc/93/73/44/563937344.db2.gz KTRGVFLZMBLPIY-NSHDSACASA-N 1 2 303.715 3.846 50 0 DHAALO FC(F)(F)C[C@H](NCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000096486405 563937345 /nfs/dbraw/zinc/93/73/45/563937345.db2.gz KTRGVFLZMBLPIY-NSHDSACASA-N 1 2 303.715 3.846 50 0 DHAALO CCc1cc(C)cc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000242883 563232730 /nfs/dbraw/zinc/23/27/30/563232730.db2.gz NRBZNDRFVRDPIW-QGZVFWFLSA-N 1 2 324.424 3.655 50 0 DHAALO Brc1c(OCCn2cc[nH+]c2)ccc2ccccc21 ZINC000000311852 563239628 /nfs/dbraw/zinc/23/96/28/563239628.db2.gz ULDULKGHNBBVGF-UHFFFAOYSA-N 1 2 317.186 3.878 50 0 DHAALO Cn1c2ccc(N)cc2[nH+]c1-c1ccc(Br)s1 ZINC000000389931 563249233 /nfs/dbraw/zinc/24/92/33/563249233.db2.gz RBVSXDJKXPEKNW-UHFFFAOYSA-N 1 2 308.204 3.647 50 0 DHAALO CC(C)Cc1nnc([C@@H](C)Sc2[nH+]cc3ccccn32)o1 ZINC000071893921 563325529 /nfs/dbraw/zinc/32/55/29/563325529.db2.gz SMJNUHSAYHDWMO-LLVKDONJSA-N 1 2 302.403 3.769 50 0 DHAALO C[C@H]([NH2+]Cc1cnc2ccccn12)c1ncc(-c2ccccc2)o1 ZINC000097374528 563337855 /nfs/dbraw/zinc/33/78/55/563337855.db2.gz DVFQZTFHUFLDHV-AWEZNQCLSA-N 1 2 318.380 3.840 50 0 DHAALO O=C(Nc1ccccc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000069873221 563419219 /nfs/dbraw/zinc/41/92/19/563419219.db2.gz NVBOUVUGASOZJM-UHFFFAOYSA-N 1 2 322.368 3.606 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cccc(C)c1C ZINC000032951028 563425298 /nfs/dbraw/zinc/42/52/98/563425298.db2.gz PAIYSPBCXBTRDL-UHFFFAOYSA-N 1 2 322.412 3.783 50 0 DHAALO CCc1nc(C[NH2+][C@@H]2CCCc3c2cnn3C(C)(C)C)cs1 ZINC000072274462 563431681 /nfs/dbraw/zinc/43/16/81/563431681.db2.gz HFNPMQLBUBBPKV-CQSZACIVSA-N 1 2 318.490 3.824 50 0 DHAALO COc1ccccc1C[N@H+](Cc1ccoc1)Cc1cccnc1 ZINC000055168923 563471612 /nfs/dbraw/zinc/47/16/12/563471612.db2.gz JSPNZJBPMCGLNP-UHFFFAOYSA-N 1 2 308.381 3.886 50 0 DHAALO COc1ccccc1C[N@@H+](Cc1ccoc1)Cc1cccnc1 ZINC000055168923 563471616 /nfs/dbraw/zinc/47/16/16/563471616.db2.gz JSPNZJBPMCGLNP-UHFFFAOYSA-N 1 2 308.381 3.886 50 0 DHAALO Cc1ccccc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000055543625 563476261 /nfs/dbraw/zinc/47/62/61/563476261.db2.gz HASXUVADFMXWSH-UHFFFAOYSA-N 1 2 302.368 3.595 50 0 DHAALO CCc1cnc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000096441389 563482054 /nfs/dbraw/zinc/48/20/54/563482054.db2.gz HHONRKGJELIUJH-KRWDZBQOSA-N 1 2 318.392 3.557 50 0 DHAALO CCc1cnc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000096441389 563482057 /nfs/dbraw/zinc/48/20/57/563482057.db2.gz HHONRKGJELIUJH-KRWDZBQOSA-N 1 2 318.392 3.557 50 0 DHAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1sccc1Cl ZINC000067947021 563493896 /nfs/dbraw/zinc/49/38/96/563493896.db2.gz SBSVFSOPCNMTKA-UHFFFAOYSA-N 1 2 317.801 3.517 50 0 DHAALO C[C@@H](NC(=O)C[N@H+](C)Cc1ccco1)c1cccc2ccccc21 ZINC000011230844 563497658 /nfs/dbraw/zinc/49/76/58/563497658.db2.gz RXDQIGBXIHZDLO-OAHLLOKOSA-N 1 2 322.408 3.742 50 0 DHAALO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccco1)c1cccc2ccccc21 ZINC000011230844 563497662 /nfs/dbraw/zinc/49/76/62/563497662.db2.gz RXDQIGBXIHZDLO-OAHLLOKOSA-N 1 2 322.408 3.742 50 0 DHAALO CCc1cc([C@H](C)Nc2nccc(-c3ccc(C)[nH+]c3C)n2)on1 ZINC000071415577 563499616 /nfs/dbraw/zinc/49/96/16/563499616.db2.gz YXXGURKXAVGEKX-ZDUSSCGKSA-N 1 2 323.400 3.879 50 0 DHAALO O=C(c1ccc2[nH+]ccn2c1)N1CCCCC[C@@H]1c1ccco1 ZINC000076509615 563506739 /nfs/dbraw/zinc/50/67/39/563506739.db2.gz XUQKJQCDSBQZRX-OAHLLOKOSA-N 1 2 309.369 3.685 50 0 DHAALO CCc1c(C)[nH+]c2ccccc2c1NC(=O)NCc1ccncc1 ZINC000097117741 563506753 /nfs/dbraw/zinc/50/67/53/563506753.db2.gz OIVFADNTEXAALF-UHFFFAOYSA-N 1 2 320.396 3.822 50 0 DHAALO Cc1csc(N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000077486013 563511283 /nfs/dbraw/zinc/51/12/83/563511283.db2.gz RJANLWWSXRSGMJ-ZDUSSCGKSA-N 1 2 312.442 3.787 50 0 DHAALO c1csc([C@H]2C[N@H+](Cc3csc4ccccc34)CCO2)n1 ZINC000097200035 563519187 /nfs/dbraw/zinc/51/91/87/563519187.db2.gz KIFOHADGZUWJFU-CQSZACIVSA-N 1 2 316.451 3.931 50 0 DHAALO c1csc([C@H]2C[N@@H+](Cc3csc4ccccc34)CCO2)n1 ZINC000097200035 563519189 /nfs/dbraw/zinc/51/91/89/563519189.db2.gz KIFOHADGZUWJFU-CQSZACIVSA-N 1 2 316.451 3.931 50 0 DHAALO c1cn(CCOc2cccc(-c3cccc4c3OCC4)c2)c[nH+]1 ZINC000096139024 563534172 /nfs/dbraw/zinc/53/41/72/563534172.db2.gz YPXYBWKGXMUYOY-UHFFFAOYSA-N 1 2 306.365 3.564 50 0 DHAALO COc1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc2c1OCO2 ZINC000097370560 563539127 /nfs/dbraw/zinc/53/91/27/563539127.db2.gz ORDJKGVYWKIQQQ-OAHLLOKOSA-N 1 2 315.344 3.510 50 0 DHAALO COc1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc2c1OCO2 ZINC000097370560 563539129 /nfs/dbraw/zinc/53/91/29/563539129.db2.gz ORDJKGVYWKIQQQ-OAHLLOKOSA-N 1 2 315.344 3.510 50 0 DHAALO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1)CCC2 ZINC000097757935 563542635 /nfs/dbraw/zinc/54/26/35/563542635.db2.gz OTLYUBGFCIKYRZ-GOSISDBHSA-N 1 2 312.413 3.817 50 0 DHAALO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cc(C)on1)CCC2 ZINC000097757935 563542638 /nfs/dbraw/zinc/54/26/38/563542638.db2.gz OTLYUBGFCIKYRZ-GOSISDBHSA-N 1 2 312.413 3.817 50 0 DHAALO COc1cccc2c1OCCC[N@H+](Cc1coc(C(C)C)n1)C2 ZINC000097757886 563542770 /nfs/dbraw/zinc/54/27/70/563542770.db2.gz KJGROVQDYJUIIE-UHFFFAOYSA-N 1 2 316.401 3.591 50 0 DHAALO COc1cccc2c1OCCC[N@@H+](Cc1coc(C(C)C)n1)C2 ZINC000097757886 563542772 /nfs/dbraw/zinc/54/27/72/563542772.db2.gz KJGROVQDYJUIIE-UHFFFAOYSA-N 1 2 316.401 3.591 50 0 DHAALO c1c[nH+]c(CNc2ccc(N3CCc4sccc4C3)cc2)[nH]1 ZINC000127586790 563604353 /nfs/dbraw/zinc/60/43/53/563604353.db2.gz PHAVUWNLYMRJDR-UHFFFAOYSA-N 1 2 310.426 3.646 50 0 DHAALO c1nn(-c2ccccc2)c2nc[nH+]c(NC3CCCCCC3)c12 ZINC000000426449 563613334 /nfs/dbraw/zinc/61/33/34/563613334.db2.gz CRKSOICWJFYCCX-UHFFFAOYSA-N 1 2 307.401 3.950 50 0 DHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000000544524 563668770 /nfs/dbraw/zinc/66/87/70/563668770.db2.gz GYWCGDHILPYRFO-UHFFFAOYSA-N 1 2 307.401 3.504 50 0 DHAALO Clc1snnc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000048249131 563694292 /nfs/dbraw/zinc/69/42/92/563694292.db2.gz OTPGYELRTLUJLZ-ZDUSSCGKSA-N 1 2 307.850 3.789 50 0 DHAALO Clc1snnc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000048249131 563694294 /nfs/dbraw/zinc/69/42/94/563694294.db2.gz OTPGYELRTLUJLZ-ZDUSSCGKSA-N 1 2 307.850 3.789 50 0 DHAALO Cc1csc(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000048710276 563700104 /nfs/dbraw/zinc/70/01/04/563700104.db2.gz FVKUBQDAMZPWND-UHFFFAOYSA-N 1 2 318.833 3.580 50 0 DHAALO CC(C)c1nc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)co1 ZINC000215750271 563706952 /nfs/dbraw/zinc/70/69/52/563706952.db2.gz AOOMNCLKMVYATK-MRXNPFEDSA-N 1 2 320.458 3.805 50 0 DHAALO FC(F)(F)c1cccnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000052185421 563785905 /nfs/dbraw/zinc/78/59/05/563785905.db2.gz NNTVQDLNBZUTNA-UHFFFAOYSA-N 1 2 322.334 3.576 50 0 DHAALO CCc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012531870 563798201 /nfs/dbraw/zinc/79/82/01/563798201.db2.gz SWWDCDWUGUOIOG-GOSISDBHSA-N 1 2 319.408 3.502 50 0 DHAALO Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000012538833 563799224 /nfs/dbraw/zinc/79/92/24/563799224.db2.gz AOZOGRNDEJVEPN-QGZVFWFLSA-N 1 2 320.396 3.640 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cc(C)ccc1C ZINC000012602774 563803038 /nfs/dbraw/zinc/80/30/38/563803038.db2.gz SCJMXLHRYOCAAS-MRXNPFEDSA-N 1 2 324.424 3.655 50 0 DHAALO Cc1nn(C[N@@H+](C)Cc2ccccc2)c(=S)n1-c1ccccc1 ZINC000012609055 563803583 /nfs/dbraw/zinc/80/35/83/563803583.db2.gz KFJJROHUHGIDTA-UHFFFAOYSA-N 1 2 324.453 3.801 50 0 DHAALO Cc1nn(C[N@H+](C)Cc2ccccc2)c(=S)n1-c1ccccc1 ZINC000012609055 563803584 /nfs/dbraw/zinc/80/35/84/563803584.db2.gz KFJJROHUHGIDTA-UHFFFAOYSA-N 1 2 324.453 3.801 50 0 DHAALO CC[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1Cl ZINC000015295338 563803628 /nfs/dbraw/zinc/80/36/28/563803628.db2.gz MZLKMYPHNNPQIO-UHFFFAOYSA-N 1 2 322.861 3.540 50 0 DHAALO CC[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1Cl ZINC000015295338 563803629 /nfs/dbraw/zinc/80/36/29/563803629.db2.gz MZLKMYPHNNPQIO-UHFFFAOYSA-N 1 2 322.861 3.540 50 0 DHAALO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000084131217 563823828 /nfs/dbraw/zinc/82/38/28/563823828.db2.gz XMAZGNJJDOEIJH-SFHVURJKSA-N 1 2 306.413 3.788 50 0 DHAALO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000084131217 563823830 /nfs/dbraw/zinc/82/38/30/563823830.db2.gz XMAZGNJJDOEIJH-SFHVURJKSA-N 1 2 306.413 3.788 50 0 DHAALO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1 ZINC000012780891 563830520 /nfs/dbraw/zinc/83/05/20/563830520.db2.gz HPRFYOIQYWPYLT-SNVBAGLBSA-N 1 2 303.749 3.834 50 0 DHAALO C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC000026807623 563882676 /nfs/dbraw/zinc/88/26/76/563882676.db2.gz LDYHDDUMKHKVKO-TXEJJXNPSA-N 1 2 306.793 3.604 50 0 DHAALO C[C@@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC000026807623 563882677 /nfs/dbraw/zinc/88/26/77/563882677.db2.gz LDYHDDUMKHKVKO-TXEJJXNPSA-N 1 2 306.793 3.604 50 0 DHAALO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000000294209 563886899 /nfs/dbraw/zinc/88/68/99/563886899.db2.gz AEKAEVSJEHKTTE-UHFFFAOYSA-N 1 2 317.816 3.916 50 0 biogenic DHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000000294209 563886902 /nfs/dbraw/zinc/88/69/02/563886902.db2.gz AEKAEVSJEHKTTE-UHFFFAOYSA-N 1 2 317.816 3.916 50 0 biogenic DHAALO Cc1sc2ncnc(NCCc3[nH]c4ccccc4[nH+]3)c2c1C ZINC000007128753 563903548 /nfs/dbraw/zinc/90/35/48/563903548.db2.gz ASNFCHKMNRUBJO-UHFFFAOYSA-N 1 2 323.425 3.839 50 0 DHAALO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)c1ccnnc1 ZINC000089807635 563911520 /nfs/dbraw/zinc/91/15/20/563911520.db2.gz CADLLJXXXOTRMW-UHFFFAOYSA-N 1 2 321.384 3.653 50 0 DHAALO c1cn(C2CCN(c3nc(-c4ccccc4)cs3)CC2)c[nH+]1 ZINC000089851284 563911819 /nfs/dbraw/zinc/91/18/19/563911819.db2.gz KWTLUCVXDUKPMB-UHFFFAOYSA-N 1 2 310.426 3.848 50 0 DHAALO CC[C@H](C(=O)N1CCC(Oc2cc[nH+]cc2)CC1)c1ccccc1 ZINC000252509892 563916495 /nfs/dbraw/zinc/91/64/95/563916495.db2.gz YXPUPCSYOJCSCG-IBGZPJMESA-N 1 2 324.424 3.645 50 0 DHAALO Cc1cccc(C[N@@H+]2CCN(c3cc(C)ccc3C)C(=O)[C@@H]2C)c1 ZINC000037520223 563918378 /nfs/dbraw/zinc/91/83/78/563918378.db2.gz VHGTVFYPHVZUEG-SFHVURJKSA-N 1 2 322.452 3.849 50 0 DHAALO Cc1cccc(C[N@H+]2CCN(c3cc(C)ccc3C)C(=O)[C@@H]2C)c1 ZINC000037520223 563918379 /nfs/dbraw/zinc/91/83/79/563918379.db2.gz VHGTVFYPHVZUEG-SFHVURJKSA-N 1 2 322.452 3.849 50 0 DHAALO CCCCN1c2ccccc2N(CCCO)c2cc(C)[nH+]nc21 ZINC000002215476 563919369 /nfs/dbraw/zinc/91/93/69/563919369.db2.gz IHHJHOMBZIWVOJ-UHFFFAOYSA-N 1 2 312.417 3.557 50 0 DHAALO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000007926887 563921067 /nfs/dbraw/zinc/92/10/67/563921067.db2.gz QBMRNZOUVLKWJI-UHFFFAOYSA-N 1 2 316.470 3.943 50 0 DHAALO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007926887 563921069 /nfs/dbraw/zinc/92/10/69/563921069.db2.gz QBMRNZOUVLKWJI-UHFFFAOYSA-N 1 2 316.470 3.943 50 0 DHAALO c1ccc2c(c1)[nH+]c(NCc1cncnc1)n2C1CCCCC1 ZINC000124026460 563929940 /nfs/dbraw/zinc/92/99/40/563929940.db2.gz SEDZGDODMNWAHO-UHFFFAOYSA-N 1 2 307.401 3.944 50 0 DHAALO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000095969206 563933502 /nfs/dbraw/zinc/93/35/02/563933502.db2.gz HBVKEFWHACKJDU-JSGCOSHPSA-N 1 2 310.401 3.772 50 0 DHAALO CC[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1nccs1 ZINC000095988334 563934243 /nfs/dbraw/zinc/93/42/43/563934243.db2.gz SRLSAXZJLRMEBR-SNVBAGLBSA-N 1 2 301.337 3.798 50 0 DHAALO COc1ccc2ccccc2c1-c1cc(Cn2cc[nH+]c2)on1 ZINC000095993801 563934429 /nfs/dbraw/zinc/93/44/29/563934429.db2.gz GFJIXRBYZIHOPD-UHFFFAOYSA-N 1 2 305.337 3.748 50 0 DHAALO Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c2ccccc2n1 ZINC000096403398 563936572 /nfs/dbraw/zinc/93/65/72/563936572.db2.gz FMOVVNFHEQFPDB-KRWDZBQOSA-N 1 2 320.396 3.634 50 0 DHAALO O=C(CCCn1cc[nH+]c1)Nc1cccc(NC2CCCC2)c1 ZINC000096421706 563937025 /nfs/dbraw/zinc/93/70/25/563937025.db2.gz SZSQIJNBIUNORH-UHFFFAOYSA-N 1 2 312.417 3.657 50 0 DHAALO CCC[C@H](CC(=O)Nc1nc2ccccc2s1)n1cc[nH+]c1 ZINC000009338004 563955259 /nfs/dbraw/zinc/95/52/59/563955259.db2.gz OZXINAKSIAUGOP-GFCCVEGCSA-N 1 2 314.414 3.863 50 0 DHAALO Cc1cccn2cc(CSc3ncnc4ccsc43)[nH+]c12 ZINC000009364132 563955427 /nfs/dbraw/zinc/95/54/27/563955427.db2.gz 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C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000009513325 563956403 /nfs/dbraw/zinc/95/64/03/563956403.db2.gz FANOQHFCKGPRBJ-CQSZACIVSA-N 1 2 315.380 3.989 50 0 DHAALO Cn1ncc2c1nc[nH+]c2Nc1ccc(Oc2ccccc2)cc1 ZINC000009532056 563956833 /nfs/dbraw/zinc/95/68/33/563956833.db2.gz VOLWFHVBNPXYLW-UHFFFAOYSA-N 1 2 317.352 3.899 50 0 DHAALO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C2CCCCC2)[nH+]c1C ZINC000952992396 1032678878 /nfs/dbraw/zinc/67/88/78/1032678878.db2.gz LYBNIBAEBAGJPN-IKGGRYGDSA-N 1 2 315.461 3.906 50 0 DHAALO Cc1cc(Nc2nnc(C(F)F)o2)c[nH+]c1N1CCCC[C@@H]1C ZINC000293250279 1021358235 /nfs/dbraw/zinc/35/82/35/1021358235.db2.gz WOFZULPOVRTRLX-JTQLQIEISA-N 1 2 323.347 3.833 50 0 DHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000257178014 1022194919 /nfs/dbraw/zinc/19/49/19/1022194919.db2.gz BLDIUSXBQAYUKU-QGZVFWFLSA-N 1 2 311.429 3.678 50 0 DHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000000364273 1023936592 /nfs/dbraw/zinc/93/65/92/1023936592.db2.gz 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COc1ccc(OC)c(-n2cc[nH+]c2[C@@H]2CCOC(C)(C)C2)c1 ZINC000071748257 191021085 /nfs/dbraw/zinc/02/10/85/191021085.db2.gz QKEFFDCURCMOHO-CYBMUJFWSA-N 1 2 316.401 3.562 50 0 DHAALO c1cn(Cc2cnc(-c3ccccc3)s2)c([C@H]2CCOC2)[nH+]1 ZINC000071755272 191024973 /nfs/dbraw/zinc/02/49/73/191024973.db2.gz UYEMPSZVLWTATE-AWEZNQCLSA-N 1 2 311.410 3.559 50 0 DHAALO CSc1ccc(-c2[nH+]ccn2CCc2c(C)n[nH]c2C)cc1 ZINC000071759896 191025621 /nfs/dbraw/zinc/02/56/21/191025621.db2.gz UIGKLZPMWDQZOY-UHFFFAOYSA-N 1 2 312.442 3.855 50 0 DHAALO Cc1cccnc1C[C@@H](C)n1cc[nH+]c1-c1ccc2c(c1)OCO2 ZINC000071765078 191026975 /nfs/dbraw/zinc/02/69/75/191026975.db2.gz PAPDZYVROAVCLC-CQSZACIVSA-N 1 2 321.380 3.786 50 0 DHAALO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2nc(C)sc2C)cs1 ZINC000072158367 191061392 /nfs/dbraw/zinc/06/13/92/191061392.db2.gz BPQKDDNUHXRZBU-SECBINFHSA-N 1 2 324.471 3.801 50 0 DHAALO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2nc(C)sc2C)cs1 ZINC000072158367 191061393 /nfs/dbraw/zinc/06/13/93/191061393.db2.gz BPQKDDNUHXRZBU-SECBINFHSA-N 1 2 324.471 3.801 50 0 DHAALO Cc1ccc(F)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000072407407 191152649 /nfs/dbraw/zinc/15/26/49/191152649.db2.gz QDJZQDBGBAKXNQ-UHFFFAOYSA-N 1 2 321.783 3.530 50 0 DHAALO O=C(NCCCn1cc[nH+]c1)c1cc2c(ccc3ccccc23)o1 ZINC000004025099 181063382 /nfs/dbraw/zinc/06/33/82/181063382.db2.gz YCQXFGFPFJEFRZ-UHFFFAOYSA-N 1 2 319.364 3.603 50 0 DHAALO CCc1[nH+]cc([C@](O)(c2ccccc2)c2cc(C)ccc2C)n1C ZINC000004662666 181133354 /nfs/dbraw/zinc/13/33/54/181133354.db2.gz ATZIDGRZRBSITN-NRFANRHFSA-N 1 2 320.436 3.884 50 0 DHAALO Cc1[nH+]c2ccccc2c(NC(=O)c2cnccn2)c1C(C)C ZINC000191320949 200671315 /nfs/dbraw/zinc/67/13/15/200671315.db2.gz PGOAHBXXILZONO-UHFFFAOYSA-N 1 2 306.369 3.709 50 0 DHAALO CC(=O)N(C)CCCCc1c[nH+]c(C)c2[nH]c3ccccc3c21 ZINC000006130211 181315450 /nfs/dbraw/zinc/31/54/50/181315450.db2.gz BCCCBOFRSPINSB-UHFFFAOYSA-N 1 2 309.413 3.826 50 0 biogenic DHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3NC2CCCCC2)c1 ZINC000006528269 181349669 /nfs/dbraw/zinc/34/96/69/181349669.db2.gz LVCYPOWUAJICJV-UHFFFAOYSA-N 1 2 307.401 3.869 50 0 DHAALO CC(C)CNc1[nH+]cnc2c1cnn2Cc1ccccc1Cl ZINC000006760128 181384496 /nfs/dbraw/zinc/38/44/96/181384496.db2.gz RAKUNOAGCOOLHT-UHFFFAOYSA-N 1 2 315.808 3.596 50 0 DHAALO CC(C)=CCC[C@]1(C)CCC(=O)N(CCCc2[nH]cc[nH+]2)C1 ZINC000091381140 193049013 /nfs/dbraw/zinc/04/90/13/193049013.db2.gz OQEKVNLYEJYLSY-GOSISDBHSA-N 1 2 303.450 3.717 50 0 DHAALO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000012781354 181797119 /nfs/dbraw/zinc/79/71/19/181797119.db2.gz VBPWCTDWDUXLFY-UHFFFAOYSA-N 1 2 315.442 3.690 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccco2)cc1C ZINC000013496870 181856521 /nfs/dbraw/zinc/85/65/21/181856521.db2.gz GOLPSKYPFAGMFT-UHFFFAOYSA-N 1 2 319.368 3.637 50 0 DHAALO C[C@@H]1c2ccccc2OC(c2ccccc2)=C1C[NH+]1CCOCC1 ZINC000019855214 182157321 /nfs/dbraw/zinc/15/73/21/182157321.db2.gz APVZLLGXOUFZNY-MRXNPFEDSA-N 1 2 321.420 3.926 50 0 DHAALO CCn1c2ccccc2n(CCOc2ccc(Cl)cc2)c1=[NH2+] ZINC000019953569 182169589 /nfs/dbraw/zinc/16/95/89/182169589.db2.gz IGFLWHBQEMTFJQ-UHFFFAOYSA-N 1 2 315.804 3.675 50 0 DHAALO CCn1c2ccccc2n(CCCOc2ccc(F)cc2)c1=[NH2+] ZINC000020069499 182184382 /nfs/dbraw/zinc/18/43/82/182184382.db2.gz ZOUQJVDYGRCMOD-UHFFFAOYSA-N 1 2 313.376 3.550 50 0 DHAALO CCc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038833679 183011369 /nfs/dbraw/zinc/01/13/69/183011369.db2.gz IGUZPTZGMLDQCP-UHFFFAOYSA-N 1 2 305.381 3.746 50 0 DHAALO CCOc1ccccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000040119361 183037797 /nfs/dbraw/zinc/03/77/97/183037797.db2.gz ODBSYQLTEUETJT-UHFFFAOYSA-N 1 2 307.353 3.523 50 0 DHAALO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCc2sccc2C1 ZINC000040485202 183077926 /nfs/dbraw/zinc/07/79/26/183077926.db2.gz NBKULRTYCALXHN-SNVBAGLBSA-N 1 2 317.439 3.979 50 0 DHAALO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCc2sccc2C1 ZINC000040485202 183077929 /nfs/dbraw/zinc/07/79/29/183077929.db2.gz NBKULRTYCALXHN-SNVBAGLBSA-N 1 2 317.439 3.979 50 0 DHAALO Cc1cn2cc(NC(=O)C3(c4ccc(F)cc4)CCC3)ccc2[nH+]1 ZINC000058417800 184115176 /nfs/dbraw/zinc/11/51/76/184115176.db2.gz NAANWBHBQWWACG-UHFFFAOYSA-N 1 2 323.371 3.842 50 0 DHAALO COc1ccccc1NC(=O)c1cc2c(s1)C[N@@H+](C(C)C)C2 ZINC000065238636 184317407 /nfs/dbraw/zinc/31/74/07/184317407.db2.gz RNDWKCJXRZFPDM-UHFFFAOYSA-N 1 2 316.426 3.733 50 0 DHAALO COc1ccccc1NC(=O)c1cc2c(s1)C[N@H+](C(C)C)C2 ZINC000065238636 184317409 /nfs/dbraw/zinc/31/74/09/184317409.db2.gz RNDWKCJXRZFPDM-UHFFFAOYSA-N 1 2 316.426 3.733 50 0 DHAALO Cc1cc(N[C@H](C)Cc2ccccn2)nc(-c2ccccc2)[nH+]1 ZINC000065404231 184337760 /nfs/dbraw/zinc/33/77/60/184337760.db2.gz CYSQVMRGCVGIKN-CQSZACIVSA-N 1 2 304.397 3.890 50 0 DHAALO CCc1noc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)n1 ZINC000065540182 184363411 /nfs/dbraw/zinc/36/34/11/184363411.db2.gz ISYBAAHWXBUZEA-UHFFFAOYSA-N 1 2 313.323 3.676 50 0 DHAALO CC[C@@H](NC(=O)c1ccc2nc(C)sc2c1)c1[nH]cc(C)[nH+]1 ZINC000426571498 257245858 /nfs/dbraw/zinc/24/58/58/257245858.db2.gz MWERNZCRIPCMQH-GFCCVEGCSA-N 1 2 314.414 3.517 50 0 DHAALO c1csc(-c2nc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)co2)c1 ZINC000071810982 184849194 /nfs/dbraw/zinc/84/91/94/184849194.db2.gz FSQVYMGPENJHLL-UONOGXRCSA-N 1 2 304.415 3.547 50 0 DHAALO c1csc(-c2nc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)co2)c1 ZINC000071810982 184849195 /nfs/dbraw/zinc/84/91/95/184849195.db2.gz FSQVYMGPENJHLL-UONOGXRCSA-N 1 2 304.415 3.547 50 0 DHAALO COc1ccc2[nH]cc(C3CCN(c4cc(C)[nH+]cn4)CC3)c2c1 ZINC000301278399 336298383 /nfs/dbraw/zinc/29/83/83/336298383.db2.gz WYHOJTBODMNOFK-UHFFFAOYSA-N 1 2 322.412 3.659 50 0 DHAALO Cc1nnc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)s1 ZINC000541882217 340987163 /nfs/dbraw/zinc/98/71/63/340987163.db2.gz QNVVDWXVWALPQZ-JTQLQIEISA-N 1 2 316.455 3.821 50 0 DHAALO Clc1ccc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)o1 ZINC000216336295 563708782 /nfs/dbraw/zinc/70/87/82/563708782.db2.gz VVWNXSBMDVGITP-CQSZACIVSA-N 1 2 306.793 3.509 50 0 DHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)cn1 ZINC000071797212 563958526 /nfs/dbraw/zinc/95/85/26/563958526.db2.gz SPOUTHROMIIPFC-AWEZNQCLSA-N 1 2 304.463 3.511 50 0 DHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc(C(C)(C)C)n2)cn1 ZINC000071797212 563958527 /nfs/dbraw/zinc/95/85/27/563958527.db2.gz SPOUTHROMIIPFC-AWEZNQCLSA-N 1 2 304.463 3.511 50 0 DHAALO Cc1cccc(C)c1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000000242846 563232716 /nfs/dbraw/zinc/23/27/16/563232716.db2.gz LTFLIVFKVNIORO-QGZVFWFLSA-N 1 2 324.424 3.710 50 0 DHAALO C[C@@H](CC1CCCCC1)C(=O)NCCc1[nH+]ccn1C(F)F ZINC000071907596 563332195 /nfs/dbraw/zinc/33/21/95/563332195.db2.gz XBFJAMISGIXTCO-LBPRGKRZSA-N 1 2 313.392 3.543 50 0 DHAALO CC[C@@H]([NH2+]Cc1nnc(-c2cccs2)o1)c1c(C)noc1C ZINC000097374061 563337860 /nfs/dbraw/zinc/33/78/60/563337860.db2.gz PZDZCJDLJNLOGG-LLVKDONJSA-N 1 2 318.402 3.644 50 0 DHAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015041947 563406230 /nfs/dbraw/zinc/40/62/30/563406230.db2.gz MPUUGDMRCDXGOH-PHIMTYICSA-N 1 2 322.355 3.537 50 0 DHAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015041947 563406233 /nfs/dbraw/zinc/40/62/33/563406233.db2.gz MPUUGDMRCDXGOH-PHIMTYICSA-N 1 2 322.355 3.537 50 0 DHAALO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)o1 ZINC000015296531 563409065 /nfs/dbraw/zinc/40/90/65/563409065.db2.gz JMEXYGMTQYOCIP-MRXNPFEDSA-N 1 2 314.429 3.514 50 0 DHAALO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)o1 ZINC000015296531 563409067 /nfs/dbraw/zinc/40/90/67/563409067.db2.gz JMEXYGMTQYOCIP-MRXNPFEDSA-N 1 2 314.429 3.514 50 0 DHAALO NC(=O)[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000026160691 563425258 /nfs/dbraw/zinc/42/52/58/563425258.db2.gz VYCBZSUYCBEZIO-FQEVSTJZSA-N 1 2 316.404 3.592 50 0 DHAALO NC(=O)[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000026160698 563425285 /nfs/dbraw/zinc/42/52/85/563425285.db2.gz VYCBZSUYCBEZIO-HXUWFJFHSA-N 1 2 316.404 3.592 50 0 DHAALO CCc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000032913007 563443092 /nfs/dbraw/zinc/44/30/92/563443092.db2.gz AWWDVQQRTVRWQB-UHFFFAOYSA-N 1 2 305.381 3.746 50 0 DHAALO CCn1ncnc1C[N@H+](C)[C@@H](CCC(C)C)c1ccccc1 ZINC000055254791 563472614 /nfs/dbraw/zinc/47/26/14/563472614.db2.gz IKDOJXJOLDWWSU-KRWDZBQOSA-N 1 2 300.450 3.907 50 0 DHAALO CCn1ncnc1C[N@@H+](C)[C@@H](CCC(C)C)c1ccccc1 ZINC000055254791 563472615 /nfs/dbraw/zinc/47/26/15/563472615.db2.gz IKDOJXJOLDWWSU-KRWDZBQOSA-N 1 2 300.450 3.907 50 0 DHAALO Fc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1F ZINC000055543081 563476284 /nfs/dbraw/zinc/47/62/84/563476284.db2.gz HSZUOVMIEPDZTI-UHFFFAOYSA-N 1 2 322.786 3.940 50 0 DHAALO Cc1c2cc(C)ccc2[nH]c1C[N@@H+](Cc1nccn1C)C1CC1 ZINC000067560216 563487604 /nfs/dbraw/zinc/48/76/04/563487604.db2.gz MBYUJADQWADDAT-UHFFFAOYSA-N 1 2 308.429 3.683 50 0 DHAALO Cc1c2cc(C)ccc2[nH]c1C[N@H+](Cc1nccn1C)C1CC1 ZINC000067560216 563487610 /nfs/dbraw/zinc/48/76/10/563487610.db2.gz MBYUJADQWADDAT-UHFFFAOYSA-N 1 2 308.429 3.683 50 0 DHAALO Cc1c(CN(Cc2[nH+]ccn2C)C2CC2)[nH]c2ccc(C)cc12 ZINC000067560216 563487612 /nfs/dbraw/zinc/48/76/12/563487612.db2.gz MBYUJADQWADDAT-UHFFFAOYSA-N 1 2 308.429 3.683 50 0 DHAALO Clc1ccccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1cccnc1 ZINC000067587833 563488053 /nfs/dbraw/zinc/48/80/53/563488053.db2.gz MNPVEJGRPPHNHH-GOSISDBHSA-N 1 2 324.815 3.606 50 0 DHAALO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccccn3)nc2c1C ZINC000067908173 563493441 /nfs/dbraw/zinc/49/34/41/563493441.db2.gz SDOADVBZLGSCSX-KRWDZBQOSA-N 1 2 306.413 3.912 50 0 DHAALO Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccccn3)nc2c1C ZINC000067908173 563493447 /nfs/dbraw/zinc/49/34/47/563493447.db2.gz SDOADVBZLGSCSX-KRWDZBQOSA-N 1 2 306.413 3.912 50 0 DHAALO CC(C)C[C@@H](C(N)=O)n1cc[nH+]c1-c1cccc2ccccc21 ZINC000071479571 563500039 /nfs/dbraw/zinc/50/00/39/563500039.db2.gz MKJNHDPGKOVFAX-KRWDZBQOSA-N 1 2 307.397 3.776 50 0 DHAALO Cc1[nH]ncc1C[NH2+]Cc1ccccc1COc1ccccc1 ZINC000097159240 563507360 /nfs/dbraw/zinc/50/73/60/563507360.db2.gz SHSGXVGMAZQHTP-UHFFFAOYSA-N 1 2 307.397 3.587 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000077406429 563509875 /nfs/dbraw/zinc/50/98/75/563509875.db2.gz BWJORGHJOLPESC-INIZCTEOSA-N 1 2 324.384 3.679 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000077406429 563509878 /nfs/dbraw/zinc/50/98/78/563509878.db2.gz BWJORGHJOLPESC-INIZCTEOSA-N 1 2 324.384 3.679 50 0 DHAALO Nc1ncccc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000077517041 563511834 /nfs/dbraw/zinc/51/18/34/563511834.db2.gz DWQWLLRNLYGVAN-CQSZACIVSA-N 1 2 310.426 3.611 50 0 DHAALO Nc1ncccc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000077517041 563511837 /nfs/dbraw/zinc/51/18/37/563511837.db2.gz DWQWLLRNLYGVAN-CQSZACIVSA-N 1 2 310.426 3.611 50 0 DHAALO c1csc([C@@H]2C[N@H+](Cc3csc4ccccc34)CCO2)n1 ZINC000097200034 563519257 /nfs/dbraw/zinc/51/92/57/563519257.db2.gz KIFOHADGZUWJFU-AWEZNQCLSA-N 1 2 316.451 3.931 50 0 DHAALO c1csc([C@@H]2C[N@@H+](Cc3csc4ccccc34)CCO2)n1 ZINC000097200034 563519259 /nfs/dbraw/zinc/51/92/59/563519259.db2.gz KIFOHADGZUWJFU-AWEZNQCLSA-N 1 2 316.451 3.931 50 0 DHAALO Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)nc1 ZINC000095352441 563529143 /nfs/dbraw/zinc/52/91/43/563529143.db2.gz FMVGRUOMUJIFKU-QGZVFWFLSA-N 1 2 310.445 3.771 50 0 DHAALO COc1cccc(-c2c[nH]c(C)[nH+]2)c1C(=O)N(C(C)C)C(C)C ZINC000096152107 563534921 /nfs/dbraw/zinc/53/49/21/563534921.db2.gz FKSYEFJFJYBPSX-UHFFFAOYSA-N 1 2 315.417 3.653 50 0 DHAALO CC(C)n1c[nH+]cc1CN(C)Cc1nc2ccccc2s1 ZINC000097604200 563540393 /nfs/dbraw/zinc/54/03/93/563540393.db2.gz QFZAYFDOQNNPLK-UHFFFAOYSA-N 1 2 300.431 3.706 50 0 DHAALO Cc1ccccc1C1(NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000215862568 563707287 /nfs/dbraw/zinc/70/72/87/563707287.db2.gz GIFFSVKIQHZOKQ-UHFFFAOYSA-N 1 2 317.392 3.804 50 0 DHAALO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(C)on2)cn1 ZINC000216242526 563708241 /nfs/dbraw/zinc/70/82/41/563708241.db2.gz XWRHATSDLNCLKS-INIZCTEOSA-N 1 2 301.390 3.504 50 0 DHAALO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc(C)on2)cn1 ZINC000216242526 563708244 /nfs/dbraw/zinc/70/82/44/563708244.db2.gz XWRHATSDLNCLKS-INIZCTEOSA-N 1 2 301.390 3.504 50 0 DHAALO Clc1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)o1 ZINC000216336295 563708779 /nfs/dbraw/zinc/70/87/79/563708779.db2.gz VVWNXSBMDVGITP-CQSZACIVSA-N 1 2 306.793 3.509 50 0 DHAALO Cc1[nH]c2ccc(NC(=O)CCCCCn3cccc3)cc2[nH+]1 ZINC000604419388 563719321 /nfs/dbraw/zinc/71/93/21/563719321.db2.gz HRVULHUNRSXLBX-UHFFFAOYSA-N 1 2 310.401 3.872 50 0 DHAALO CCCCc1[nH+]c2ccccc2n1CC(=O)NC1CCCCC1 ZINC000012520504 563797322 /nfs/dbraw/zinc/79/73/22/563797322.db2.gz HNAAZVVGNOZZQD-UHFFFAOYSA-N 1 2 313.445 3.828 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000012520508 563797838 /nfs/dbraw/zinc/79/78/38/563797838.db2.gz DJGDOPNPUDPKAZ-UHFFFAOYSA-N 1 2 313.788 3.891 50 0 DHAALO Oc1ccccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000012537790 563799085 /nfs/dbraw/zinc/79/90/85/563799085.db2.gz NTAIKKDEVSFHOE-UHFFFAOYSA-N 1 2 320.795 3.507 50 0 DHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)NC1CCCCCC1 ZINC000012547280 563800269 /nfs/dbraw/zinc/80/02/69/563800269.db2.gz VBSLGLOSBUNVKB-ZDUSSCGKSA-N 1 2 317.458 3.654 50 0 DHAALO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nnc(C)s2)c1 ZINC000299761777 563804925 /nfs/dbraw/zinc/80/49/25/563804925.db2.gz AFYXRSVXKSLGMI-OAHLLOKOSA-N 1 2 303.431 3.582 50 0 DHAALO COc1cccc([C@H]2CCCC[N@H+]2Cc2nnc(C)s2)c1 ZINC000299761777 563804927 /nfs/dbraw/zinc/80/49/27/563804927.db2.gz AFYXRSVXKSLGMI-OAHLLOKOSA-N 1 2 303.431 3.582 50 0 DHAALO CCOc1ccc(C[NH2+]C(C)(C)c2noc(C(C)(C)C)n2)cc1 ZINC000078555845 563808347 /nfs/dbraw/zinc/80/83/47/563808347.db2.gz IRRCZBGILRPTBW-UHFFFAOYSA-N 1 2 317.433 3.791 50 0 DHAALO COc1ccc(/C=C2/CCC[NH+]=C2c2cccnc2)c(OC)c1 ZINC000033953843 563840098 /nfs/dbraw/zinc/84/00/98/563840098.db2.gz RPYWXZCFYPVCNQ-PTNGSMBKSA-N 1 2 308.381 3.765 50 0 investigational DHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1 ZINC000012932326 563856058 /nfs/dbraw/zinc/85/60/58/563856058.db2.gz CTBPLHSRZDLEPP-UHFFFAOYSA-N 1 2 319.405 3.520 50 0 DHAALO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccccn1 ZINC000035694817 563878152 /nfs/dbraw/zinc/87/81/52/563878152.db2.gz BSBQXXRXULOJQO-SNVBAGLBSA-N 1 2 309.182 3.834 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000252495217 563916214 /nfs/dbraw/zinc/91/62/14/563916214.db2.gz ONVPGRSHYKLFHP-UHFFFAOYSA-N 1 2 317.339 3.865 50 0 DHAALO Cc1cccc(N2CC[N@@H+](Cc3ccccc3C)[C@H](C)C2=O)c1C ZINC000037520420 563918272 /nfs/dbraw/zinc/91/82/72/563918272.db2.gz SBQSGTZTVXUIQZ-GOSISDBHSA-N 1 2 322.452 3.849 50 0 DHAALO Cc1cccc(N2CC[N@H+](Cc3ccccc3C)[C@H](C)C2=O)c1C ZINC000037520420 563918273 /nfs/dbraw/zinc/91/82/73/563918273.db2.gz SBQSGTZTVXUIQZ-GOSISDBHSA-N 1 2 322.452 3.849 50 0 DHAALO CCn1cc[nH+]c1CNc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000079073339 563930320 /nfs/dbraw/zinc/93/03/20/563930320.db2.gz FONPMWVTHXCRBB-UHFFFAOYSA-N 1 2 323.444 3.998 50 0 DHAALO Cc1cccc(NC(=O)CCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000096102088 563935301 /nfs/dbraw/zinc/93/53/01/563935301.db2.gz QAWGAMMOMAOEIR-UHFFFAOYSA-N 1 2 323.440 3.870 50 0 DHAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000055696686 563938810 /nfs/dbraw/zinc/93/88/10/563938810.db2.gz IPCASHYLCAUAEY-UHFFFAOYSA-N 1 2 317.348 3.549 50 0 DHAALO CC[C@H](NC(=O)c1ccc2sc(C)nc2c1)c1[nH]cc(C)[nH+]1 ZINC000670453946 563944741 /nfs/dbraw/zinc/94/47/41/563944741.db2.gz IBBKTDIRAXBSGA-LBPRGKRZSA-N 1 2 314.414 3.517 50 0 DHAALO Cc1ccc(-c2nc(CSc3nc(N)cc(C)[nH+]3)cs2)o1 ZINC000032328225 563945588 /nfs/dbraw/zinc/94/55/88/563945588.db2.gz YZNLRBMLIJIIDD-UHFFFAOYSA-N 1 2 318.427 3.684 50 0 DHAALO Cc1ccc(F)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066962570 563948322 /nfs/dbraw/zinc/94/83/22/563948322.db2.gz PAGQHTHQULTPIZ-UHFFFAOYSA-N 1 2 324.359 3.642 50 0 DHAALO Cc1ccc(NC(=O)COc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000008410540 563948650 /nfs/dbraw/zinc/94/86/50/563948650.db2.gz VNHUKRRUXWXCGT-UHFFFAOYSA-N 1 2 321.380 3.507 50 0 DHAALO CC(C)c1nc2c(n1C)CC[N@H+](Cc1cccc3cccnc31)C2 ZINC000069621900 563954023 /nfs/dbraw/zinc/95/40/23/563954023.db2.gz XAJFGLPUOTWOBA-UHFFFAOYSA-N 1 2 320.440 3.650 50 0 DHAALO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000069621900 563954024 /nfs/dbraw/zinc/95/40/24/563954024.db2.gz XAJFGLPUOTWOBA-UHFFFAOYSA-N 1 2 320.440 3.650 50 0 DHAALO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cccc3cccnc31)C2 ZINC000069621900 563954025 /nfs/dbraw/zinc/95/40/25/563954025.db2.gz XAJFGLPUOTWOBA-UHFFFAOYSA-N 1 2 320.440 3.650 50 0 DHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccccc3)n2)cn1 ZINC000069740435 563954324 /nfs/dbraw/zinc/95/43/24/563954324.db2.gz XAHUAMLQZNBALL-QGZVFWFLSA-N 1 2 324.453 3.881 50 0 DHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2csc(-c3ccccc3)n2)cn1 ZINC000069740435 563954325 /nfs/dbraw/zinc/95/43/25/563954325.db2.gz XAHUAMLQZNBALL-QGZVFWFLSA-N 1 2 324.453 3.881 50 0 DHAALO Cc1cc(C(C)(C)C)ccc1OCCOCCn1cc[nH+]c1 ZINC000003462301 1012881890 /nfs/dbraw/zinc/88/18/90/1012881890.db2.gz FTKKNARXFTVZOX-UHFFFAOYSA-N 1 2 302.418 3.585 50 0 DHAALO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nnc(C)s3)oc21 ZINC000356856674 1020530394 /nfs/dbraw/zinc/53/03/94/1020530394.db2.gz WSRLMLGUBMIJQC-JTQLQIEISA-N 1 2 317.414 3.842 50 0 DHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000581807258 1021850065 /nfs/dbraw/zinc/85/00/65/1021850065.db2.gz GZMFCBBEOKWFTC-SFHVURJKSA-N 1 2 321.424 3.598 50 0 DHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)Nc3ccccc3)C2)n1C(C)C ZINC000581815651 1021851317 /nfs/dbraw/zinc/85/13/17/1021851317.db2.gz FEVVJMBNOLCPON-HNNXBMFYSA-N 1 2 312.417 3.794 50 0 DHAALO Cc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)c1C ZINC000007878253 1022842052 /nfs/dbraw/zinc/84/20/52/1022842052.db2.gz LMZCBIBDFWDLTM-CQSZACIVSA-N 1 2 314.454 3.923 50 0 DHAALO Cc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)c1C ZINC000007878253 1022842062 /nfs/dbraw/zinc/84/20/62/1022842062.db2.gz LMZCBIBDFWDLTM-CQSZACIVSA-N 1 2 314.454 3.923 50 0 DHAALO COc1ccccc1CC(=O)Nc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC000095472977 185372821 /nfs/dbraw/zinc/37/28/21/185372821.db2.gz OATFDGLSKWZAQG-UHFFFAOYSA-N 1 2 321.380 3.630 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCNc1nc2cc(C)ccc2o1 ZINC000078813347 185113432 /nfs/dbraw/zinc/11/34/32/185113432.db2.gz FBXBZPPRCSMDHY-UHFFFAOYSA-N 1 2 306.369 3.906 50 0 DHAALO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000079029283 185147646 /nfs/dbraw/zinc/14/76/46/185147646.db2.gz HVEHRUDLMBJCHR-UHFFFAOYSA-N 1 2 323.226 3.559 50 0 DHAALO CN(C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000096840964 185389307 /nfs/dbraw/zinc/38/93/07/185389307.db2.gz DPZYXXHMEHSHJW-XFXZXTDPSA-N 1 2 303.365 3.549 50 0 DHAALO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000090227312 185287535 /nfs/dbraw/zinc/28/75/35/185287535.db2.gz YLAKEFZLIBJFOP-BIMULSAOSA-N 1 2 320.487 3.698 50 0 DHAALO O=C(Nc1cccc(-c2c[nH+]c3n2CCC3)c1)[C@@H]1CC=CCC1 ZINC000090607223 185306301 /nfs/dbraw/zinc/30/63/01/185306301.db2.gz POYMGYQWAWSGQG-CQSZACIVSA-N 1 2 307.397 3.791 50 0 DHAALO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cn1 ZINC000092738929 185337790 /nfs/dbraw/zinc/33/77/90/185337790.db2.gz SIXDKNCJHPEEEN-ZDUSSCGKSA-N 1 2 315.392 3.788 50 0 DHAALO c1nc(CNc2cccc(-c3cn4c([nH+]3)CCCC4)c2)cs1 ZINC000095428795 185362326 /nfs/dbraw/zinc/36/23/26/185362326.db2.gz FRMMYSAQOYYCBF-UHFFFAOYSA-N 1 2 310.426 3.955 50 0 DHAALO C[C@H]1CCN(C(=O)CCCSC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000095436203 185364813 /nfs/dbraw/zinc/36/48/13/185364813.db2.gz CKIQXHIHUYRKBJ-GJZGRUSLSA-N 1 2 323.506 3.605 50 0 DHAALO Clc1ccccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1cccnc1 ZINC000067587835 190711202 /nfs/dbraw/zinc/71/12/02/190711202.db2.gz MNPVEJGRPPHNHH-SFHVURJKSA-N 1 2 324.815 3.606 50 0 DHAALO Cc1cccnc1C[C@H](C)n1cc[nH+]c1-c1ccc2c(c1)OCO2 ZINC000071765079 191027687 /nfs/dbraw/zinc/02/76/87/191027687.db2.gz PAPDZYVROAVCLC-AWEZNQCLSA-N 1 2 321.380 3.786 50 0 DHAALO O=C(c1cccc(-c2ccco2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072425499 191159803 /nfs/dbraw/zinc/15/98/03/191159803.db2.gz FQLILOLXYARYGK-UHFFFAOYSA-N 1 2 321.380 3.690 50 0 DHAALO Cc1ccc(-c2cn3c4ccccc4[nH+]c3n2CCCO)cc1 ZINC000004785554 181151758 /nfs/dbraw/zinc/15/17/58/181151758.db2.gz RREZWESMYYHPDY-UHFFFAOYSA-N 1 2 305.381 3.647 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000005268694 181225148 /nfs/dbraw/zinc/22/51/48/181225148.db2.gz RAHVBTCEQXLNSC-UHFFFAOYSA-N 1 2 319.408 3.726 50 0 DHAALO O=C(Nc1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000006103464 181312446 /nfs/dbraw/zinc/31/24/46/181312446.db2.gz NGMMORSXNOMQCE-YFHOEESVSA-N 1 2 321.424 3.550 50 0 DHAALO Clc1cc(Br)ccc1OCCCn1cc[nH+]c1 ZINC000006414091 181339352 /nfs/dbraw/zinc/33/93/52/181339352.db2.gz AHRIUVXVJYPBNU-UHFFFAOYSA-N 1 2 315.598 3.768 50 0 DHAALO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000006508182 181347571 /nfs/dbraw/zinc/34/75/71/181347571.db2.gz UGDPFDLLUPYEHU-SFHVURJKSA-N 1 2 324.355 3.888 50 0 DHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000091769878 193105297 /nfs/dbraw/zinc/10/52/97/193105297.db2.gz DIJRHAPTRQFOFT-HNNXBMFYSA-N 1 2 312.417 3.623 50 0 DHAALO CC(C)=CCC[C@@]1(C)CCC(=O)N(CCCn2cc[nH+]c2)C1 ZINC000092021107 193142971 /nfs/dbraw/zinc/14/29/71/193142971.db2.gz MLYRADOSXUCNER-SFHVURJKSA-N 1 2 303.450 3.648 50 0 DHAALO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC000096433288 193641148 /nfs/dbraw/zinc/64/11/48/193641148.db2.gz PPBJXTHUINBKFI-LZWOXQAQSA-N 1 2 315.417 3.599 50 0 DHAALO CC(C)C(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863648 182022271 /nfs/dbraw/zinc/02/22/71/182022271.db2.gz VZQOLMGBYYGVHL-UHFFFAOYSA-N 1 2 307.397 3.943 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc(C)c1C ZINC000015860731 182022709 /nfs/dbraw/zinc/02/27/09/182022709.db2.gz BINQCUMCRPUQFK-INIZCTEOSA-N 1 2 324.424 3.655 50 0 DHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000016420645 182043805 /nfs/dbraw/zinc/04/38/05/182043805.db2.gz HCCLLOMHESGBEP-AWEZNQCLSA-N 1 2 318.486 3.674 50 0 DHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000016420645 182043806 /nfs/dbraw/zinc/04/38/06/182043806.db2.gz HCCLLOMHESGBEP-AWEZNQCLSA-N 1 2 318.486 3.674 50 0 DHAALO CCOc1ccc(C[NH+]2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000019842279 182155810 /nfs/dbraw/zinc/15/58/10/182155810.db2.gz VZWXKKBKGKGTCJ-UHFFFAOYSA-N 1 2 324.468 3.712 50 0 DHAALO Fc1ccccc1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000019782021 182148517 /nfs/dbraw/zinc/14/85/17/182148517.db2.gz IWKNQGASNRXMQF-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO Fc1ccccc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019782021 182148518 /nfs/dbraw/zinc/14/85/18/182148518.db2.gz IWKNQGASNRXMQF-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO Cc1cccc(C[N@@H+]2CCO[C@H](CCCc3ccccc3)C2)n1 ZINC000023337387 182357053 /nfs/dbraw/zinc/35/70/53/182357053.db2.gz IRFKEDWCSZLEKZ-HXUWFJFHSA-N 1 2 310.441 3.614 50 0 DHAALO Cc1cccc(C[N@H+]2CCO[C@H](CCCc3ccccc3)C2)n1 ZINC000023337387 182357056 /nfs/dbraw/zinc/35/70/56/182357056.db2.gz IRFKEDWCSZLEKZ-HXUWFJFHSA-N 1 2 310.441 3.614 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000192288768 335028817 /nfs/dbraw/zinc/02/88/17/335028817.db2.gz XJQJSUMAWVXROE-UHFFFAOYSA-N 1 2 313.405 3.880 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(C)cc1C ZINC000032951076 182684492 /nfs/dbraw/zinc/68/44/92/182684492.db2.gz PBMXMGOBQCBEGC-UHFFFAOYSA-N 1 2 322.412 3.783 50 0 DHAALO COc1ccc(CC(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)cc1 ZINC000040267323 183049706 /nfs/dbraw/zinc/04/97/06/183049706.db2.gz FZGJQKWPRFXHGH-UHFFFAOYSA-N 1 2 323.396 3.876 50 0 DHAALO S=C(Nc1ccccc1)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000057453781 184039064 /nfs/dbraw/zinc/03/90/64/184039064.db2.gz PUBZXXACFPSKDF-VAWYXSNFSA-N 1 2 323.465 3.672 50 0 DHAALO O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000058012573 184066527 /nfs/dbraw/zinc/06/65/27/184066527.db2.gz KJMKCPAAVZBCQF-QGZVFWFLSA-N 1 2 320.864 3.926 50 0 DHAALO Cc1cc(C)cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000058168627 184084125 /nfs/dbraw/zinc/08/41/25/184084125.db2.gz AJNIGGIYDCWGCV-UHFFFAOYSA-N 1 2 320.396 3.811 50 0 DHAALO CCC[C@@H](Nc1cc(C)nc(-c2cccnc2)n1)c1[nH+]ccn1C ZINC000065381612 184331900 /nfs/dbraw/zinc/33/19/00/184331900.db2.gz KURLFGMNQMRRBA-OAHLLOKOSA-N 1 2 322.416 3.534 50 0 DHAALO CCn1c2ccccc2[nH+]c1CCNc1nc2ccccc2o1 ZINC000065947379 184383335 /nfs/dbraw/zinc/38/33/35/184383335.db2.gz MQGOLPRMLTUXQA-UHFFFAOYSA-N 1 2 306.369 3.852 50 0 DHAALO COCC1(N(C)C(=O)c2cccc(-c3cc(C)[nH+]c(C)c3)c2)CC1 ZINC000426658459 257244747 /nfs/dbraw/zinc/24/47/47/257244747.db2.gz QGKLSXDBPZQPQS-UHFFFAOYSA-N 1 2 324.424 3.616 50 0 DHAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(Cl)c1F ZINC000132215840 196236071 /nfs/dbraw/zinc/23/60/71/196236071.db2.gz CUVZABRRFQMFSI-UHFFFAOYSA-N 1 2 315.735 3.917 50 0 DHAALO Nc1cc(CSc2ncc(-c3ccc(F)cc3)o2)cc[nH+]1 ZINC000193080609 337383595 /nfs/dbraw/zinc/38/35/95/337383595.db2.gz CWVGULJHOBPHGX-UHFFFAOYSA-N 1 2 301.346 3.750 50 0 DHAALO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)cs1 ZINC000328588893 534573360 /nfs/dbraw/zinc/57/33/60/534573360.db2.gz YHQUNGDGHFRKID-HNNXBMFYSA-N 1 2 314.414 3.772 50 0 DHAALO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)cs1 ZINC000328588893 534573370 /nfs/dbraw/zinc/57/33/70/534573370.db2.gz YHQUNGDGHFRKID-HNNXBMFYSA-N 1 2 314.414 3.772 50 0 DHAALO CC(C)c1nn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=S)[nH]1 ZINC000014158587 563910292 /nfs/dbraw/zinc/91/02/92/563910292.db2.gz NBTBTWQKWAMTQI-CQSZACIVSA-N 1 2 302.447 3.859 50 0 DHAALO CC(C)c1nn(C[N@H+]2CCC[C@@H]2c2ccccc2)c(=S)[nH]1 ZINC000014158587 563910293 /nfs/dbraw/zinc/91/02/93/563910293.db2.gz NBTBTWQKWAMTQI-CQSZACIVSA-N 1 2 302.447 3.859 50 0 DHAALO Cc1cc(C)c(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000000377855 563247793 /nfs/dbraw/zinc/24/77/93/563247793.db2.gz HAYMKWVUYUICDR-UHFFFAOYSA-N 1 2 310.184 3.848 50 0 DHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3NCc2ccccc2)c1 ZINC000000552524 563265856 /nfs/dbraw/zinc/26/58/56/563265856.db2.gz CWFXOHOYOFDPNY-UHFFFAOYSA-N 1 2 315.380 3.736 50 0 DHAALO C[C@H]1CC[C@H](C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000584902327 563297960 /nfs/dbraw/zinc/29/79/60/563297960.db2.gz XTRBUWGUPGRNJR-SZMVWBNQSA-N 1 2 311.429 3.567 50 0 DHAALO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1nc(-c2cccs2)no1 ZINC000097370702 563336577 /nfs/dbraw/zinc/33/65/77/563336577.db2.gz 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Cc1ccc(-c2nn(C[N@H+](CC(C)C)C3CC3)c(=S)[nH]2)cc1 ZINC000026625605 563426095 /nfs/dbraw/zinc/42/60/95/563426095.db2.gz VWQQBZNZQXNRLD-UHFFFAOYSA-N 1 2 316.474 3.994 50 0 DHAALO O=C(NC1CCCCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030944116 563440002 /nfs/dbraw/zinc/44/00/02/563440002.db2.gz DJPAHVPZRRQMCZ-UHFFFAOYSA-N 1 2 311.429 3.774 50 0 DHAALO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000044934280 563464217 /nfs/dbraw/zinc/46/42/17/563464217.db2.gz CIEAOCANXSOWMR-CQSZACIVSA-N 1 2 323.371 3.562 50 0 DHAALO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044913169 563464366 /nfs/dbraw/zinc/46/43/66/563464366.db2.gz YEXCJNOWQQUQOZ-HNNXBMFYSA-N 1 2 317.392 3.523 50 0 DHAALO COc1ccccc1C[N@H+](Cc1nc2ccccc2n1C)C1CC1 ZINC000055119471 563471778 /nfs/dbraw/zinc/47/17/78/563471778.db2.gz MLOVMMVMDSHNPH-UHFFFAOYSA-N 1 2 321.424 3.747 50 0 DHAALO COc1ccccc1C[N@@H+](Cc1nc2ccccc2n1C)C1CC1 ZINC000055119471 563471781 /nfs/dbraw/zinc/47/17/81/563471781.db2.gz MLOVMMVMDSHNPH-UHFFFAOYSA-N 1 2 321.424 3.747 50 0 DHAALO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2F)o1)c1nnc[nH]1 ZINC000055211281 563472657 /nfs/dbraw/zinc/47/26/57/563472657.db2.gz YROJMIXGPQFQLK-VIFPVBQESA-N 1 2 320.755 3.708 50 0 DHAALO CCCCc1[nH]c(CN(Cc2ccccc2OC)C2CC2)c[nH+]1 ZINC000055341928 563474271 /nfs/dbraw/zinc/47/42/71/563474271.db2.gz NHHKALOZEMTOCB-UHFFFAOYSA-N 1 2 313.445 3.926 50 0 DHAALO CCCCc1[nH]cc(CN(Cc2ccccc2OC)C2CC2)[nH+]1 ZINC000055341928 563474272 /nfs/dbraw/zinc/47/42/72/563474272.db2.gz NHHKALOZEMTOCB-UHFFFAOYSA-N 1 2 313.445 3.926 50 0 DHAALO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(Cl)ccc1F ZINC000096433806 563482421 /nfs/dbraw/zinc/48/24/21/563482421.db2.gz FEXDQNCYKQWGGW-UHFFFAOYSA-N 1 2 324.787 3.653 50 0 DHAALO CC(C)c1csc(-c2nccn2Cc2cn3ccccc3[nH+]2)n1 ZINC000067472728 563487702 /nfs/dbraw/zinc/48/77/02/563487702.db2.gz LHZSXOHKRFWIQD-UHFFFAOYSA-N 1 2 323.425 3.826 50 0 DHAALO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)sc1-c1ccccc1 ZINC000067854874 563492194 /nfs/dbraw/zinc/49/21/94/563492194.db2.gz 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ZINC000007782755 563641143 /nfs/dbraw/zinc/64/11/43/563641143.db2.gz PTZHCSJNOPQFFH-UHFFFAOYSA-N 1 2 314.816 3.645 50 0 DHAALO Cc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000007782755 563641145 /nfs/dbraw/zinc/64/11/45/563641145.db2.gz PTZHCSJNOPQFFH-UHFFFAOYSA-N 1 2 314.816 3.645 50 0 DHAALO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)n1cc[nH+]c1 ZINC000047918632 563692330 /nfs/dbraw/zinc/69/23/30/563692330.db2.gz JBADFLUPLGUJKU-OAHLLOKOSA-N 1 2 305.381 3.674 50 0 DHAALO C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1cc[nH+]c1 ZINC000048333353 563696571 /nfs/dbraw/zinc/69/65/71/563696571.db2.gz KJGZGQWPECOTKO-WFASDCNBSA-N 1 2 303.431 3.553 50 0 DHAALO Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)o2)cc1 ZINC000048355847 563697604 /nfs/dbraw/zinc/69/76/04/563697604.db2.gz RADAGCLNQCVRFV-INIZCTEOSA-N 1 2 308.385 3.710 50 0 DHAALO Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)o2)cc1 ZINC000048355847 563697608 /nfs/dbraw/zinc/69/76/08/563697608.db2.gz RADAGCLNQCVRFV-INIZCTEOSA-N 1 2 308.385 3.710 50 0 DHAALO COCC[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000048355918 563697634 /nfs/dbraw/zinc/69/76/34/563697634.db2.gz RNHCXUQULBSYRB-UHFFFAOYSA-N 1 2 312.369 3.583 50 0 DHAALO COCC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000048355918 563697637 /nfs/dbraw/zinc/69/76/37/563697637.db2.gz RNHCXUQULBSYRB-UHFFFAOYSA-N 1 2 312.369 3.583 50 0 DHAALO c1csc([C@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)c2)n1 ZINC000216315638 563708895 /nfs/dbraw/zinc/70/88/95/563708895.db2.gz HGJPOKNAEKOCHU-MRXNPFEDSA-N 1 2 310.426 3.666 50 0 DHAALO c1csc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)n1 ZINC000216315638 563708898 /nfs/dbraw/zinc/70/88/98/563708898.db2.gz HGJPOKNAEKOCHU-MRXNPFEDSA-N 1 2 310.426 3.666 50 0 DHAALO Cc1nnsc1C[N@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000219669076 563721394 /nfs/dbraw/zinc/72/13/94/563721394.db2.gz DYEAWWDMYHGXRT-CYBMUJFWSA-N 1 2 323.487 3.782 50 0 DHAALO Cc1nnsc1C[N@@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000219669076 563721398 /nfs/dbraw/zinc/72/13/98/563721398.db2.gz DYEAWWDMYHGXRT-CYBMUJFWSA-N 1 2 323.487 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563885687 /nfs/dbraw/zinc/88/56/87/563885687.db2.gz JDCDXVFDAASOFB-UHFFFAOYSA-N 1 2 315.373 3.868 50 0 DHAALO Cc1ccccc1C(=O)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181095 563900694 /nfs/dbraw/zinc/90/06/94/563900694.db2.gz RLGDBSYQIHNFGJ-UHFFFAOYSA-N 1 2 324.424 3.711 50 0 DHAALO CCc1ccccc1N1CC[N@H+](Cc2cccc(C)c2)[C@H](C)C1=O ZINC000037275588 563908160 /nfs/dbraw/zinc/90/81/60/563908160.db2.gz VYSBJOSYFZSZQF-QGZVFWFLSA-N 1 2 322.452 3.795 50 0 DHAALO CCc1ccccc1N1CC[N@@H+](Cc2cccc(C)c2)[C@H](C)C1=O ZINC000037275588 563908162 /nfs/dbraw/zinc/90/81/62/563908162.db2.gz VYSBJOSYFZSZQF-QGZVFWFLSA-N 1 2 322.452 3.795 50 0 DHAALO Cc1cccc(C[N@H+](Cc2ccccn2)Cc2cnc(C)cn2)c1 ZINC000089669482 563910838 /nfs/dbraw/zinc/91/08/38/563910838.db2.gz VTMNXVWMOWOCSV-UHFFFAOYSA-N 1 2 318.424 3.691 50 0 DHAALO Cc1cccc(C[N@@H+](Cc2ccccn2)Cc2cnc(C)cn2)c1 ZINC000089669482 563910839 /nfs/dbraw/zinc/91/08/39/563910839.db2.gz VTMNXVWMOWOCSV-UHFFFAOYSA-N 1 2 318.424 3.691 50 0 DHAALO Cc1ccc2oc(C[NH2+][C@H](C)c3nnc4n3CCCC4)cc2c1 ZINC000089657569 563910841 /nfs/dbraw/zinc/91/08/41/563910841.db2.gz HVIMAAPXWBLEDG-CYBMUJFWSA-N 1 2 310.401 3.520 50 0 DHAALO C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1cccc(F)c1 ZINC000013072782 563929336 /nfs/dbraw/zinc/92/93/36/563929336.db2.gz HWQMCXOFJBDYSS-UHFFFAOYSA-N 1 2 324.758 3.689 50 0 DHAALO C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1cccc(F)c1 ZINC000013072782 563929337 /nfs/dbraw/zinc/92/93/37/563929337.db2.gz HWQMCXOFJBDYSS-UHFFFAOYSA-N 1 2 324.758 3.689 50 0 DHAALO O[C@@H]1CCCC[C@H]1Oc1ccc([NH2+]C2CCSCC2)cc1 ZINC000095964701 563932752 /nfs/dbraw/zinc/93/27/52/563932752.db2.gz XPZSHSSXYMNETI-IAGOWNOFSA-N 1 2 307.459 3.676 50 0 DHAALO Cc1ccccc1NC(=O)CCc1cc[nH+]c(N2CCCC2)c1 ZINC000096102076 563935320 /nfs/dbraw/zinc/93/53/20/563935320.db2.gz JBRWVDSAZSZQFW-UHFFFAOYSA-N 1 2 309.413 3.562 50 0 DHAALO CCc1ccc(C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000008710181 563949910 /nfs/dbraw/zinc/94/99/10/563949910.db2.gz JQHZIRIYFQUWCK-GOSISDBHSA-N 1 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3.824 50 0 DHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000015880119 182023994 /nfs/dbraw/zinc/02/39/94/182023994.db2.gz WNVHRYSVVQWEGL-UHFFFAOYSA-N 1 2 323.421 3.537 50 0 DHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000015880119 182023995 /nfs/dbraw/zinc/02/39/95/182023995.db2.gz WNVHRYSVVQWEGL-UHFFFAOYSA-N 1 2 323.421 3.537 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000016903682 182063595 /nfs/dbraw/zinc/06/35/95/182063595.db2.gz WEUAACGHUVSDCD-MRXNPFEDSA-N 1 2 324.424 3.655 50 0 DHAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019721066 182138254 /nfs/dbraw/zinc/13/82/54/182138254.db2.gz HALDWHRYVQODIK-TXEJJXNPSA-N 1 2 320.820 3.913 50 0 DHAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019721066 182138256 /nfs/dbraw/zinc/13/82/56/182138256.db2.gz HALDWHRYVQODIK-TXEJJXNPSA-N 1 2 320.820 3.913 50 0 DHAALO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCOc2ccccc2C1 ZINC000019740201 182141376 /nfs/dbraw/zinc/14/13/76/182141376.db2.gz YYFHXNKUMOFLNN-UHFFFAOYSA-N 1 2 310.353 3.638 50 0 DHAALO Cc1oc(-c2ccoc2)nc1C[N@H+]1CCOc2ccccc2C1 ZINC000019740201 182141377 /nfs/dbraw/zinc/14/13/77/182141377.db2.gz YYFHXNKUMOFLNN-UHFFFAOYSA-N 1 2 310.353 3.638 50 0 DHAALO CCSc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000020394051 182214303 /nfs/dbraw/zinc/21/43/03/182214303.db2.gz MNNOFWLPMVDLBZ-UHFFFAOYSA-N 1 2 311.501 3.513 50 0 DHAALO CCSc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000020394051 182214305 /nfs/dbraw/zinc/21/43/05/182214305.db2.gz MNNOFWLPMVDLBZ-UHFFFAOYSA-N 1 2 311.501 3.513 50 0 DHAALO Cc1cccc(-c2nc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cs2)c1 ZINC000020417579 182215689 /nfs/dbraw/zinc/21/56/89/182215689.db2.gz QXFXTTXEZXRDNW-KBPBESRZSA-N 1 2 302.443 3.728 50 0 DHAALO CC(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)on1 ZINC000024232397 182377552 /nfs/dbraw/zinc/37/75/52/182377552.db2.gz BILIQGANQGMWFA-CYBMUJFWSA-N 1 2 319.430 3.635 50 0 DHAALO CC(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)on1 ZINC000024232397 182377554 /nfs/dbraw/zinc/37/75/54/182377554.db2.gz BILIQGANQGMWFA-CYBMUJFWSA-N 1 2 319.430 3.635 50 0 DHAALO CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C ZINC000024013005 182372359 /nfs/dbraw/zinc/37/23/59/182372359.db2.gz CJUSROLDXWEYGV-NSHDSACASA-N 1 2 315.808 3.988 50 0 DHAALO COc1ccccc1C(=O)Nc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000040284415 183050685 /nfs/dbraw/zinc/05/06/85/183050685.db2.gz FPMMTOCSYSZXFI-UHFFFAOYSA-N 1 2 309.369 3.947 50 0 DHAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCc2sccc2C1 ZINC000040485199 183077603 /nfs/dbraw/zinc/07/76/03/183077603.db2.gz NBKULRTYCALXHN-JTQLQIEISA-N 1 2 317.439 3.979 50 0 DHAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCc2sccc2C1 ZINC000040485199 183077606 /nfs/dbraw/zinc/07/76/06/183077606.db2.gz NBKULRTYCALXHN-JTQLQIEISA-N 1 2 317.439 3.979 50 0 DHAALO Cc1cccc(C(=O)Nc2cccc(OCCn3cc[nH+]c3)c2)c1 ZINC000042707055 183299838 /nfs/dbraw/zinc/29/98/38/183299838.db2.gz SHMMBWSHMKRTJY-UHFFFAOYSA-N 1 2 321.380 3.523 50 0 DHAALO O=C1C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2N1 ZINC000053995166 183919440 /nfs/dbraw/zinc/91/94/40/183919440.db2.gz OHKBVRBTRGJEMT-OAHLLOKOSA-N 1 2 317.186 3.730 50 0 DHAALO COc1cc2[nH+]c(-c3ccccc3)c(NC3CCCC3)n2cn1 ZINC000065321075 184324848 /nfs/dbraw/zinc/32/48/48/184324848.db2.gz IGNMHLTZWPSFSY-UHFFFAOYSA-N 1 2 308.385 3.759 50 0 DHAALO Cc1cc(N[C@@H](C)c2ncccc2C)nc(-c2cccnc2)[nH+]1 ZINC000065410562 184339754 /nfs/dbraw/zinc/33/97/54/184339754.db2.gz GXKIFDCZRRBRCP-AWEZNQCLSA-N 1 2 305.385 3.724 50 0 DHAALO C[N@H+](Cc1cccn1-c1nccs1)Cc1cccnc1Cl ZINC000065398838 184336699 /nfs/dbraw/zinc/33/66/99/184336699.db2.gz PUTMVEILHKRTAV-UHFFFAOYSA-N 1 2 318.833 3.614 50 0 DHAALO C[N@@H+](Cc1cccn1-c1nccs1)Cc1cccnc1Cl ZINC000065398838 184336701 /nfs/dbraw/zinc/33/67/01/184336701.db2.gz PUTMVEILHKRTAV-UHFFFAOYSA-N 1 2 318.833 3.614 50 0 DHAALO Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1-c1[nH]cc[nH+]1 ZINC000089526257 256548448 /nfs/dbraw/zinc/54/84/48/256548448.db2.gz WLMIFBOWUNCFPI-NSHDSACASA-N 1 2 324.384 3.814 50 0 DHAALO CCCCN1c2ccccc2[N@@H+](CC(=O)c2ccc(C)cc2)C1=N ZINC000367735684 333347195 /nfs/dbraw/zinc/34/71/95/333347195.db2.gz DSWQSRHNYJSUQY-UHFFFAOYSA-N 1 2 321.424 3.914 50 0 DHAALO CCCCN1c2ccccc2[N@H+](CC(=O)c2ccc(C)cc2)C1=N ZINC000367735684 333347196 /nfs/dbraw/zinc/34/71/96/333347196.db2.gz DSWQSRHNYJSUQY-UHFFFAOYSA-N 1 2 321.424 3.914 50 0 DHAALO CCCc1ccc([C@H](C)NC(=O)N(C)Cc2[nH]cc(C)[nH+]2)cc1 ZINC000534652440 334312470 /nfs/dbraw/zinc/31/24/70/334312470.db2.gz ADFIMCOXJQFOOC-AWEZNQCLSA-N 1 2 314.433 3.573 50 0 DHAALO CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331694066 336144601 /nfs/dbraw/zinc/14/46/01/336144601.db2.gz YABBJKFVTLHCHX-HUUCEWRRSA-N 1 2 318.465 3.514 50 0 DHAALO COc1ccccc1C1(F)CC[NH+](Cc2cscn2)CC1 ZINC000373862389 336974886 /nfs/dbraw/zinc/97/48/86/336974886.db2.gz HYDGBROTRKGAIB-UHFFFAOYSA-N 1 2 306.406 3.613 50 0 DHAALO CC1(C)C[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178811348 341965810 /nfs/dbraw/zinc/96/58/10/341965810.db2.gz WIBCPCPOGBLIOL-MRXNPFEDSA-N 1 2 309.413 3.871 50 0 DHAALO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1cccc(F)c1 ZINC000051119480 563653626 /nfs/dbraw/zinc/65/36/26/563653626.db2.gz LKFQBRNOWACZHR-MRXNPFEDSA-N 1 2 311.759 3.784 50 0 DHAALO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1cccc(F)c1 ZINC000051119480 563653628 /nfs/dbraw/zinc/65/36/28/563653628.db2.gz LKFQBRNOWACZHR-MRXNPFEDSA-N 1 2 311.759 3.784 50 0 DHAALO Cc1ccc(-c2nn(C[NH+]3CCC(C)CC3)c(=S)o2)cc1 ZINC000000078066 563213931 /nfs/dbraw/zinc/21/39/31/563213931.db2.gz AMELLVLSMFTSJA-UHFFFAOYSA-N 1 2 303.431 3.870 50 0 DHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C)cc1 ZINC000000242826 563232992 /nfs/dbraw/zinc/23/29/92/563232992.db2.gz QVNBCTFNKHPFHY-MRXNPFEDSA-N 1 2 324.424 3.737 50 0 DHAALO CN(c1[nH+]cnc2c1cnn2-c1ccccc1)C1CCCCC1 ZINC000000426412 563252821 /nfs/dbraw/zinc/25/28/21/563252821.db2.gz STMPYSRJZZHYLQ-UHFFFAOYSA-N 1 2 307.401 3.584 50 0 DHAALO Cc1cc2[nH+]cn(CCc3noc(-c4ccccc4)n3)c2cc1C ZINC000007542379 563339467 /nfs/dbraw/zinc/33/94/67/563339467.db2.gz QSZRPVCNANMELP-UHFFFAOYSA-N 1 2 318.380 3.946 50 0 DHAALO CCn1ccnc1C[N@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011819728 563360004 /nfs/dbraw/zinc/36/00/04/563360004.db2.gz VXEFFLBXYJCHLD-UHFFFAOYSA-N 1 2 323.444 3.542 50 0 DHAALO CCn1ccnc1C[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011819728 563360006 /nfs/dbraw/zinc/36/00/06/563360006.db2.gz VXEFFLBXYJCHLD-UHFFFAOYSA-N 1 2 323.444 3.542 50 0 DHAALO CCn1cc[nH+]c1CN(C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011819728 563360008 /nfs/dbraw/zinc/36/00/08/563360008.db2.gz VXEFFLBXYJCHLD-UHFFFAOYSA-N 1 2 323.444 3.542 50 0 DHAALO CC[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C)o1)c1ccc(C)cc1 ZINC000015296539 563408933 /nfs/dbraw/zinc/40/89/33/563408933.db2.gz MHGPPZLDLUTXKV-GOSISDBHSA-N 1 2 314.429 3.596 50 0 DHAALO CC[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C)o1)c1ccc(C)cc1 ZINC000015296539 563408936 /nfs/dbraw/zinc/40/89/36/563408936.db2.gz MHGPPZLDLUTXKV-GOSISDBHSA-N 1 2 314.429 3.596 50 0 DHAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCc2ccccc2C1 ZINC000026227485 563425241 /nfs/dbraw/zinc/42/52/41/563425241.db2.gz YYFMBYPBNJHFFH-LBPRGKRZSA-N 1 2 311.410 3.917 50 0 DHAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCc2ccccc2C1 ZINC000026227485 563425243 /nfs/dbraw/zinc/42/52/43/563425243.db2.gz YYFMBYPBNJHFFH-LBPRGKRZSA-N 1 2 311.410 3.917 50 0 DHAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccccc1F ZINC000026371925 563425822 /nfs/dbraw/zinc/42/58/22/563425822.db2.gz XKJPVTIPKDWJKU-LLVKDONJSA-N 1 2 315.373 3.593 50 0 DHAALO Cc1cccc(NC(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000011009169 563426033 /nfs/dbraw/zinc/42/60/33/563426033.db2.gz WKWRHJNJPPGVNU-QGZVFWFLSA-N 1 2 320.396 3.824 50 0 DHAALO CCC[NH+](CCC)Cn1nc(-c2ccc(OC)cc2)[nH]c1=S ZINC000029886046 563436196 /nfs/dbraw/zinc/43/61/96/563436196.db2.gz YQUUIQBSUWKQKD-UHFFFAOYSA-N 1 2 320.462 3.696 50 0 DHAALO Cc1ccccc1C[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000030644432 563437802 /nfs/dbraw/zinc/43/78/02/563437802.db2.gz XZUHNVZSBUFJNF-GOSISDBHSA-N 1 2 309.388 3.747 50 0 DHAALO CC(C)C(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960704 563446304 /nfs/dbraw/zinc/44/63/04/563446304.db2.gz HHPPRMBKLWUBDQ-UHFFFAOYSA-N 1 2 307.397 3.943 50 0 DHAALO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034872646 563451781 /nfs/dbraw/zinc/45/17/81/563451781.db2.gz IFUGPBBKKTUWFO-STQMWFEESA-N 1 2 314.351 3.596 50 0 DHAALO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034872646 563451783 /nfs/dbraw/zinc/45/17/83/563451783.db2.gz IFUGPBBKKTUWFO-STQMWFEESA-N 1 2 314.351 3.596 50 0 DHAALO Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044933556 563464432 /nfs/dbraw/zinc/46/44/32/563464432.db2.gz AJCCATIBLWIARS-MRXNPFEDSA-N 1 2 319.408 3.731 50 0 DHAALO Fc1ccccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000055543285 563476268 /nfs/dbraw/zinc/47/62/68/563476268.db2.gz YDLMKPHKCINHJR-UHFFFAOYSA-N 1 2 304.796 3.801 50 0 DHAALO Fc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000055544085 563476352 /nfs/dbraw/zinc/47/63/52/563476352.db2.gz JDPTYSRLHZFWNX-UHFFFAOYSA-N 1 2 304.796 3.801 50 0 DHAALO Cc1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc(-c2ccccc2)[nH+]1 ZINC000067695731 563489561 /nfs/dbraw/zinc/48/95/61/563489561.db2.gz GAXLZGLVNANLCP-INIZCTEOSA-N 1 2 319.412 3.559 50 0 DHAALO c1cn(C[C@H](c2ccccc2)n2cc(C3CCCCC3)nn2)c[nH+]1 ZINC000067712684 563489871 /nfs/dbraw/zinc/48/98/71/563489871.db2.gz BTZYLATZIQVQQC-LJQANCHMSA-N 1 2 321.428 3.812 50 0 DHAALO COc1ccc(-c2[nH+]ccn2C2Cc3ccccc3C2)c(OC)c1 ZINC000071422290 563499788 /nfs/dbraw/zinc/49/97/88/563499788.db2.gz ZSSNOLUKFAGCIR-UHFFFAOYSA-N 1 2 320.392 3.907 50 0 DHAALO Cc1[nH+]c2cc(CNc3ncnc4cc(F)ccc43)ccc2n1C ZINC000095355597 563529096 /nfs/dbraw/zinc/52/90/96/563529096.db2.gz YFXKVSGRRYCZBS-UHFFFAOYSA-N 1 2 321.359 3.576 50 0 DHAALO CSCCCNC(=O)Nc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000096132479 563533189 /nfs/dbraw/zinc/53/31/89/563533189.db2.gz WNYDQLIMAUVEPF-UHFFFAOYSA-N 1 2 306.435 3.561 50 0 DHAALO CC(C)c1nc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)co1 ZINC000097604233 563540161 /nfs/dbraw/zinc/54/01/61/563540161.db2.gz RYEPIXSIBITFLY-SFHVURJKSA-N 1 2 314.429 3.979 50 0 DHAALO CC(C)c1nc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)co1 ZINC000097604233 563540163 /nfs/dbraw/zinc/54/01/63/563540163.db2.gz RYEPIXSIBITFLY-SFHVURJKSA-N 1 2 314.429 3.979 50 0 DHAALO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1cccc(F)c1 ZINC000051119475 563653637 /nfs/dbraw/zinc/65/36/37/563653637.db2.gz LKFQBRNOWACZHR-INIZCTEOSA-N 1 2 311.759 3.784 50 0 DHAALO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1cccc(F)c1 ZINC000051119475 563653641 /nfs/dbraw/zinc/65/36/41/563653641.db2.gz LKFQBRNOWACZHR-INIZCTEOSA-N 1 2 311.759 3.784 50 0 DHAALO Cc1nc(N2CCCC2)c(N)c(-c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000096282098 563672400 /nfs/dbraw/zinc/67/24/00/563672400.db2.gz IFOYJIVJMNOGKE-UHFFFAOYSA-N 1 2 323.227 3.941 50 0 DHAALO CC(C)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000045965426 563691080 /nfs/dbraw/zinc/69/10/80/563691080.db2.gz OOGWMWYGVRMFRK-UHFFFAOYSA-N 1 2 316.474 3.611 50 0 DHAALO Cc1nc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)oc1C ZINC000049982940 563702605 /nfs/dbraw/zinc/70/26/05/563702605.db2.gz LNBAAFNEJWEAGE-AWEZNQCLSA-N 1 2 306.431 3.534 50 0 DHAALO Cc1nc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)oc1C ZINC000049982940 563702607 /nfs/dbraw/zinc/70/26/07/563702607.db2.gz LNBAAFNEJWEAGE-AWEZNQCLSA-N 1 2 306.431 3.534 50 0 DHAALO COc1cc(OC)c(C[NH+]2CCC(F)(F)CC2)cc1Cl ZINC000215291260 563704797 /nfs/dbraw/zinc/70/47/97/563704797.db2.gz UIECIBYJVOQVJW-UHFFFAOYSA-N 1 2 305.752 3.588 50 0 DHAALO Cc1cccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000000787268 563716052 /nfs/dbraw/zinc/71/60/52/563716052.db2.gz PLWIRRGNHDOSSH-MRXNPFEDSA-N 1 2 324.424 3.908 50 0 DHAALO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccsc1 ZINC000007926872 563718229 /nfs/dbraw/zinc/71/82/29/563718229.db2.gz YAEFVPOBJCSXEN-UHFFFAOYSA-N 1 2 312.797 3.611 50 0 DHAALO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccsc1 ZINC000007926872 563718232 /nfs/dbraw/zinc/71/82/32/563718232.db2.gz 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/nfs/dbraw/zinc/87/04/69/563870469.db2.gz PAFCLBAXSOWRCE-UHFFFAOYSA-N 1 2 309.417 3.669 50 0 DHAALO Cc1cc(OCc2nnc(C3CCC3)n2C)c2ccccc2[nH+]1 ZINC000192193158 563885469 /nfs/dbraw/zinc/88/54/69/563885469.db2.gz WMPTZMMANRMKBY-UHFFFAOYSA-N 1 2 308.385 3.518 50 0 DHAALO C[C@@H](c1nnc(Cc2cccs2)o1)[N@H+](C)Cc1ccccc1 ZINC000521393906 563888013 /nfs/dbraw/zinc/88/80/13/563888013.db2.gz UUNLTDODJMIXAU-ZDUSSCGKSA-N 1 2 313.426 3.915 50 0 DHAALO C[C@@H](c1nnc(Cc2cccs2)o1)[N@@H+](C)Cc1ccccc1 ZINC000521393906 563888017 /nfs/dbraw/zinc/88/80/17/563888017.db2.gz UUNLTDODJMIXAU-ZDUSSCGKSA-N 1 2 313.426 3.915 50 0 DHAALO Cc1nnc([C@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)o1 ZINC000079881423 563911740 /nfs/dbraw/zinc/91/17/40/563911740.db2.gz KZLZAJMFQWXMCP-QMMMGPOBSA-N 1 2 300.189 3.878 50 0 DHAALO Cc1nnc([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)o1 ZINC000079881423 563911742 /nfs/dbraw/zinc/91/17/42/563911742.db2.gz KZLZAJMFQWXMCP-QMMMGPOBSA-N 1 2 300.189 3.878 50 0 DHAALO O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000089851166 563911826 /nfs/dbraw/zinc/91/18/26/563911826.db2.gz AIQFWXLPJFNNER-QGZVFWFLSA-N 1 2 317.392 3.751 50 0 DHAALO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000426452 563914257 /nfs/dbraw/zinc/91/42/57/563914257.db2.gz VHYXOZSXMHZBGS-UHFFFAOYSA-N 1 2 315.380 3.736 50 0 DHAALO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1F ZINC000007788424 563919228 /nfs/dbraw/zinc/91/92/28/563919228.db2.gz QMRGOKVHWMLKLJ-UHFFFAOYSA-N 1 2 316.351 3.568 50 0 DHAALO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1F ZINC000007788424 563919229 /nfs/dbraw/zinc/91/92/29/563919229.db2.gz QMRGOKVHWMLKLJ-UHFFFAOYSA-N 1 2 316.351 3.568 50 0 DHAALO Clc1ccc2nc([C@@H]3CCC[N@@H+]3C[C@H]3CCCO3)[nH]c2c1 ZINC000052575063 563924087 /nfs/dbraw/zinc/92/40/87/563924087.db2.gz QRDGSLHOFPEJTO-DOMZBBRYSA-N 1 2 305.809 3.532 50 0 DHAALO Clc1ccc2nc([C@@H]3CCC[N@H+]3C[C@H]3CCCO3)[nH]c2c1 ZINC000052575063 563924088 /nfs/dbraw/zinc/92/40/88/563924088.db2.gz 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CC(C)(C)c1cnc(C[NH2+]C(C)(C)c2ccc3c(c2)OCO3)o1 ZINC000069808389 563954757 /nfs/dbraw/zinc/95/47/57/563954757.db2.gz GDBSQMPWDMSVEQ-UHFFFAOYSA-N 1 2 316.401 3.726 50 0 DHAALO Cc1nc(C[N@H+](Cc2ccccc2F)C2CCOCC2)cs1 ZINC000076727744 563960842 /nfs/dbraw/zinc/96/08/42/563960842.db2.gz SSVFRYZCQRAJGR-UHFFFAOYSA-N 1 2 320.433 3.772 50 0 DHAALO Cc1nc(C[N@@H+](Cc2ccccc2F)C2CCOCC2)cs1 ZINC000076727744 563960843 /nfs/dbraw/zinc/96/08/43/563960843.db2.gz SSVFRYZCQRAJGR-UHFFFAOYSA-N 1 2 320.433 3.772 50 0 DHAALO Fc1cccc2c(Nc3ccc(N4CCCC4)[nH+]c3)ncnc12 ZINC000252507730 568413806 /nfs/dbraw/zinc/41/38/06/568413806.db2.gz WTBBPEDSOGWVMH-UHFFFAOYSA-N 1 2 309.348 3.508 50 0 DHAALO Clc1ccccc1OC1CC[NH+](Cc2cscn2)CC1 ZINC000179008487 568414625 /nfs/dbraw/zinc/41/46/25/568414625.db2.gz MMPKCYWXRPOHON-UHFFFAOYSA-N 1 2 308.834 3.840 50 0 DHAALO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(F)cc1Cl)C1CC1 ZINC000952979101 1032679452 /nfs/dbraw/zinc/67/94/52/1032679452.db2.gz MHDAIHKSDNUQCW-UHFFFAOYSA-N 1 2 321.827 3.994 50 0 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ZINC000003314793 181003594 /nfs/dbraw/zinc/00/35/94/181003594.db2.gz QBYHBBXKGAHSMS-LLVKDONJSA-N 1 2 318.471 3.769 50 0 DHAALO C[C@@H]1CCC[N@@H+](Cn2nc3sc4ccccc4n3c2=S)C1 ZINC000003314793 181003595 /nfs/dbraw/zinc/00/35/95/181003595.db2.gz QBYHBBXKGAHSMS-LLVKDONJSA-N 1 2 318.471 3.769 50 0 DHAALO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000003388523 181014378 /nfs/dbraw/zinc/01/43/78/181014378.db2.gz ROBDRAMYVGCHCR-UHFFFAOYSA-N 1 2 318.417 3.618 50 0 DHAALO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000003388523 181014381 /nfs/dbraw/zinc/01/43/81/181014381.db2.gz ROBDRAMYVGCHCR-UHFFFAOYSA-N 1 2 318.417 3.618 50 0 DHAALO Clc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC000003887559 181052957 /nfs/dbraw/zinc/05/29/57/181052957.db2.gz GSWYONCRUIWTTH-UHFFFAOYSA-N 1 2 307.850 3.819 50 0 DHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000004354645 181101719 /nfs/dbraw/zinc/10/17/19/181101719.db2.gz DZEAVXCPWSHEIT-UHFFFAOYSA-N 1 2 319.343 3.567 50 0 DHAALO COc1cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)ccc1O ZINC000194997856 201322633 /nfs/dbraw/zinc/32/26/33/201322633.db2.gz NTRADKIHLORKTG-CQSZACIVSA-N 1 2 304.415 3.503 50 0 DHAALO COc1cc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)ccc1O ZINC000194997856 201322635 /nfs/dbraw/zinc/32/26/35/201322635.db2.gz NTRADKIHLORKTG-CQSZACIVSA-N 1 2 304.415 3.503 50 0 DHAALO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ncc[nH]1)c1cccnc1)CCC2 ZINC000195085806 201336359 /nfs/dbraw/zinc/33/63/59/201336359.db2.gz NFHPSMSZWNJHII-RTBURBONSA-N 1 2 318.424 3.870 50 0 DHAALO CC(C)CCn1ccc(N[C@@H](c2cccs2)c2[nH]cc[nH+]2)n1 ZINC000195099482 201338743 /nfs/dbraw/zinc/33/87/43/201338743.db2.gz BQZDMHXJSINWHL-HNNXBMFYSA-N 1 2 315.446 3.915 50 0 DHAALO CC(=O)NCCCCCc1[nH+]c2ccccc2n1CCC(C)C ZINC000006743439 181381388 /nfs/dbraw/zinc/38/13/88/181381388.db2.gz BGVAFNYRQJGFQV-UHFFFAOYSA-N 1 2 315.461 3.931 50 0 DHAALO CCn1c[nH+]cc1CN1C[C@](C)(CCC=C(C)C)CCC1=O ZINC000091830430 193114576 /nfs/dbraw/zinc/11/45/76/193114576.db2.gz XIEGPMUICLGMPQ-GOSISDBHSA-N 1 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/nfs/dbraw/zinc/39/39/42/182393942.db2.gz HSEHWURUCNKEBX-ZDUSSCGKSA-N 1 2 321.490 3.894 50 0 DHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3CCCCC3)n2)C1 ZINC000024887879 182393944 /nfs/dbraw/zinc/39/39/44/182393944.db2.gz HSEHWURUCNKEBX-ZDUSSCGKSA-N 1 2 321.490 3.894 50 0 DHAALO C[C@H](NC(=O)Nc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029617173 182572476 /nfs/dbraw/zinc/57/24/76/182572476.db2.gz AXRSHRDNCWMYBG-AWEZNQCLSA-N 1 2 306.369 3.755 50 0 DHAALO O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038833905 183010890 /nfs/dbraw/zinc/01/08/90/183010890.db2.gz ZNUONDWMAPSPFY-UHFFFAOYSA-N 1 2 311.772 3.837 50 0 DHAALO CC(C)c1[nH]c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2[nH+]1 ZINC000040284217 183050555 /nfs/dbraw/zinc/05/05/55/183050555.db2.gz LNBGKUXJLQLROR-UHFFFAOYSA-N 1 2 323.352 3.667 50 0 DHAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000042203961 183241534 /nfs/dbraw/zinc/24/15/34/183241534.db2.gz QSRQMMYEAKXJGH-KRWDZBQOSA-N 1 2 313.351 3.578 50 0 DHAALO c1nc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cs1 ZINC000058432883 184117815 /nfs/dbraw/zinc/11/78/15/184117815.db2.gz FKVYUPHANAHTBM-KRWDZBQOSA-N 1 2 324.453 3.555 50 0 DHAALO c1ccc(-c2nc3c(s2)CCCC3)c(C[NH+]2CCOCC2)c1 ZINC000065459381 184348148 /nfs/dbraw/zinc/34/81/48/184348148.db2.gz BBOWBSMRSNBQNF-UHFFFAOYSA-N 1 2 314.454 3.521 50 0 DHAALO CCCCN(Cc1ccc(C)s1)C(=O)[C@H](C)n1cc[nH+]c1 ZINC000426513711 257248721 /nfs/dbraw/zinc/24/87/21/257248721.db2.gz PXOSITJFHRYSHO-AWEZNQCLSA-N 1 2 305.447 3.643 50 0 DHAALO CCCCN(c1cc([C@@H]2CCOC2)[nH+]c(C)n1)C1CCCC1 ZINC000426436534 257250327 /nfs/dbraw/zinc/25/03/27/257250327.db2.gz ILWQYTRPECWWDQ-OAHLLOKOSA-N 1 2 303.450 3.838 50 0 DHAALO Cn1c[nH+]cc1CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285077105 131135633 /nfs/dbraw/zinc/13/56/33/131135633.db2.gz PMBUIILGFPONDB-GOSISDBHSA-N 1 2 321.428 3.537 50 0 DHAALO Cc1ccc(NC(=O)NCC2(C)Cc3ccccc3C2)c(C)[nH+]1 ZINC000179903658 337172539 /nfs/dbraw/zinc/17/25/39/337172539.db2.gz HHGRIQWDLBKBEH-UHFFFAOYSA-N 1 2 309.413 3.625 50 0 DHAALO Brc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)on1 ZINC000328594696 526635143 /nfs/dbraw/zinc/63/51/43/526635143.db2.gz UZFWTGPKBRPGQL-UHFFFAOYSA-N 1 2 319.202 3.726 50 0 DHAALO Brc1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)on1 ZINC000328594696 526635149 /nfs/dbraw/zinc/63/51/49/526635149.db2.gz UZFWTGPKBRPGQL-UHFFFAOYSA-N 1 2 319.202 3.726 50 0 DHAALO CC[C@@H](C)Sc1ncc(C[N@H+]2CCOC3(CCCC3)C2)cn1 ZINC000215478876 563705462 /nfs/dbraw/zinc/70/54/62/563705462.db2.gz QZVTZWNPCGJNFD-CQSZACIVSA-N 1 2 321.490 3.512 50 0 DHAALO CCOC(=O)c1c[nH+]c2c(C)cccc2c1NCc1ccco1 ZINC000000084772 563214551 /nfs/dbraw/zinc/21/45/51/563214551.db2.gz QDOWIAMDIQTEBJ-UHFFFAOYSA-N 1 2 310.353 3.925 50 0 DHAALO CC1CC[NH+](Cn2nc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000000111443 563218733 /nfs/dbraw/zinc/21/87/33/563218733.db2.gz MQJVFKGXYQNNPD-UHFFFAOYSA-N 1 2 307.394 3.701 50 0 DHAALO Cc1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000000446253 563255479 /nfs/dbraw/zinc/25/54/79/563255479.db2.gz RYKNKZLLFLEPFT-MRXNPFEDSA-N 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/nfs/dbraw/zinc/47/11/57/563471157.db2.gz DEUWPVMHLGROMM-UHFFFAOYSA-N 1 2 314.410 3.947 50 0 DHAALO Cc1cccn2c(CNC(=O)c3c(C)c(C)cc(C)c3C)c[nH+]c12 ZINC000055108846 563471999 /nfs/dbraw/zinc/47/19/99/563471999.db2.gz NJXSOFMDFWNDIR-UHFFFAOYSA-N 1 2 321.424 3.806 50 0 DHAALO Fc1ccc(F)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055291837 563473812 /nfs/dbraw/zinc/47/38/12/563473812.db2.gz FWGARVMDNXLEIM-UHFFFAOYSA-N 1 2 322.786 3.940 50 0 DHAALO c1cc(C[N@H+]2CCCC[C@@H]2c2nncn2Cc2ccccc2)co1 ZINC000097941570 563480845 /nfs/dbraw/zinc/48/08/45/563480845.db2.gz FDRFTZJUHCFIBB-GOSISDBHSA-N 1 2 322.412 3.647 50 0 DHAALO c1cc(C[N@@H+]2CCCC[C@@H]2c2nncn2Cc2ccccc2)co1 ZINC000097941570 563480851 /nfs/dbraw/zinc/48/08/51/563480851.db2.gz FDRFTZJUHCFIBB-GOSISDBHSA-N 1 2 322.412 3.647 50 0 DHAALO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000096433201 563482267 /nfs/dbraw/zinc/48/22/67/563482267.db2.gz UQSKYLBHNJUIFC-GDBMZVCRSA-N 1 2 315.417 3.565 50 0 DHAALO COc1ccccc1Cn1cc[nH+]c1-c1cccc(C(C)=O)c1 ZINC000067692937 563489656 /nfs/dbraw/zinc/48/96/56/563489656.db2.gz JOJHWJNPBCXIDU-UHFFFAOYSA-N 1 2 306.365 3.810 50 0 DHAALO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccccn3)nc2c1C ZINC000067908172 563493479 /nfs/dbraw/zinc/49/34/79/563493479.db2.gz SDOADVBZLGSCSX-QGZVFWFLSA-N 1 2 306.413 3.912 50 0 DHAALO Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccccn3)nc2c1C ZINC000067908172 563493483 /nfs/dbraw/zinc/49/34/83/563493483.db2.gz SDOADVBZLGSCSX-QGZVFWFLSA-N 1 2 306.413 3.912 50 0 DHAALO Cc1oc(-c2ccccc2C)nc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000071315271 563498536 /nfs/dbraw/zinc/49/85/36/563498536.db2.gz XPDOGGMOHOUYTM-UHFFFAOYSA-N 1 2 324.428 3.632 50 0 DHAALO Cc1oc(-c2ccccc2C)nc1C[N@H+](C)Cc1cnn(C)c1C ZINC000071315271 563498538 /nfs/dbraw/zinc/49/85/38/563498538.db2.gz XPDOGGMOHOUYTM-UHFFFAOYSA-N 1 2 324.428 3.632 50 0 DHAALO CC[C@@H](c1ccncc1)n1cc[nH+]c1-c1ccc2nsnc2c1 ZINC000071575242 563499681 /nfs/dbraw/zinc/49/96/81/563499681.db2.gz CTCNUKRJRAESEI-INIZCTEOSA-N 1 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ZINC000215622178 563706109 /nfs/dbraw/zinc/70/61/09/563706109.db2.gz UZZLDQYVROOOBU-UHFFFAOYSA-N 1 2 316.257 3.828 50 0 DHAALO CC(C)Cn1c(C[N@H+](C)[C@@H](C)c2ccncn2)nc2ccccc21 ZINC000216301535 563708796 /nfs/dbraw/zinc/70/87/96/563708796.db2.gz WXZWUKZYSRUTGJ-HNNXBMFYSA-N 1 2 323.444 3.675 50 0 DHAALO CC(C)Cn1c(C[N@@H+](C)[C@@H](C)c2ccncn2)nc2ccccc21 ZINC000216301535 563708797 /nfs/dbraw/zinc/70/87/97/563708797.db2.gz WXZWUKZYSRUTGJ-HNNXBMFYSA-N 1 2 323.444 3.675 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2ccccc2o1 ZINC000008134950 563718930 /nfs/dbraw/zinc/71/89/30/563718930.db2.gz OGJRRSWVTVSOKB-UHFFFAOYSA-N 1 2 319.364 3.521 50 0 DHAALO COc1ccnc(C[N@H+](C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874648 563780072 /nfs/dbraw/zinc/78/00/72/563780072.db2.gz XEWMTBPUEJFHHS-CQSZACIVSA-N 1 2 322.412 3.673 50 0 DHAALO COc1ccnc(C[N@@H+](C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874648 563780076 /nfs/dbraw/zinc/78/00/76/563780076.db2.gz XEWMTBPUEJFHHS-CQSZACIVSA-N 1 2 322.412 3.673 50 0 DHAALO COc1cc[nH+]c(CN(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874648 563780077 /nfs/dbraw/zinc/78/00/77/563780077.db2.gz XEWMTBPUEJFHHS-CQSZACIVSA-N 1 2 322.412 3.673 50 0 DHAALO Clc1ccc2[nH+]c(CSc3nccn3C3CC3)cn2c1 ZINC000012541393 563799957 /nfs/dbraw/zinc/79/99/57/563799957.db2.gz OTRPUPLVPPWUFN-UHFFFAOYSA-N 1 2 304.806 3.811 50 0 DHAALO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccccc21 ZINC000012603305 563802974 /nfs/dbraw/zinc/80/29/74/563802974.db2.gz LUZWDDLJKJNDOK-UHFFFAOYSA-N 1 2 319.408 3.578 50 0 DHAALO COCC1(N(C)C(=O)c2cccc(-c3cc(C)cc(C)[nH+]3)c2)CC1 ZINC000299764778 563805118 /nfs/dbraw/zinc/80/51/18/563805118.db2.gz LFWLFAFFLSDXTO-UHFFFAOYSA-N 1 2 324.424 3.616 50 0 DHAALO OCCOc1ccc([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129486841 563811605 /nfs/dbraw/zinc/81/16/05/563811605.db2.gz XCRHKACKZSNBDG-YPMHNXCESA-N 1 2 303.324 3.591 50 0 DHAALO COCc1ccccc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000083914829 563817616 /nfs/dbraw/zinc/81/76/16/563817616.db2.gz XHPUJKBUQPDVPW-UHFFFAOYSA-N 1 2 307.397 3.690 50 0 DHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000012915380 563853990 /nfs/dbraw/zinc/85/39/90/563853990.db2.gz HBTMUDONYBWYLD-SNVBAGLBSA-N 1 2 322.380 3.584 50 0 DHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000012915380 563853991 /nfs/dbraw/zinc/85/39/91/563853991.db2.gz HBTMUDONYBWYLD-SNVBAGLBSA-N 1 2 322.380 3.584 50 0 DHAALO CCn1ccnc1C[NH2+][C@H](C)c1ccccc1Br ZINC000051921805 563874521 /nfs/dbraw/zinc/87/45/21/563874521.db2.gz XQXAQBCJPWOUSF-LLVKDONJSA-N 1 2 308.223 3.516 50 0 DHAALO CCc1cc(OCc2occc2C(=O)OC)c2ccccc2[nH+]1 ZINC000089282790 563882939 /nfs/dbraw/zinc/88/29/39/563882939.db2.gz OUIPTYZOIBRNBJ-UHFFFAOYSA-N 1 2 311.337 3.756 50 0 DHAALO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1 ZINC000006939085 563900080 /nfs/dbraw/zinc/90/00/80/563900080.db2.gz ANKSQBXBZFZZBE-UHFFFAOYSA-N 1 2 312.797 3.611 50 0 DHAALO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1 ZINC000006939085 563900083 /nfs/dbraw/zinc/90/00/83/563900083.db2.gz ANKSQBXBZFZZBE-UHFFFAOYSA-N 1 2 312.797 3.611 50 0 DHAALO Cn1c(=S)n(C[NH+]2CCCCC2)nc1-c1ccc(Cl)cc1 ZINC000006985600 563900989 /nfs/dbraw/zinc/90/09/89/563900989.db2.gz BVUTXLBHEGOJEG-UHFFFAOYSA-N 1 2 322.865 3.715 50 0 DHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000036660060 563902700 /nfs/dbraw/zinc/90/27/00/563902700.db2.gz UYHTZHVFWGIYIQ-SFHVURJKSA-N 1 2 311.429 3.596 50 0 DHAALO Cc1ccc(C)c(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2=O)c1 ZINC000037520222 563918297 /nfs/dbraw/zinc/91/82/97/563918297.db2.gz GZMUMZGKHRARGV-KRWDZBQOSA-N 1 2 308.425 3.541 50 0 DHAALO Cc1ccc(C)c(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2=O)c1 ZINC000037520222 563918298 /nfs/dbraw/zinc/91/82/98/563918298.db2.gz GZMUMZGKHRARGV-KRWDZBQOSA-N 1 2 308.425 3.541 50 0 DHAALO CC(C)n1nccc1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000078673808 563929733 /nfs/dbraw/zinc/92/97/33/563929733.db2.gz JQUVGCNEEQWTNU-UHFFFAOYSA-N 1 2 322.368 3.904 50 0 DHAALO Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3cccs3)[nH+]c12 ZINC000079053182 563930212 /nfs/dbraw/zinc/93/02/12/563930212.db2.gz IWDPCBFQZWROMG-YUNKPMOVSA-N 1 2 304.440 3.714 50 0 DHAALO COc1c(C)c[nH+]c(CSc2nc3ncccc3o2)c1C ZINC000020993921 563932056 /nfs/dbraw/zinc/93/20/56/563932056.db2.gz PXFPHPLZNVHIOG-UHFFFAOYSA-N 1 2 301.371 3.536 50 0 DHAALO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000281268005 563933440 /nfs/dbraw/zinc/93/34/40/563933440.db2.gz VYDJCIQNNDISRW-UHFFFAOYSA-N 1 2 316.779 3.564 50 0 DHAALO CCCN(CC)c1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000096346855 563936532 /nfs/dbraw/zinc/93/65/32/563936532.db2.gz REAPVZNADPSOGX-UHFFFAOYSA-N 1 2 309.417 3.669 50 0 DHAALO c1csc(-c2nc(C[N@@H+]3CCOC4(CCCC4)C3)co2)c1 ZINC000096478172 563937510 /nfs/dbraw/zinc/93/75/10/563937510.db2.gz DJYBXGJMCNEKKA-UHFFFAOYSA-N 1 2 304.415 3.548 50 0 DHAALO c1csc(-c2nc(C[N@H+]3CCOC4(CCCC4)C3)co2)c1 ZINC000096478172 563937511 /nfs/dbraw/zinc/93/75/11/563937511.db2.gz DJYBXGJMCNEKKA-UHFFFAOYSA-N 1 2 304.415 3.548 50 0 DHAALO COC[C@@H]([NH2+][C@@H](C)c1ccc(Br)o1)c1ccco1 ZINC000225575447 563937987 /nfs/dbraw/zinc/93/79/87/563937987.db2.gz IGXQGKMEMFCRFN-VHSXEESVSA-N 1 2 314.179 3.673 50 0 DHAALO Cc1cccc2nc(C[N@@H+](C)Cc3ccc([C@@H]4C[C@H]4C)o3)cn21 ZINC000230070905 563941524 /nfs/dbraw/zinc/94/15/24/563941524.db2.gz RRIMJGXUSMYTRF-CXAGYDPISA-N 1 2 309.413 3.991 50 0 DHAALO Cc1cccc2nc(C[N@H+](C)Cc3ccc([C@@H]4C[C@H]4C)o3)cn21 ZINC000230070905 563941525 /nfs/dbraw/zinc/94/15/25/563941525.db2.gz RRIMJGXUSMYTRF-CXAGYDPISA-N 1 2 309.413 3.991 50 0 DHAALO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000029810153 563941556 /nfs/dbraw/zinc/94/15/56/563941556.db2.gz PRNQCJPYXGTKRZ-GFCCVEGCSA-N 1 2 318.417 3.581 50 0 DHAALO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000029810153 563941558 /nfs/dbraw/zinc/94/15/58/563941558.db2.gz PRNQCJPYXGTKRZ-GFCCVEGCSA-N 1 2 318.417 3.581 50 0 DHAALO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000029810156 563941585 /nfs/dbraw/zinc/94/15/85/563941585.db2.gz PRNQCJPYXGTKRZ-LBPRGKRZSA-N 1 2 318.417 3.581 50 0 DHAALO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000029810156 563941587 /nfs/dbraw/zinc/94/15/87/563941587.db2.gz PRNQCJPYXGTKRZ-LBPRGKRZSA-N 1 2 318.417 3.581 50 0 DHAALO CC(C)CCNc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000008583046 563949234 /nfs/dbraw/zinc/94/92/34/563949234.db2.gz MLFFOUYPWXAEID-UHFFFAOYSA-N 1 2 315.808 3.927 50 0 DHAALO Cc1cc(C)cc(C[NH2+][C@H](c2nccn2C)c2ccccc2)c1 ZINC000067448637 563949453 /nfs/dbraw/zinc/94/94/53/563949453.db2.gz LFOAVHIMTJZEOX-IBGZPJMESA-N 1 2 305.425 3.916 50 0 DHAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000008708295 563949904 /nfs/dbraw/zinc/94/99/04/563949904.db2.gz CSCLUSLUKQRWDD-CYBMUJFWSA-N 1 2 314.351 3.516 50 0 DHAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000008708295 563949905 /nfs/dbraw/zinc/94/99/05/563949905.db2.gz CSCLUSLUKQRWDD-CYBMUJFWSA-N 1 2 314.351 3.516 50 0 DHAALO Fc1ccc([C@H]([NH2+]Cc2nnc(C3CC3)o2)C2CCC2)cc1 ZINC000069949367 563955350 /nfs/dbraw/zinc/95/53/50/563955350.db2.gz HUNZPHLEHORYDO-MRXNPFEDSA-N 1 2 301.365 3.717 50 0 DHAALO Fc1cccc(Cl)c1CSc1ccc(-n2cc[nH+]c2)nn1 ZINC000070688610 563957168 /nfs/dbraw/zinc/95/71/68/563957168.db2.gz OTVKLJLBFPJYLE-UHFFFAOYSA-N 1 2 320.780 3.747 50 0 DHAALO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000071843154 563959226 /nfs/dbraw/zinc/95/92/26/563959226.db2.gz HZMOIRFFGTTYLX-QZTJIDSGSA-N 1 2 305.381 3.560 50 0 DHAALO O=C(N[C@H]1CCC[C@H]1n1cc[nH+]c1)c1csc2ccccc12 ZINC000071795575 568419812 /nfs/dbraw/zinc/41/98/12/568419812.db2.gz IYUAAEWCLHNWJX-LSDHHAIUSA-N 1 2 311.410 3.621 50 0 DHAALO Cc1nc(NCc2cc(-c3ccccn3)no2)cc(C(C)C)[nH+]1 ZINC000065535622 1032696877 /nfs/dbraw/zinc/69/68/77/1032696877.db2.gz SSVXKVXEKHKYMN-UHFFFAOYSA-N 1 2 309.373 3.571 50 0 DHAALO Cc1ccc(F)c(C(=O)NCc2c[nH+]cn2CC(C)C)c1Cl ZINC000821502258 1020258150 /nfs/dbraw/zinc/25/81/50/1020258150.db2.gz ZHVJYYZGUBWFOY-UHFFFAOYSA-N 1 2 323.799 3.570 50 0 DHAALO Cc1cc(Nc2nnc(C(F)F)o2)c[nH+]c1N1CCCC[C@H]1C ZINC000293250283 1021358593 /nfs/dbraw/zinc/35/85/93/1021358593.db2.gz WOFZULPOVRTRLX-SNVBAGLBSA-N 1 2 323.347 3.833 50 0 DHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000581807137 1021850541 /nfs/dbraw/zinc/85/05/41/1021850541.db2.gz JJGCBPBTULHGKI-INIZCTEOSA-N 1 2 323.440 3.507 50 0 DHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)NC3CCCCC3)C2)n1C(C)C ZINC000581816358 1021853159 /nfs/dbraw/zinc/85/31/59/1021853159.db2.gz VINRPCCDGYNSEV-HNNXBMFYSA-N 1 2 318.465 3.604 50 0 DHAALO CCCn1ncc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1C ZINC000214978273 1024518321 /nfs/dbraw/zinc/51/83/21/1024518321.db2.gz ALWAEZNXLYXBNU-HNNXBMFYSA-N 1 2 304.463 3.785 50 0 DHAALO CCCn1ncc(C[N@H+]2CCCC[C@H]2c2nccs2)c1C ZINC000214978273 1024518326 /nfs/dbraw/zinc/51/83/26/1024518326.db2.gz ALWAEZNXLYXBNU-HNNXBMFYSA-N 1 2 304.463 3.785 50 0 DHAALO COc1cc2c(c(C[NH2+]C(C)(C)c3nccs3)c1)O[C@H](C)C2 ZINC000116381097 1024570527 /nfs/dbraw/zinc/57/05/27/1024570527.db2.gz QMKSAKNCAKBCET-LLVKDONJSA-N 1 2 318.442 3.500 50 0 DHAALO CCC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccsc1 ZINC000187839248 1028479369 /nfs/dbraw/zinc/47/93/69/1028479369.db2.gz HSFKUHSIKBMXIC-MRXNPFEDSA-N 1 2 317.458 3.933 50 0 DHAALO Cc1cc(C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)nn1C ZINC000170046007 1035289315 /nfs/dbraw/zinc/28/93/15/1035289315.db2.gz ZRLNWQRPQNFTFM-HXUWFJFHSA-N 1 2 305.425 3.916 50 0 DHAALO CC[N@H+](CCCNC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000096943933 185393489 /nfs/dbraw/zinc/39/34/89/185393489.db2.gz YJCDBHWCYYTCLI-QXMHVHEDSA-N 1 2 314.454 3.794 50 0 DHAALO CC[N@@H+](CCCNC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000096943933 185393490 /nfs/dbraw/zinc/39/34/90/185393490.db2.gz YJCDBHWCYYTCLI-QXMHVHEDSA-N 1 2 314.454 3.794 50 0 DHAALO Cc1nn(C)cc1[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000090090103 185281511 /nfs/dbraw/zinc/28/15/11/185281511.db2.gz QYWAAXOUMYDHBM-GFCCVEGCSA-N 1 2 301.438 3.938 50 0 DHAALO CCc1cc(N2CCC[C@H](C(=O)c3sccc3C)C2)nc[nH+]1 ZINC000095390175 185351684 /nfs/dbraw/zinc/35/16/84/185351684.db2.gz YKTTWBDPEANKNQ-ZDUSSCGKSA-N 1 2 315.442 3.508 50 0 DHAALO CC[C@H](C)[C@H]([NH2+]Cc1ccc(COC)cc1)C(=O)OC(C)(C)C ZINC000095467213 185372059 /nfs/dbraw/zinc/37/20/59/185372059.db2.gz MOEGYCOWCOCQKA-YOEHRIQHSA-N 1 2 321.461 3.679 50 0 DHAALO CC[C@H](c1ccc(F)cc1F)[S@](=O)Cc1[nH+]ccn1CC ZINC000097013135 185396960 /nfs/dbraw/zinc/39/69/60/185396960.db2.gz UCXHXUMXYDAAPF-SZNDQCEHSA-N 1 2 312.385 3.581 50 0 DHAALO COc1cc(C)c(-c2[nH+]ccn2-c2cccnc2OC)cc1C ZINC000072133488 191044594 /nfs/dbraw/zinc/04/45/94/191044594.db2.gz WGQMLLIVOMQFEC-UHFFFAOYSA-N 1 2 309.369 3.568 50 0 DHAALO CCc1ccccc1[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1ccco1 ZINC000072146981 191052251 /nfs/dbraw/zinc/05/22/51/191052251.db2.gz IAZCYJCVXANKSM-LJQANCHMSA-N 1 2 307.397 3.713 50 0 DHAALO CCc1ccccc1[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccco1 ZINC000072146981 191052253 /nfs/dbraw/zinc/05/22/53/191052253.db2.gz IAZCYJCVXANKSM-LJQANCHMSA-N 1 2 307.397 3.713 50 0 DHAALO Cc1ccc(-c2[nH+]ccn2[C@H](C)c2ccncn2)c2cccnc12 ZINC000072148803 191054679 /nfs/dbraw/zinc/05/46/79/191054679.db2.gz INDJXDYHQYHZGT-CQSZACIVSA-N 1 2 315.380 3.806 50 0 DHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccoc1C1CC1 ZINC000253395910 186304611 /nfs/dbraw/zinc/30/46/11/186304611.db2.gz VFBIORWRANAWRC-HNNXBMFYSA-N 1 2 313.401 3.741 50 0 DHAALO Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000000446254 180794081 /nfs/dbraw/zinc/79/40/81/180794081.db2.gz RYKNKZLLFLEPFT-INIZCTEOSA-N 1 2 324.424 3.908 50 0 DHAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000000521124 180811809 /nfs/dbraw/zinc/81/18/09/180811809.db2.gz UJYPPHYHHCGDBT-UHFFFAOYSA-N 1 2 321.428 3.928 50 0 DHAALO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000003327143 181006181 /nfs/dbraw/zinc/00/61/81/181006181.db2.gz QBEOBVUMMQLION-UHFFFAOYSA-N 1 2 318.417 3.618 50 0 DHAALO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000003327143 181006182 /nfs/dbraw/zinc/00/61/82/181006182.db2.gz QBEOBVUMMQLION-UHFFFAOYSA-N 1 2 318.417 3.618 50 0 DHAALO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003583572 181037488 /nfs/dbraw/zinc/03/74/88/181037488.db2.gz AZMWBBNXIKPCML-SNVBAGLBSA-N 1 2 301.217 3.806 50 0 DHAALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003583572 181037489 /nfs/dbraw/zinc/03/74/89/181037489.db2.gz AZMWBBNXIKPCML-SNVBAGLBSA-N 1 2 301.217 3.806 50 0 DHAALO Nc1ccc2c([nH+]cn2-c2ccccc2)c1C(=O)c1ccccc1 ZINC000004982767 181183393 /nfs/dbraw/zinc/18/33/93/181183393.db2.gz PGYCHQIPHWRZDN-UHFFFAOYSA-N 1 2 313.360 3.839 50 0 DHAALO Cc1nn2c(nc(C)cc2-n2cc[nH+]c2)c1-c1ccc(Cl)cc1 ZINC000005206853 181217065 /nfs/dbraw/zinc/21/70/65/181217065.db2.gz LXRXLGISXFTLRF-UHFFFAOYSA-N 1 2 323.787 3.852 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl ZINC000005627911 181265560 /nfs/dbraw/zinc/26/55/60/181265560.db2.gz NLVTVNHPBLMBTI-UHFFFAOYSA-N 1 2 317.751 3.776 50 0 DHAALO Cc1cccn2cc(CSc3nnc(-c4ccco4)o3)[nH+]c12 ZINC000006371221 181335222 /nfs/dbraw/zinc/33/52/22/181335222.db2.gz RQHQSPSAKRCXKB-UHFFFAOYSA-N 1 2 312.354 3.578 50 0 DHAALO Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000006647912 181364498 /nfs/dbraw/zinc/36/44/98/181364498.db2.gz LFXYTJMPRONPGJ-HNNXBMFYSA-N 1 2 305.381 3.672 50 0 DHAALO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCCC3)c12 ZINC000006662453 181367396 /nfs/dbraw/zinc/36/73/96/181367396.db2.gz GHFCSNOBFHVOGQ-UHFFFAOYSA-N 1 2 306.413 3.697 50 0 DHAALO Cc1c(C)n(-c2cccnc2)c2nc[nH+]c(NCc3ccco3)c12 ZINC000006672642 181368881 /nfs/dbraw/zinc/36/88/81/181368881.db2.gz MQFVWVQHWRLIFP-UHFFFAOYSA-N 1 2 319.368 3.637 50 0 DHAALO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000009627545 181632652 /nfs/dbraw/zinc/63/26/52/181632652.db2.gz NHCZNJBZHIKAGX-UHFFFAOYSA-N 1 2 321.428 3.813 50 0 DHAALO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)cc1 ZINC000012603300 181782472 /nfs/dbraw/zinc/78/24/72/181782472.db2.gz AFZNZTTZSBFMKW-UHFFFAOYSA-N 1 2 311.360 3.767 50 0 DHAALO Cc1nc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cs1 ZINC000017318860 182082856 /nfs/dbraw/zinc/08/28/56/182082856.db2.gz DMGHAVWEHPYKFJ-UHFFFAOYSA-N 1 2 312.442 3.544 50 0 DHAALO Cc1ccc(Nc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000018068338 182092244 /nfs/dbraw/zinc/09/22/44/182092244.db2.gz WVLTUTMWAHZDTN-UHFFFAOYSA-N 1 2 315.380 3.927 50 0 DHAALO FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000019781601 182147792 /nfs/dbraw/zinc/14/77/92/182147792.db2.gz FIYVLVJYYVSCRI-UHFFFAOYSA-N 1 2 324.346 3.616 50 0 DHAALO Fc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019781877 182148592 /nfs/dbraw/zinc/14/85/92/182148592.db2.gz KDKRAZHDTQXSSW-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO Fc1ccccc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019781877 182148593 /nfs/dbraw/zinc/14/85/93/182148593.db2.gz KDKRAZHDTQXSSW-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO O=C(Cc1ccc(Cl)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889626 182370028 /nfs/dbraw/zinc/37/00/28/182370028.db2.gz TZHPDKNPMOOQFO-UHFFFAOYSA-N 1 2 311.772 3.707 50 0 DHAALO Cc1ccc(-c2noc(C[N@@H+]3CCc4sccc4C3)n2)cc1 ZINC000024060411 182374215 /nfs/dbraw/zinc/37/42/15/182374215.db2.gz XATIBTNFIBGBOI-UHFFFAOYSA-N 1 2 311.410 3.665 50 0 DHAALO Cc1ccc(-c2noc(C[N@H+]3CCc4sccc4C3)n2)cc1 ZINC000024060411 182374217 /nfs/dbraw/zinc/37/42/17/182374217.db2.gz XATIBTNFIBGBOI-UHFFFAOYSA-N 1 2 311.410 3.665 50 0 DHAALO Cc1noc(C)c1C[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000024670648 182386530 /nfs/dbraw/zinc/38/65/30/182386530.db2.gz PDRNTCJPVXRSPA-UHFFFAOYSA-N 1 2 323.396 3.515 50 0 DHAALO Cc1noc(C)c1C[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000024670648 182386531 /nfs/dbraw/zinc/38/65/31/182386531.db2.gz PDRNTCJPVXRSPA-UHFFFAOYSA-N 1 2 323.396 3.515 50 0 DHAALO Cc1ccc(C)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000038833435 183011005 /nfs/dbraw/zinc/01/10/05/183011005.db2.gz ZUSNGDHSTFVZJS-UHFFFAOYSA-N 1 2 305.381 3.801 50 0 DHAALO C[C@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000044073303 183393248 /nfs/dbraw/zinc/39/32/48/183393248.db2.gz MBONDCCFARFCIJ-JTQLQIEISA-N 1 2 301.371 3.510 50 0 DHAALO C[C@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000044073303 183393251 /nfs/dbraw/zinc/39/32/51/183393251.db2.gz MBONDCCFARFCIJ-JTQLQIEISA-N 1 2 301.371 3.510 50 0 DHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000057358593 184036555 /nfs/dbraw/zinc/03/65/55/184036555.db2.gz RVPXSGUXELMJHK-CQSZACIVSA-N 1 2 312.413 3.537 50 0 DHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000057358593 184036557 /nfs/dbraw/zinc/03/65/57/184036557.db2.gz RVPXSGUXELMJHK-CQSZACIVSA-N 1 2 312.413 3.537 50 0 DHAALO Cc1cccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000061900602 184193628 /nfs/dbraw/zinc/19/36/28/184193628.db2.gz FJFOADHDHCGZPV-UHFFFAOYSA-N 1 2 323.440 3.700 50 0 DHAALO Cc1ccsc1C[N@H+](C)Cc1nnc(-c2occc2C)o1 ZINC000065592273 184370202 /nfs/dbraw/zinc/37/02/02/184370202.db2.gz MBNBPMWCJULDLI-UHFFFAOYSA-N 1 2 303.387 3.640 50 0 DHAALO Cc1ccsc1C[N@@H+](C)Cc1nnc(-c2occc2C)o1 ZINC000065592273 184370204 /nfs/dbraw/zinc/37/02/04/184370204.db2.gz MBNBPMWCJULDLI-UHFFFAOYSA-N 1 2 303.387 3.640 50 0 DHAALO CC(C)(C)[C@@H]([NH2+]Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000043763151 262519666 /nfs/dbraw/zinc/51/96/66/262519666.db2.gz IJRHOVQYCBZEJD-SFHVURJKSA-N 1 2 311.425 3.934 50 0 DHAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000009515341 563956484 /nfs/dbraw/zinc/95/64/84/563956484.db2.gz ABHRKBZFYHOSTM-SNVBAGLBSA-N 1 2 301.217 3.806 50 0 DHAALO CCOC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000000278699 563235410 /nfs/dbraw/zinc/23/54/10/563235410.db2.gz JZHWQDQAMGIMMR-UHFFFAOYSA-N 1 2 316.228 3.769 50 0 DHAALO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000032757837 563391286 /nfs/dbraw/zinc/39/12/86/563391286.db2.gz LQLJNYDIYOLDIV-TXEJJXNPSA-N 1 2 306.793 3.604 50 0 DHAALO C[C@@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000032757837 563391288 /nfs/dbraw/zinc/39/12/88/563391288.db2.gz LQLJNYDIYOLDIV-TXEJJXNPSA-N 1 2 306.793 3.604 50 0 DHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000000074302 563213293 /nfs/dbraw/zinc/21/32/93/563213293.db2.gz DLJHKUKZXUWCQO-HUUCEWRRSA-N 1 2 321.428 3.606 50 0 DHAALO Cc1cccc(NC(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000011009166 563425858 /nfs/dbraw/zinc/42/58/58/563425858.db2.gz WKWRHJNJPPGVNU-KRWDZBQOSA-N 1 2 320.396 3.824 50 0 DHAALO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000026807466 563426832 /nfs/dbraw/zinc/42/68/32/563426832.db2.gz QUCSUVGKKNYXFT-LBPRGKRZSA-N 1 2 311.410 3.917 50 0 DHAALO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCc2ccccc2C1 ZINC000026807466 563426835 /nfs/dbraw/zinc/42/68/35/563426835.db2.gz QUCSUVGKKNYXFT-LBPRGKRZSA-N 1 2 311.410 3.917 50 0 DHAALO CCc1nc(C[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)cs1 ZINC000072274463 563431592 /nfs/dbraw/zinc/43/15/92/563431592.db2.gz HFNPMQLBUBBPKV-AWEZNQCLSA-N 1 2 318.490 3.824 50 0 DHAALO c1ccc(C([NH2+]Cc2nc(C3CC3)no2)c2ccccc2)cc1 ZINC000029450073 563434850 /nfs/dbraw/zinc/43/48/50/563434850.db2.gz GIGKSCDQWSYMAV-UHFFFAOYSA-N 1 2 305.381 3.826 50 0 DHAALO CSc1ccc2c(C)cc(N[C@H](C)c3nncn3C)[nH+]c2c1 ZINC000032513818 563442735 /nfs/dbraw/zinc/44/27/35/563442735.db2.gz SWIIAHZOGKSMAS-LLVKDONJSA-N 1 2 313.430 3.567 50 0 DHAALO Cc1cccc(C(C)(C)C)c1OCCOCCn1cc[nH+]c1 ZINC000016193093 563448623 /nfs/dbraw/zinc/44/86/23/563448623.db2.gz XTMPGZZFKLDKPS-UHFFFAOYSA-N 1 2 302.418 3.585 50 0 DHAALO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000055291995 563473489 /nfs/dbraw/zinc/47/34/89/563473489.db2.gz NXVSOQDGEMYDBW-UHFFFAOYSA-N 1 2 316.395 3.904 50 0 DHAALO CCOc1cc(-c2[nH+]ccn2-c2ccc3c[nH]nc3c2)ccc1O ZINC000067908283 563493316 /nfs/dbraw/zinc/49/33/16/563493316.db2.gz GCRATTMPVZSKQV-UHFFFAOYSA-N 1 2 320.352 3.520 50 0 DHAALO COc1ccc2c(c1)[nH+]c(N1CCOCC1)cc2-c1ccccc1 ZINC000000087172 563526838 /nfs/dbraw/zinc/52/68/38/563526838.db2.gz CKZHUGNNWROEQM-UHFFFAOYSA-N 1 2 320.392 3.747 50 0 DHAALO CCCSc1ccc(NC(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000096159721 563534967 /nfs/dbraw/zinc/53/49/67/563534967.db2.gz NMHMCILCXNKONE-UHFFFAOYSA-N 1 2 304.419 3.542 50 0 DHAALO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nnc(C)[nH]2)cc1 ZINC000097823418 563543226 /nfs/dbraw/zinc/54/32/26/563543226.db2.gz TZIRTAOIKNUWLT-KRWDZBQOSA-N 1 2 314.433 3.629 50 0 DHAALO CCCCOc1ccc(C[N@H+]2CCC[C@H]2c2nnc(C)[nH]2)cc1 ZINC000097823418 563543231 /nfs/dbraw/zinc/54/32/31/563543231.db2.gz TZIRTAOIKNUWLT-KRWDZBQOSA-N 1 2 314.433 3.629 50 0 DHAALO O=C(C[NH+]1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000126204 563571672 /nfs/dbraw/zinc/57/16/72/563571672.db2.gz QVXLXBKHZVAWIJ-UHFFFAOYSA-N 1 2 320.742 3.783 50 0 DHAALO COCCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000339641600 563584282 /nfs/dbraw/zinc/58/42/82/563584282.db2.gz BPHCDWUWJOQRPM-UHFFFAOYSA-N 1 2 306.749 3.502 50 0 DHAALO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000007782803 563640907 /nfs/dbraw/zinc/64/09/07/563640907.db2.gz KIXXWAOPPLUJBZ-UHFFFAOYSA-N 1 2 308.425 3.807 50 0 DHAALO CC(C)c1ccccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000007782803 563640909 /nfs/dbraw/zinc/64/09/09/563640909.db2.gz KIXXWAOPPLUJBZ-UHFFFAOYSA-N 1 2 308.425 3.807 50 0 DHAALO CCc1noc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048303116 563695748 /nfs/dbraw/zinc/69/57/48/563695748.db2.gz NRLKGHCAZUFCGL-SFHVURJKSA-N 1 2 319.408 3.780 50 0 DHAALO CCc1noc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048303116 563695749 /nfs/dbraw/zinc/69/57/49/563695749.db2.gz NRLKGHCAZUFCGL-SFHVURJKSA-N 1 2 319.408 3.780 50 0 DHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)c(OC)c1 ZINC000049983017 563702845 /nfs/dbraw/zinc/70/28/45/563702845.db2.gz XURZIMDMQYNOKW-INIZCTEOSA-N 1 2 316.401 3.646 50 0 DHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)c(OC)c1 ZINC000049983017 563702846 /nfs/dbraw/zinc/70/28/46/563702846.db2.gz XURZIMDMQYNOKW-INIZCTEOSA-N 1 2 316.401 3.646 50 0 DHAALO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000215368484 563705481 /nfs/dbraw/zinc/70/54/81/563705481.db2.gz KRQHESNTNUULSW-KRWDZBQOSA-N 1 2 315.417 3.754 50 0 DHAALO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000215368484 563705485 /nfs/dbraw/zinc/70/54/85/563705485.db2.gz KRQHESNTNUULSW-KRWDZBQOSA-N 1 2 315.417 3.754 50 0 DHAALO Cc1n[nH]c(C)c1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000215328464 563705513 /nfs/dbraw/zinc/70/55/13/563705513.db2.gz PDZPFNDRHQBTGQ-QGZVFWFLSA-N 1 2 309.417 3.630 50 0 DHAALO Cc1n[nH]c(C)c1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000215328464 563705516 /nfs/dbraw/zinc/70/55/16/563705516.db2.gz PDZPFNDRHQBTGQ-QGZVFWFLSA-N 1 2 309.417 3.630 50 0 DHAALO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(C)on2)cn1 ZINC000216242484 563708014 /nfs/dbraw/zinc/70/80/14/563708014.db2.gz XWRHATSDLNCLKS-MRXNPFEDSA-N 1 2 301.390 3.504 50 0 DHAALO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(C)on2)cn1 ZINC000216242484 563708017 /nfs/dbraw/zinc/70/80/17/563708017.db2.gz XWRHATSDLNCLKS-MRXNPFEDSA-N 1 2 301.390 3.504 50 0 DHAALO CC(C)n1cc(C[N@H+](Cc2ccco2)Cc2ccncc2)cn1 ZINC000219178362 563718642 /nfs/dbraw/zinc/71/86/42/563718642.db2.gz SYJWNJWNMDTMJS-UHFFFAOYSA-N 1 2 310.401 3.654 50 0 DHAALO CC(C)n1cc(C[N@@H+](Cc2ccco2)Cc2ccncc2)cn1 ZINC000219178362 563718644 /nfs/dbraw/zinc/71/86/44/563718644.db2.gz SYJWNJWNMDTMJS-UHFFFAOYSA-N 1 2 310.401 3.654 50 0 DHAALO C[C@@H]1SCC[N@H+](Cc2cnc(Cl)cn2)[C@@H]1c1ccccc1 ZINC000225573973 563759465 /nfs/dbraw/zinc/75/94/65/563759465.db2.gz VWRDNWUQGFJJIE-LRDDRELGSA-N 1 2 319.861 3.809 50 0 DHAALO C[C@@H]1SCC[N@@H+](Cc2cnc(Cl)cn2)[C@@H]1c1ccccc1 ZINC000225573973 563759467 /nfs/dbraw/zinc/75/94/67/563759467.db2.gz VWRDNWUQGFJJIE-LRDDRELGSA-N 1 2 319.861 3.809 50 0 DHAALO CC(C)c1nnsc1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000252483677 563783807 /nfs/dbraw/zinc/78/38/07/563783807.db2.gz FGVGOJRDALRHIN-AWEZNQCLSA-N 1 2 302.447 3.784 50 0 DHAALO CC(C)c1nnsc1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000252483677 563783812 /nfs/dbraw/zinc/78/38/12/563783812.db2.gz FGVGOJRDALRHIN-AWEZNQCLSA-N 1 2 302.447 3.784 50 0 DHAALO Cc1nnc(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)o1 ZINC000052685586 563792802 /nfs/dbraw/zinc/79/28/02/563792802.db2.gz WUXUFBJXZFUBOG-KRWDZBQOSA-N 1 2 311.410 3.587 50 0 DHAALO Cc1nnc(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)o1 ZINC000052685586 563792806 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DHAALO O=C1CC2(CN1Cc1c[nH+]cn1Cc1ccccc1)CCCCC2 ZINC000095511754 185376222 /nfs/dbraw/zinc/37/62/22/185376222.db2.gz SHLAHGWKTSZMBU-UHFFFAOYSA-N 1 2 323.440 3.614 50 0 DHAALO O[C@H]1CCCN(c2cc(-c3ccccc3)c3ccccc3[nH+]2)C1 ZINC000082164539 185174521 /nfs/dbraw/zinc/17/45/21/185174521.db2.gz KPBLWWBDVVXFFF-INIZCTEOSA-N 1 2 304.393 3.863 50 0 DHAALO CC(=O)Nc1ccc(-n2cc[nH+]c2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000082133942 192361168 /nfs/dbraw/zinc/36/11/68/192361168.db2.gz IKBYJTHAHADEST-CQSZACIVSA-N 1 2 313.401 3.503 50 0 DHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000095389022 185351270 /nfs/dbraw/zinc/35/12/70/185351270.db2.gz WKJVMCXQAPCFBP-CYBMUJFWSA-N 1 2 303.431 3.545 50 0 DHAALO CCc1nc(CSCc2[nH+]ccn2CC(F)(F)F)cs1 ZINC000095403747 185355229 /nfs/dbraw/zinc/35/52/29/185355229.db2.gz MYIZCDRHCOIUSI-UHFFFAOYSA-N 1 2 321.393 3.898 50 0 DHAALO CCc1nnc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)n1C ZINC000097000415 185396241 /nfs/dbraw/zinc/39/62/41/185396241.db2.gz KXFRILRIIAGAPZ-SECBINFHSA-N 1 2 313.232 3.535 50 0 DHAALO Cc1n[nH]c(C)c1[C@H](C)Nc1nccc(-c2ccc(C)[nH+]c2C)n1 ZINC000071746359 191019417 /nfs/dbraw/zinc/01/94/17/191019417.db2.gz PNFDIQOQXJSXNN-LBPRGKRZSA-N 1 2 322.416 3.668 50 0 DHAALO CCc1nc(Cn2cc[nH+]c2-c2cccc(-c3ccco3)c2)no1 ZINC000071748791 191020854 /nfs/dbraw/zinc/02/08/54/191020854.db2.gz WXRREYHNFQHNMK-UHFFFAOYSA-N 1 2 320.352 3.804 50 0 DHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071753675 191023634 /nfs/dbraw/zinc/02/36/34/191023634.db2.gz ZIQJRUZKPREJDW-MLXTZYFGSA-N 1 2 321.424 3.585 50 0 DHAALO COc1ccc2c(c1)CC[N@H+]1Cc3[nH]c4ccccc4c3C[C@@H]21 ZINC000071769143 191028534 /nfs/dbraw/zinc/02/85/34/191028534.db2.gz PPHXAWMEWGQMQD-FQEVSTJZSA-N 1 2 304.393 3.832 50 0 DHAALO COc1ccc2c(c1)CC[N@@H+]1Cc3[nH]c4ccccc4c3C[C@@H]21 ZINC000071769143 191028537 /nfs/dbraw/zinc/02/85/37/191028537.db2.gz PPHXAWMEWGQMQD-FQEVSTJZSA-N 1 2 304.393 3.832 50 0 DHAALO c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000072140387 191047787 /nfs/dbraw/zinc/04/77/87/191047787.db2.gz MILMWLHNLTYERR-IBGZPJMESA-N 1 2 318.424 3.664 50 0 DHAALO c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000072140387 191047790 /nfs/dbraw/zinc/04/77/90/191047790.db2.gz MILMWLHNLTYERR-IBGZPJMESA-N 1 2 318.424 3.664 50 0 DHAALO COc1cc[nH+]cc1NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000225609483 186282983 /nfs/dbraw/zinc/28/29/83/186282983.db2.gz OSTYXLHMIKCUCG-UHFFFAOYSA-N 1 2 314.385 3.658 50 0 DHAALO CNc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)c2cc[nH]c2n1 ZINC000072475864 191177987 /nfs/dbraw/zinc/17/79/87/191177987.db2.gz OWUBLICDCCEBHS-UHFFFAOYSA-N 1 2 303.369 3.516 50 0 DHAALO COc1ccc2[nH]c(SCc3cn4ccccc4[nH+]3)nc2c1 ZINC000004252309 181088734 /nfs/dbraw/zinc/08/87/34/181088734.db2.gz ZMMJEKFXMAEUMK-UHFFFAOYSA-N 1 2 310.382 3.512 50 0 DHAALO COC[C@@H](NC(=O)Nc1cc[nH+]cc1C)c1ccc(Cl)cc1 ZINC000193594188 201081838 /nfs/dbraw/zinc/08/18/38/201081838.db2.gz KLVJRJWLEIAURU-OAHLLOKOSA-N 1 2 319.792 3.553 50 0 DHAALO COc1cc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)ccc1O ZINC000194997841 201322662 /nfs/dbraw/zinc/32/26/62/201322662.db2.gz NTRADKIHLORKTG-AWEZNQCLSA-N 1 2 304.415 3.503 50 0 DHAALO COc1cc(C[N@H+]2CCC[C@H]2c2csc(C)n2)ccc1O ZINC000194997841 201322665 /nfs/dbraw/zinc/32/26/65/201322665.db2.gz NTRADKIHLORKTG-AWEZNQCLSA-N 1 2 304.415 3.503 50 0 DHAALO C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378158 181618650 /nfs/dbraw/zinc/61/86/50/181618650.db2.gz ANDSXQVZUKOQTA-ZDUSSCGKSA-N 1 2 324.359 3.894 50 0 DHAALO COc1cc2c(cc1OC)C[N@H+](Cc1c(F)cccc1F)CC2 ZINC000016662708 182056646 /nfs/dbraw/zinc/05/66/46/182056646.db2.gz IXYQVLHYONEEAQ-UHFFFAOYSA-N 1 2 319.351 3.540 50 0 DHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000016662708 182056649 /nfs/dbraw/zinc/05/66/49/182056649.db2.gz IXYQVLHYONEEAQ-UHFFFAOYSA-N 1 2 319.351 3.540 50 0 DHAALO CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019362735 182119273 /nfs/dbraw/zinc/11/92/73/182119273.db2.gz WFNAKBGANONZEQ-GOSISDBHSA-N 1 2 300.833 3.677 50 0 fda DHAALO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020963690 182256939 /nfs/dbraw/zinc/25/69/39/182256939.db2.gz JETKPNKLDQCJMG-IJLUTSLNSA-N 1 2 321.808 3.560 50 0 DHAALO CC(C)[C@@H](Sc1[nH+]cc2ccccn21)C(=O)NC1CCCC1 ZINC000042992115 183326036 /nfs/dbraw/zinc/32/60/36/183326036.db2.gz IYDOGEPTOQDCKO-OAHLLOKOSA-N 1 2 317.458 3.510 50 0 DHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000057364829 184036295 /nfs/dbraw/zinc/03/62/95/184036295.db2.gz XPGZLRDEVVZJIF-GFCCVEGCSA-N 1 2 324.346 3.933 50 0 DHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000057364829 184036297 /nfs/dbraw/zinc/03/62/97/184036297.db2.gz XPGZLRDEVVZJIF-GFCCVEGCSA-N 1 2 324.346 3.933 50 0 DHAALO C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl ZINC000057703507 184047740 /nfs/dbraw/zinc/04/77/40/184047740.db2.gz ABIWDPPNYCKXMD-DYVFJYSZSA-N 1 2 316.832 3.820 50 0 DHAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)C2CCC2)cc1 ZINC000065171126 184313736 /nfs/dbraw/zinc/31/37/36/184313736.db2.gz KOXCJJGXPUASMH-UHFFFAOYSA-N 1 2 324.424 3.790 50 0 DHAALO C[C@H](Nc1ccc2ccccc2[nH+]1)c1ccc2c(c1)NC(=O)CO2 ZINC000069153682 184502084 /nfs/dbraw/zinc/50/20/84/184502084.db2.gz JEOQLVCQSPRPGB-LBPRGKRZSA-N 1 2 319.364 3.739 50 0 DHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000252180351 257259037 /nfs/dbraw/zinc/25/90/37/257259037.db2.gz PWTGQOZKJIVDEZ-VNHYZAJKSA-N 1 2 317.458 3.510 50 0 DHAALO CCc1c(C)[nH+]c2ccccc2c1NC(=O)Cc1c(C)noc1C ZINC000097166061 332193676 /nfs/dbraw/zinc/19/36/76/332193676.db2.gz DJBAKTDMGJNWSZ-UHFFFAOYSA-N 1 2 323.396 3.892 50 0 DHAALO CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331694062 336144739 /nfs/dbraw/zinc/14/47/39/336144739.db2.gz YABBJKFVTLHCHX-CABCVRRESA-N 1 2 318.465 3.514 50 0 DHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1c(C)cc(C)cc1C ZINC000000106881 563218294 /nfs/dbraw/zinc/21/82/94/563218294.db2.gz QBPPMGBKEIAENS-QGZVFWFLSA-N 1 2 324.424 3.710 50 0 DHAALO Cc1cccc(C)c1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000000242847 563232875 /nfs/dbraw/zinc/23/28/75/563232875.db2.gz LTFLIVFKVNIORO-KRWDZBQOSA-N 1 2 324.424 3.710 50 0 DHAALO CC(C)c1[nH+]c2ccccc2n1C[C@@H](O)COC1CCCCC1 ZINC000000446327 563255494 /nfs/dbraw/zinc/25/54/94/563255494.db2.gz XLHVWHBOXGIPJP-OAHLLOKOSA-N 1 2 316.445 3.870 50 0 DHAALO CCOc1ccc(NC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1 ZINC000000469695 563260211 /nfs/dbraw/zinc/26/02/11/563260211.db2.gz ZKGYXNLGBRNKLF-UHFFFAOYSA-N 1 2 324.384 3.924 50 0 DHAALO Cc1ccc(OCCCn2c(CCCO)[nH+]c3ccccc32)cc1 ZINC000002713347 563312081 /nfs/dbraw/zinc/31/20/81/563312081.db2.gz OODVTLJACYNWMH-UHFFFAOYSA-N 1 2 324.424 3.739 50 0 DHAALO Cc1cc([C@@H](C)[NH2+]Cc2nnc(-c3cccs3)o2)c(C)o1 ZINC000097373922 563337814 /nfs/dbraw/zinc/33/78/14/563337814.db2.gz IZQVTEMLLQEAHU-SNVBAGLBSA-N 1 2 303.387 3.859 50 0 DHAALO CCOc1cc(CNc2cccc3[nH]c(C)[nH+]c32)ccc1OC ZINC000012476607 563370810 /nfs/dbraw/zinc/37/08/10/563370810.db2.gz ARAYALRARWNTIX-UHFFFAOYSA-N 1 2 311.385 3.891 50 0 DHAALO CC[C@H](NC(=O)C[N@H+](C)Cc1ccc(C)o1)c1ccc(C)cc1 ZINC000015296540 563409160 /nfs/dbraw/zinc/40/91/60/563409160.db2.gz MHGPPZLDLUTXKV-SFHVURJKSA-N 1 2 314.429 3.596 50 0 DHAALO CC[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C)o1)c1ccc(C)cc1 ZINC000015296540 563409161 /nfs/dbraw/zinc/40/91/61/563409161.db2.gz MHGPPZLDLUTXKV-SFHVURJKSA-N 1 2 314.429 3.596 50 0 DHAALO CC(C)(C)c1cc(Cl)ccc1OCCOCCn1cc[nH+]c1 ZINC000012381567 563419256 /nfs/dbraw/zinc/41/92/56/563419256.db2.gz PIRWRWQULCJIBS-UHFFFAOYSA-N 1 2 322.836 3.930 50 0 DHAALO O=C(Nc1ccc(F)cc1)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000011009116 563426069 /nfs/dbraw/zinc/42/60/69/563426069.db2.gz BZRJRJNUVVFOPJ-MRXNPFEDSA-N 1 2 324.359 3.654 50 0 DHAALO COc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccco3)o2)cc1 ZINC000030276446 563437086 /nfs/dbraw/zinc/43/70/86/563437086.db2.gz JPRLXLPDZCBBLT-GFCCVEGCSA-N 1 2 313.357 3.531 50 0 DHAALO COc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccco3)o2)cc1 ZINC000030276446 563437088 /nfs/dbraw/zinc/43/70/88/563437088.db2.gz JPRLXLPDZCBBLT-GFCCVEGCSA-N 1 2 313.357 3.531 50 0 DHAALO Cc1cccc(N2CC[NH+](Cc3c(F)cccc3F)CC2)c1C ZINC000055142249 563471911 /nfs/dbraw/zinc/47/19/11/563471911.db2.gz NUUPTKURZOSYDX-UHFFFAOYSA-N 1 2 316.395 3.904 50 0 DHAALO COc1ccccc1C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C1CC1 ZINC000055198972 563472773 /nfs/dbraw/zinc/47/27/73/563472773.db2.gz VNBRLWMHTSTQLZ-UHFFFAOYSA-N 1 2 313.445 3.880 50 0 DHAALO COc1ccccc1C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)C1CC1 ZINC000055198972 563472779 /nfs/dbraw/zinc/47/27/79/563472779.db2.gz VNBRLWMHTSTQLZ-UHFFFAOYSA-N 1 2 313.445 3.880 50 0 DHAALO CC(C)c1ccc2c(c1)CCCN2C(=O)CCCn1cc[nH+]c1 ZINC000058010398 563477658 /nfs/dbraw/zinc/47/76/58/563477658.db2.gz HQRJGZPQXYCYAV-UHFFFAOYSA-N 1 2 311.429 3.766 50 0 DHAALO CCC[C@H](NC(=O)c1cc2ccccc2s1)c1[nH+]ccn1C ZINC000067788583 563490463 /nfs/dbraw/zinc/49/04/63/563490463.db2.gz LHBKUNINWHOVSV-ZDUSSCGKSA-N 1 2 313.426 3.906 50 0 DHAALO Cc1ccc2[nH]c([C@H](C(C)C)n3cc4[nH]cccc-4c3=O)[nH+]c2c1 ZINC000067821118 563491457 /nfs/dbraw/zinc/49/14/57/563491457.db2.gz ACXOESGQVZQNKU-KRWDZBQOSA-N 1 2 320.396 3.619 50 0 DHAALO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](C(=O)c2cccs2)C1 ZINC000067821646 563491645 /nfs/dbraw/zinc/49/16/45/563491645.db2.gz SAHSWAOEVNOPER-AWEZNQCLSA-N 1 2 317.458 3.620 50 0 DHAALO CC(C)n1ccnc1C[N@H+]1CCC[C@H](C(=O)c2cccs2)C1 ZINC000067821646 563491647 /nfs/dbraw/zinc/49/16/47/563491647.db2.gz SAHSWAOEVNOPER-AWEZNQCLSA-N 1 2 317.458 3.620 50 0 DHAALO CC(C)n1cc[nH+]c1CN1CCC[C@H](C(=O)c2cccs2)C1 ZINC000067821646 563491652 /nfs/dbraw/zinc/49/16/52/563491652.db2.gz SAHSWAOEVNOPER-AWEZNQCLSA-N 1 2 317.458 3.620 50 0 DHAALO Cc1cccc(-n2cnnc2[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000067805584 563491729 /nfs/dbraw/zinc/49/17/29/563491729.db2.gz MGSWEXGAGVHNPD-GOSISDBHSA-N 1 2 304.397 3.523 50 0 DHAALO Cc1cccc(-n2cnnc2[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000067805584 563491733 /nfs/dbraw/zinc/49/17/33/563491733.db2.gz MGSWEXGAGVHNPD-GOSISDBHSA-N 1 2 304.397 3.523 50 0 DHAALO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCSCC1 ZINC000067885084 563493104 /nfs/dbraw/zinc/49/31/04/563493104.db2.gz DYHSXGYNOIXSNY-UHFFFAOYSA-N 1 2 308.834 3.852 50 0 DHAALO c1ccc(-c2n[nH]c(Cn3c4ccccc4[nH+]c3C3CC3)n2)cc1 ZINC000067880202 563493257 /nfs/dbraw/zinc/49/32/57/563493257.db2.gz NPXSQLSVDOPXQU-UHFFFAOYSA-N 1 2 315.380 3.747 50 0 DHAALO CC[C@@H](Cc1cccs1)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000097143564 563506616 /nfs/dbraw/zinc/50/66/16/563506616.db2.gz SIKGULZRAPRYIX-GOEBONIOSA-N 1 2 303.427 3.573 50 0 DHAALO CC[C@@H](Cc1cccs1)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000097143562 563506689 /nfs/dbraw/zinc/50/66/89/563506689.db2.gz SIKGULZRAPRYIX-HOCLYGCPSA-N 1 2 303.427 3.573 50 0 DHAALO CC(C)n1c[nH+]cc1CN(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000097532332 563540438 /nfs/dbraw/zinc/54/04/38/563540438.db2.gz KNTUCKKIJZVKIN-UHFFFAOYSA-N 1 2 317.824 3.626 50 0 DHAALO Clc1ccc(Nc2ccc(-n3cc[nH+]c3)nn2)cc1Cl ZINC000000387067 563595029 /nfs/dbraw/zinc/59/50/29/563595029.db2.gz CENQALGCQDZJLK-UHFFFAOYSA-N 1 2 306.156 3.713 50 0 aggregator DHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N(C)C2CCCCC2)c1 ZINC000000426416 563613415 /nfs/dbraw/zinc/61/34/15/563613415.db2.gz PUNCPSWOZYMXMD-UHFFFAOYSA-N 1 2 321.428 3.893 50 0 DHAALO Cc1c([C@H](C)[NH2+]Cc2cscn2)cnn1-c1ccc(F)cc1 ZINC000062260071 563622130 /nfs/dbraw/zinc/62/21/30/563622130.db2.gz FEPGWBXZCJTUHP-NSHDSACASA-N 1 2 316.405 3.627 50 0 DHAALO C[C@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1cc[nH+]c1 ZINC000048333354 563696541 /nfs/dbraw/zinc/69/65/41/563696541.db2.gz KJGZGQWPECOTKO-DOMZBBRYSA-N 1 2 303.431 3.553 50 0 DHAALO Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/[NH+](C)C ZINC000049952267 563702383 /nfs/dbraw/zinc/70/23/83/563702383.db2.gz RHBYHXLJTKFAOR-CMDGGOBGSA-N 1 2 320.849 3.658 50 0 DHAALO c1csc([C@@H]2CCCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000215165650 563703961 /nfs/dbraw/zinc/70/39/61/563703961.db2.gz MKWOCSCSHFJKRR-AWEZNQCLSA-N 1 2 314.414 3.853 50 0 DHAALO c1csc([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000215165650 563703966 /nfs/dbraw/zinc/70/39/66/563703966.db2.gz MKWOCSCSHFJKRR-AWEZNQCLSA-N 1 2 314.414 3.853 50 0 DHAALO Fc1cccc(OC[C@@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000215410114 563705109 /nfs/dbraw/zinc/70/51/09/563705109.db2.gz SPNADOPFIVMAOW-CYBMUJFWSA-N 1 2 306.406 3.573 50 0 DHAALO Fc1cccc(OC[C@@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000215410114 563705111 /nfs/dbraw/zinc/70/51/11/563705111.db2.gz SPNADOPFIVMAOW-CYBMUJFWSA-N 1 2 306.406 3.573 50 0 DHAALO Fc1cccc(OC[C@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000215410155 563705569 /nfs/dbraw/zinc/70/55/69/563705569.db2.gz SPNADOPFIVMAOW-ZDUSSCGKSA-N 1 2 306.406 3.573 50 0 DHAALO Fc1cccc(OC[C@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000215410155 563705573 /nfs/dbraw/zinc/70/55/73/563705573.db2.gz SPNADOPFIVMAOW-ZDUSSCGKSA-N 1 2 306.406 3.573 50 0 DHAALO CC[C@H](C)Sc1ncc(C[N@H+](C)Cc2c(C)noc2C)cn1 ZINC000216186950 563708119 /nfs/dbraw/zinc/70/81/19/563708119.db2.gz MYEBCXZZBGQCBT-NSHDSACASA-N 1 2 320.462 3.604 50 0 DHAALO CC[C@H](C)Sc1ncc(C[N@@H+](C)Cc2c(C)noc2C)cn1 ZINC000216186950 563708122 /nfs/dbraw/zinc/70/81/22/563708122.db2.gz MYEBCXZZBGQCBT-NSHDSACASA-N 1 2 320.462 3.604 50 0 DHAALO c1csc([C@@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)c2)n1 ZINC000216315693 563709103 /nfs/dbraw/zinc/70/91/03/563709103.db2.gz HGJPOKNAEKOCHU-INIZCTEOSA-N 1 2 310.426 3.666 50 0 DHAALO c1csc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)n1 ZINC000216315693 563709107 /nfs/dbraw/zinc/70/91/07/563709107.db2.gz HGJPOKNAEKOCHU-INIZCTEOSA-N 1 2 310.426 3.666 50 0 DHAALO Cc1nc(N[C@H]2CCCc3ccccc32)cc(C2CC(O)C2)[nH+]1 ZINC000223481178 563733949 /nfs/dbraw/zinc/73/39/49/563733949.db2.gz IKNQOWQGTRZOOR-DQPZFDDXSA-N 1 2 309.413 3.513 50 0 DHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000225416115 563754639 /nfs/dbraw/zinc/75/46/39/563754639.db2.gz PWTGQOZKJIVDEZ-YDHLFZDLSA-N 1 2 317.458 3.510 50 0 DHAALO Cc1nnc(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)o1 ZINC000052685587 563792571 /nfs/dbraw/zinc/79/25/71/563792571.db2.gz WUXUFBJXZFUBOG-QGZVFWFLSA-N 1 2 311.410 3.587 50 0 DHAALO Cc1nnc(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)o1 ZINC000052685587 563792574 /nfs/dbraw/zinc/79/25/74/563792574.db2.gz WUXUFBJXZFUBOG-QGZVFWFLSA-N 1 2 311.410 3.587 50 0 DHAALO Cc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012560418 563801972 /nfs/dbraw/zinc/80/19/72/563801972.db2.gz ISKJCGUXCYCXIP-KRWDZBQOSA-N 1 2 320.396 3.640 50 0 DHAALO OCCOc1ccc([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129486398 563811661 /nfs/dbraw/zinc/81/16/61/563811661.db2.gz XCRHKACKZSNBDG-AAEUAGOBSA-N 1 2 303.324 3.591 50 0 DHAALO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1Cl)c1cccs1 ZINC000012785418 563831261 /nfs/dbraw/zinc/83/12/61/563831261.db2.gz JBVUKXRCGOHVFU-LBPRGKRZSA-N 1 2 322.861 3.711 50 0 DHAALO C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1Cl)c1cccs1 ZINC000012785418 563831262 /nfs/dbraw/zinc/83/12/62/563831262.db2.gz JBVUKXRCGOHVFU-LBPRGKRZSA-N 1 2 322.861 3.711 50 0 DHAALO Fc1ccccc1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000075093228 563859277 /nfs/dbraw/zinc/85/92/77/563859277.db2.gz JACVXWNTGZXPST-UHFFFAOYSA-N 1 2 320.165 3.848 50 0 DHAALO CC(C)c1cccc(NC(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)c1 ZINC000075092582 563859394 /nfs/dbraw/zinc/85/93/94/563859394.db2.gz ISZWEHJFPYQBLI-SJORKVTESA-N 1 2 312.417 3.922 50 0 DHAALO Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)c(C)[nH+]1 ZINC000152211991 563860733 /nfs/dbraw/zinc/86/07/33/563860733.db2.gz JALQKUDDVMOWIA-SFHVURJKSA-N 1 2 309.413 3.841 50 0 DHAALO CC[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000006996533 563900931 /nfs/dbraw/zinc/90/09/31/563900931.db2.gz VCVRRUKVRDGVID-CQSZACIVSA-N 1 2 302.447 3.830 50 0 DHAALO CC[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000006996533 563900933 /nfs/dbraw/zinc/90/09/33/563900933.db2.gz VCVRRUKVRDGVID-CQSZACIVSA-N 1 2 302.447 3.830 50 0 DHAALO CC(C)c1nc(N2CCC(C(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000065562509 563905719 /nfs/dbraw/zinc/90/57/19/563905719.db2.gz HYXIFUZCTZEOBF-UHFFFAOYSA-N 1 2 309.413 3.699 50 0 DHAALO CCc1ccccc1N1CC[N@H+](Cc2cccc(C)c2)[C@@H](C)C1=O ZINC000037275590 563908031 /nfs/dbraw/zinc/90/80/31/563908031.db2.gz VYSBJOSYFZSZQF-KRWDZBQOSA-N 1 2 322.452 3.795 50 0 DHAALO CCc1ccccc1N1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1=O ZINC000037275590 563908033 /nfs/dbraw/zinc/90/80/33/563908033.db2.gz VYSBJOSYFZSZQF-KRWDZBQOSA-N 1 2 322.452 3.795 50 0 DHAALO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)C1)n1cc[nH+]c1-c1ccccc1 ZINC000089923067 563912103 /nfs/dbraw/zinc/91/21/03/563912103.db2.gz IMQQOVKHAUOSBO-INMHGKMJSA-N 1 2 311.429 3.806 50 0 DHAALO Cc1ccc(C(C)(C)C[N@H+](C)Cn2ncsc2=S)cc1 ZINC000170641100 563913961 /nfs/dbraw/zinc/91/39/61/563913961.db2.gz VOJKBIQBRCLALV-UHFFFAOYSA-N 1 2 307.488 3.850 50 0 DHAALO Cc1ccc(C(C)(C)C[N@@H+](C)Cn2ncsc2=S)cc1 ZINC000170641100 563913963 /nfs/dbraw/zinc/91/39/63/563913963.db2.gz VOJKBIQBRCLALV-UHFFFAOYSA-N 1 2 307.488 3.850 50 0 DHAALO CCCOc1cccc2c(N[C@@H]3CCCn4ncnc43)cc[nH+]c12 ZINC000194725630 563917960 /nfs/dbraw/zinc/91/79/60/563917960.db2.gz PTZABSOIAILELF-OAHLLOKOSA-N 1 2 323.400 3.562 50 0 DHAALO Cc1cc(N(C)Cc2nc(-c3ccccc3)c[nH]2)nc(C2CC2)[nH+]1 ZINC000095966901 563932971 /nfs/dbraw/zinc/93/29/71/563932971.db2.gz RLAYSVCFZFDFJE-UHFFFAOYSA-N 1 2 319.412 3.689 50 0 DHAALO CCc1nc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)co1 ZINC000096012014 563934865 /nfs/dbraw/zinc/93/48/65/563934865.db2.gz DQIUHINCPJPZCT-UHFFFAOYSA-N 1 2 309.325 3.677 50 0 DHAALO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccnc3)no2)cc1 ZINC000055528401 563936372 /nfs/dbraw/zinc/93/63/72/563936372.db2.gz GEIGLZKIRHJTRI-INIZCTEOSA-N 1 2 324.359 3.608 50 0 DHAALO Fc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccnc3)no2)cc1 ZINC000055528401 563936374 /nfs/dbraw/zinc/93/63/74/563936374.db2.gz GEIGLZKIRHJTRI-INIZCTEOSA-N 1 2 324.359 3.608 50 0 DHAALO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)o1)c1ccco1 ZINC000225575419 563938014 /nfs/dbraw/zinc/93/80/14/563938014.db2.gz IGXQGKMEMFCRFN-UWVGGRQHSA-N 1 2 314.179 3.673 50 0 DHAALO Cc1cc(N)nc(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)[nH+]1 ZINC000031745687 563944792 /nfs/dbraw/zinc/94/47/92/563944792.db2.gz SBDRMSZJAPTFPD-CYBMUJFWSA-N 1 2 315.442 3.656 50 0 DHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000008118276 563946761 /nfs/dbraw/zinc/94/67/61/563946761.db2.gz YCJXVUMOBJUAKT-CYBMUJFWSA-N 1 2 314.816 3.725 50 0 DHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000008118276 563946762 /nfs/dbraw/zinc/94/67/62/563946762.db2.gz YCJXVUMOBJUAKT-CYBMUJFWSA-N 1 2 314.816 3.725 50 0 DHAALO CC1CCC([N@H+](Cn2nc(C(C)(C)C)ccc2=O)C2CC2)CC1 ZINC000066792601 563947727 /nfs/dbraw/zinc/94/77/27/563947727.db2.gz RZDLAOCRTHAKAZ-UHFFFAOYSA-N 1 2 317.477 3.541 50 0 DHAALO CC1CCC([N@@H+](Cn2nc(C(C)(C)C)ccc2=O)C2CC2)CC1 ZINC000066792601 563947728 /nfs/dbraw/zinc/94/77/28/563947728.db2.gz RZDLAOCRTHAKAZ-UHFFFAOYSA-N 1 2 317.477 3.541 50 0 DHAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(F)cc1F ZINC000008320417 563947792 /nfs/dbraw/zinc/94/77/92/563947792.db2.gz LSZBISJNCIXSDX-CQSZACIVSA-N 1 2 322.380 3.802 50 0 DHAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(F)cc1F ZINC000008320417 563947793 /nfs/dbraw/zinc/94/77/93/563947793.db2.gz LSZBISJNCIXSDX-CQSZACIVSA-N 1 2 322.380 3.802 50 0 DHAALO COc1ccc(C)cc1NC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000009157422 563953734 /nfs/dbraw/zinc/95/37/34/563953734.db2.gz JDSVAPSVQTXTFI-UHFFFAOYSA-N 1 2 323.396 3.609 50 0 DHAALO c1csc([C@H]2c3ccsc3CC[N@H+]2Cc2ccno2)c1 ZINC000069740535 563954337 /nfs/dbraw/zinc/95/43/37/563954337.db2.gz PFISMRJCBDIUNA-OAHLLOKOSA-N 1 2 302.424 3.945 50 0 DHAALO c1csc([C@H]2c3ccsc3CC[N@@H+]2Cc2ccno2)c1 ZINC000069740535 563954338 /nfs/dbraw/zinc/95/43/38/563954338.db2.gz PFISMRJCBDIUNA-OAHLLOKOSA-N 1 2 302.424 3.945 50 0 DHAALO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2ncc(C(C)(C)C)o2)c1 ZINC000069706117 563954344 /nfs/dbraw/zinc/95/43/44/563954344.db2.gz ONFGSERZOPDNQR-HNNXBMFYSA-N 1 2 316.449 3.532 50 0 DHAALO Cc1cnn(C[C@@H]2CCCC[N@H+]2Cc2ncc(C(C)(C)C)o2)c1 ZINC000069706117 563954345 /nfs/dbraw/zinc/95/43/45/563954345.db2.gz ONFGSERZOPDNQR-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/84/17/57/1022841757.db2.gz REVNKJMPMDSWAO-CQSZACIVSA-N 1 2 314.454 3.923 50 0 DHAALO CC[C@H]1C[N@H+](Cc2cccnc2)Cc2ccc(Cl)cc2O1 ZINC000299787879 1023302914 /nfs/dbraw/zinc/30/29/14/1023302914.db2.gz SQSQLWLYSJGGQS-INIZCTEOSA-N 1 2 302.805 3.908 50 0 DHAALO CC[C@H]1C[N@@H+](Cc2cccnc2)Cc2ccc(Cl)cc2O1 ZINC000299787879 1023302920 /nfs/dbraw/zinc/30/29/20/1023302920.db2.gz SQSQLWLYSJGGQS-INIZCTEOSA-N 1 2 302.805 3.908 50 0 DHAALO CCCn1ncc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1C ZINC000214978225 1024518676 /nfs/dbraw/zinc/51/86/76/1024518676.db2.gz ALWAEZNXLYXBNU-OAHLLOKOSA-N 1 2 304.463 3.785 50 0 DHAALO CCCn1ncc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1C ZINC000214978225 1024518683 /nfs/dbraw/zinc/51/86/83/1024518683.db2.gz ALWAEZNXLYXBNU-OAHLLOKOSA-N 1 2 304.463 3.785 50 0 DHAALO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000090227308 185287541 /nfs/dbraw/zinc/28/75/41/185287541.db2.gz YLAKEFZLIBJFOP-ZWKOPEQDSA-N 1 2 320.487 3.698 50 0 DHAALO Cc1ccc(C=Cc2nn(C[N@H+]3CCC[C@H](C)C3)c(=S)[nH]2)o1 ZINC000096973110 185395139 /nfs/dbraw/zinc/39/51/39/185395139.db2.gz JCDPTNXRJLORIX-KRZKBDHCSA-N 1 2 318.446 3.702 50 0 DHAALO Cc1ccc(C=Cc2nn(C[N@@H+]3CCC[C@H](C)C3)c(=S)[nH]2)o1 ZINC000096973110 185395140 /nfs/dbraw/zinc/39/51/40/185395140.db2.gz JCDPTNXRJLORIX-KRZKBDHCSA-N 1 2 318.446 3.702 50 0 DHAALO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(Cc2ccccc2)CCC1 ZINC000095411722 185357422 /nfs/dbraw/zinc/35/74/22/185357422.db2.gz DKYXWYNRQADHKH-KRWDZBQOSA-N 1 2 323.440 3.529 50 0 DHAALO Fc1cccc(-c2nc(CN3CCC[C@@H]3c3[nH]cc[nH+]3)co2)c1 ZINC000095459758 185370583 /nfs/dbraw/zinc/37/05/83/185370583.db2.gz SEABHXFLSMAIJM-OAHLLOKOSA-N 1 2 312.348 3.541 50 0 DHAALO C[C@@H]([NH2+]Cc1cccn1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080342441 192150318 /nfs/dbraw/zinc/15/03/18/192150318.db2.gz HQOWGNYBTYBXES-LLVKDONJSA-N 1 2 316.792 3.579 50 0 DHAALO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1c(C)noc1C ZINC000083840195 192385674 /nfs/dbraw/zinc/38/56/74/192385674.db2.gz RFHJJFRNRXHJPP-GOSISDBHSA-N 1 2 324.428 3.998 50 0 DHAALO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1c(C)noc1C ZINC000083840195 192385677 /nfs/dbraw/zinc/38/56/77/192385677.db2.gz RFHJJFRNRXHJPP-GOSISDBHSA-N 1 2 324.428 3.998 50 0 DHAALO FC(F)(F)c1ccc(-c2[nH+]ccn2CC2CCOCC2)cc1 ZINC000071721578 191014697 /nfs/dbraw/zinc/01/46/97/191014697.db2.gz STVPRHIRJWJHKU-UHFFFAOYSA-N 1 2 310.319 3.996 50 0 DHAALO Cc1ccn2cc(CN3CCO[C@H](CCCC(C)C)C3)[nH+]c2c1 ZINC000071765189 191027023 /nfs/dbraw/zinc/02/70/23/191027023.db2.gz BYBFKOBJJVGEOI-GOSISDBHSA-N 1 2 315.461 3.670 50 0 DHAALO c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000072140386 191048487 /nfs/dbraw/zinc/04/84/87/191048487.db2.gz MILMWLHNLTYERR-LJQANCHMSA-N 1 2 318.424 3.664 50 0 DHAALO c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000072140386 191048489 /nfs/dbraw/zinc/04/84/89/191048489.db2.gz MILMWLHNLTYERR-LJQANCHMSA-N 1 2 318.424 3.664 50 0 DHAALO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072165590 191065058 /nfs/dbraw/zinc/06/50/58/191065058.db2.gz XMDCHRQHFOFTQK-OAHLLOKOSA-N 1 2 312.442 3.973 50 0 DHAALO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072165590 191065060 /nfs/dbraw/zinc/06/50/60/191065060.db2.gz XMDCHRQHFOFTQK-OAHLLOKOSA-N 1 2 312.442 3.973 50 0 DHAALO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072165590 191065062 /nfs/dbraw/zinc/06/50/62/191065062.db2.gz XMDCHRQHFOFTQK-OAHLLOKOSA-N 1 2 312.442 3.973 50 0 DHAALO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072165590 191065064 /nfs/dbraw/zinc/06/50/64/191065064.db2.gz XMDCHRQHFOFTQK-OAHLLOKOSA-N 1 2 312.442 3.973 50 0 DHAALO Brc1cc2cccnc2c(COc2cc[nH+]cc2)c1 ZINC000225605198 186282618 /nfs/dbraw/zinc/28/26/18/186282618.db2.gz QZVRBXDASMZTIV-UHFFFAOYSA-N 1 2 315.170 3.971 50 0 DHAALO Clc1ccccc1-c1nnc(SCCCn2cc[nH+]c2)o1 ZINC000180437309 199159573 /nfs/dbraw/zinc/15/95/73/199159573.db2.gz ZQHQPTICNBNVFS-UHFFFAOYSA-N 1 2 320.805 3.769 50 0 DHAALO Cc1cc2cc(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)oc2cc1C ZINC000239667836 202454309 /nfs/dbraw/zinc/45/43/09/202454309.db2.gz BRRSQDHBOUZSKE-CQSZACIVSA-N 1 2 309.369 3.750 50 0 DHAALO Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000006647916 181364394 /nfs/dbraw/zinc/36/43/94/181364394.db2.gz LFXYTJMPRONPGJ-OAHLLOKOSA-N 1 2 305.381 3.672 50 0 DHAALO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2Cl)c1 ZINC000006881010 181399995 /nfs/dbraw/zinc/39/99/95/181399995.db2.gz YVVKOYGWWOTRAS-UHFFFAOYSA-N 1 2 302.805 3.719 50 0 DHAALO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2Cl)c1 ZINC000006881010 181399998 /nfs/dbraw/zinc/39/99/98/181399998.db2.gz YVVKOYGWWOTRAS-UHFFFAOYSA-N 1 2 302.805 3.719 50 0 DHAALO COc1ccc(-c2nc3c([nH]2)C[N@H+](Cc2ccc(C)o2)CC3)cc1 ZINC000096151890 193553875 /nfs/dbraw/zinc/55/38/75/193553875.db2.gz HBIPULUOEIDNCP-UHFFFAOYSA-N 1 2 323.396 3.545 50 0 DHAALO COc1ccc(-c2nc3c([nH]2)C[N@@H+](Cc2ccc(C)o2)CC3)cc1 ZINC000096151890 193553877 /nfs/dbraw/zinc/55/38/77/193553877.db2.gz HBIPULUOEIDNCP-UHFFFAOYSA-N 1 2 323.396 3.545 50 0 DHAALO Cc1cc(Br)ccc1OCCCCn1cc[nH+]c1 ZINC000016193244 182036485 /nfs/dbraw/zinc/03/64/85/182036485.db2.gz GYTHDPFSGYAKNA-UHFFFAOYSA-N 1 2 309.207 3.813 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCC(C)C)cc1C ZINC000017120396 182076023 /nfs/dbraw/zinc/07/60/23/182076023.db2.gz MFVGGTAAKLNXFO-UHFFFAOYSA-N 1 2 309.417 3.890 50 0 DHAALO CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017268795 182080962 /nfs/dbraw/zinc/08/09/62/182080962.db2.gz OHCRWPOCZOYTED-JTQLQIEISA-N 1 2 301.781 3.679 50 0 DHAALO Cc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019358857 182117485 /nfs/dbraw/zinc/11/74/85/182117485.db2.gz OIVTXSATSCRPAF-VMPITWQZSA-N 1 2 306.453 3.826 50 0 DHAALO Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019781961 182148401 /nfs/dbraw/zinc/14/84/01/182148401.db2.gz HBQXXSPZHUMUJK-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000019781961 182148403 /nfs/dbraw/zinc/14/84/03/182148403.db2.gz HBQXXSPZHUMUJK-UHFFFAOYSA-N 1 2 318.823 3.797 50 0 DHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(O)c2)no1 ZINC000021720169 182286213 /nfs/dbraw/zinc/28/62/13/182286213.db2.gz LPPCPTOUZCBGCW-MRXNPFEDSA-N 1 2 316.401 3.678 50 0 DHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(O)c2)no1 ZINC000021720169 182286215 /nfs/dbraw/zinc/28/62/15/182286215.db2.gz LPPCPTOUZCBGCW-MRXNPFEDSA-N 1 2 316.401 3.678 50 0 DHAALO CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3)n2)cc1 ZINC000040063023 183030927 /nfs/dbraw/zinc/03/09/27/183030927.db2.gz JEWLVCFEWQWZSU-UHFFFAOYSA-N 1 2 323.396 3.767 50 0 DHAALO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3)n2)cc1 ZINC000040063023 183030928 /nfs/dbraw/zinc/03/09/28/183030928.db2.gz JEWLVCFEWQWZSU-UHFFFAOYSA-N 1 2 323.396 3.767 50 0 DHAALO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1ccccn1 ZINC000040156296 183040598 /nfs/dbraw/zinc/04/05/98/183040598.db2.gz DNAXSIKBFFNOTF-UHFFFAOYSA-N 1 2 318.380 3.534 50 0 DHAALO CCOCCCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000042230948 183244710 /nfs/dbraw/zinc/24/47/10/183244710.db2.gz ZREKCSVRDWVJPN-UHFFFAOYSA-N 1 2 315.417 3.518 50 0 DHAALO CC(C)[C@H](Sc1[nH+]cc2ccccn21)C(=O)NC1CCCC1 ZINC000042992114 183326433 /nfs/dbraw/zinc/32/64/33/183326433.db2.gz IYDOGEPTOQDCKO-HNNXBMFYSA-N 1 2 317.458 3.510 50 0 DHAALO CCN(CC)c1cc(CCC(=O)Nc2cccc(C)c2)cc[nH+]1 ZINC000065269919 184320290 /nfs/dbraw/zinc/32/02/90/184320290.db2.gz FHOVAHZFXWXPKP-UHFFFAOYSA-N 1 2 311.429 3.808 50 0 DHAALO Clc1ccc(-c2ccc(C[NH+]3CCOCC3)cn2)cc1Cl ZINC000065461208 184349086 /nfs/dbraw/zinc/34/90/86/184349086.db2.gz SBCNPCKWEBIOKP-UHFFFAOYSA-N 1 2 323.223 3.888 50 0 DHAALO Cc1nc([C@@H](C)[N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)c(C)s1 ZINC000065399255 184336724 /nfs/dbraw/zinc/33/67/24/184336724.db2.gz IRBGNWIRAGIQOE-SNVBAGLBSA-N 1 2 316.430 3.936 50 0 DHAALO Cc1nc([C@@H](C)[N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)c(C)s1 ZINC000065399255 184336726 /nfs/dbraw/zinc/33/67/26/184336726.db2.gz IRBGNWIRAGIQOE-SNVBAGLBSA-N 1 2 316.430 3.936 50 0 DHAALO Cc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nccs1)OCO2 ZINC000216502968 257273762 /nfs/dbraw/zinc/27/37/62/257273762.db2.gz YGLUOHXVLIMTKW-AWEZNQCLSA-N 1 2 316.426 3.907 50 0 DHAALO Cc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nccs1)OCO2 ZINC000216502968 257273763 /nfs/dbraw/zinc/27/37/63/257273763.db2.gz YGLUOHXVLIMTKW-AWEZNQCLSA-N 1 2 316.426 3.907 50 0 DHAALO Cc1[nH]ccc1C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000272582998 130044015 /nfs/dbraw/zinc/04/40/15/130044015.db2.gz YKZLDVYWEGYCHW-ZDUSSCGKSA-N 1 2 312.417 3.658 50 0 DHAALO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)c2nc(C(C)C)no2)o1 ZINC000131124930 523023594 /nfs/dbraw/zinc/02/35/94/523023594.db2.gz LYYSSYPJWOYOES-TZMCWYRMSA-N 1 2 319.405 3.831 50 0 DHAALO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)c2nc(C(C)C)no2)o1 ZINC000131124930 523023603 /nfs/dbraw/zinc/02/36/03/523023603.db2.gz LYYSSYPJWOYOES-TZMCWYRMSA-N 1 2 319.405 3.831 50 0 DHAALO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(F)c1 ZINC000013072788 563929347 /nfs/dbraw/zinc/92/93/47/563929347.db2.gz PRBBHLSWGCSPDP-UHFFFAOYSA-N 1 2 306.768 3.550 50 0 DHAALO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(F)c1 ZINC000013072788 563929348 /nfs/dbraw/zinc/92/93/48/563929348.db2.gz PRBBHLSWGCSPDP-UHFFFAOYSA-N 1 2 306.768 3.550 50 0 DHAALO O=C(C[NH+]1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000000153366 563225346 /nfs/dbraw/zinc/22/53/46/563225346.db2.gz MNQWPAYJIRUGMP-UHFFFAOYSA-N 1 2 320.742 3.783 50 0 DHAALO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000000563618 563266718 /nfs/dbraw/zinc/26/67/18/563266718.db2.gz FCWPVQZSACGZDU-UHFFFAOYSA-N 1 2 315.442 3.543 50 0 DHAALO NNc1nc(C(F)(F)F)cc(-c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000002554075 563309187 /nfs/dbraw/zinc/30/91/87/563309187.db2.gz OCIWSXCVJKIAKX-UHFFFAOYSA-N 1 2 323.105 3.755 50 0 DHAALO CC(C)[C@H]1C[N@H+](Cc2ccccc2)[C@@H]2c3ccccc3C(=O)N21 ZINC000032602388 563371735 /nfs/dbraw/zinc/37/17/35/563371735.db2.gz DJNISVWULMFWDD-MOPGFXCFSA-N 1 2 306.409 3.681 50 0 DHAALO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)[C@@H]2c3ccccc3C(=O)N21 ZINC000032602388 563371737 /nfs/dbraw/zinc/37/17/37/563371737.db2.gz DJNISVWULMFWDD-MOPGFXCFSA-N 1 2 306.409 3.681 50 0 DHAALO COc1ccc(C2C(C)=Nc3ccccc3NC2=[NH2+])cc1OC ZINC000013637103 563384272 /nfs/dbraw/zinc/38/42/72/563384272.db2.gz ZKRWZTXUDUXVHH-UHFFFAOYSA-N 1 2 309.369 3.549 50 0 DHAALO Fc1ccccc1Nc1nn(C[NH+]2CCCC2)c(=S)s1 ZINC000025285872 563422308 /nfs/dbraw/zinc/42/23/08/563422308.db2.gz SMSLFODGVTUPFY-UHFFFAOYSA-N 1 2 310.423 3.610 50 0 DHAALO CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1Cl)C(C)C ZINC000071920735 563469955 /nfs/dbraw/zinc/46/99/55/563469955.db2.gz CQXAVYFEJWXMED-CQSZACIVSA-N 1 2 310.869 3.806 50 0 DHAALO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1Cl)C(C)C ZINC000071920735 563469958 /nfs/dbraw/zinc/46/99/58/563469958.db2.gz CQXAVYFEJWXMED-CQSZACIVSA-N 1 2 310.869 3.806 50 0 DHAALO Cc1cccc(-c2noc(C[N@H+](C)C/C=C/c3ccco3)n2)c1 ZINC000055254427 563472617 /nfs/dbraw/zinc/47/26/17/563472617.db2.gz PSQZSWIASUUQIB-XBXARRHUSA-N 1 2 309.369 3.783 50 0 DHAALO Cc1cccc(-c2noc(C[N@@H+](C)C/C=C/c3ccco3)n2)c1 ZINC000055254427 563472618 /nfs/dbraw/zinc/47/26/18/563472618.db2.gz PSQZSWIASUUQIB-XBXARRHUSA-N 1 2 309.369 3.783 50 0 DHAALO Fc1ccc(F)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055291838 563473400 /nfs/dbraw/zinc/47/34/00/563473400.db2.gz PTVZWPDDSROPLV-UHFFFAOYSA-N 1 2 322.786 3.940 50 0 DHAALO CC(=O)Oc1c(C)cc(C[N@@H+](C)[C@H](C)c2nccs2)cc1C ZINC000055371290 563474797 /nfs/dbraw/zinc/47/47/97/563474797.db2.gz HVWOBEMLXNWSBK-CYBMUJFWSA-N 1 2 318.442 3.878 50 0 DHAALO CC(=O)Oc1c(C)cc(C[N@H+](C)[C@H](C)c2nccs2)cc1C ZINC000055371290 563474801 /nfs/dbraw/zinc/47/48/01/563474801.db2.gz HVWOBEMLXNWSBK-CYBMUJFWSA-N 1 2 318.442 3.878 50 0 DHAALO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)c1 ZINC000058341254 563478813 /nfs/dbraw/zinc/47/88/13/563478813.db2.gz CFMVLOPCRXCFIY-INIZCTEOSA-N 1 2 308.385 3.710 50 0 DHAALO Cc1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)c1 ZINC000058341254 563478816 /nfs/dbraw/zinc/47/88/16/563478816.db2.gz CFMVLOPCRXCFIY-INIZCTEOSA-N 1 2 308.385 3.710 50 0 DHAALO CSc1ccc(O[C@@H](C)C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000096419274 563480641 /nfs/dbraw/zinc/48/06/41/563480641.db2.gz FVXHLUJCWXWMTF-LBPRGKRZSA-N 1 2 302.399 3.518 50 0 DHAALO OCCCn1c[nH+]c(-c2ccccc2)c1CCc1ccccc1 ZINC000063834194 563485503 /nfs/dbraw/zinc/48/55/03/563485503.db2.gz DVOKCHASXSXRKH-UHFFFAOYSA-N 1 2 306.409 3.718 50 0 DHAALO CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1[nH+]ccn1C ZINC000067788587 563490380 /nfs/dbraw/zinc/49/03/80/563490380.db2.gz LHBKUNINWHOVSV-CYBMUJFWSA-N 1 2 313.426 3.906 50 0 DHAALO COCCCn1cc[nH+]c1-c1c(C)cc(C)c(C(C)=O)c1C ZINC000067868249 563492252 /nfs/dbraw/zinc/49/22/52/563492252.db2.gz MQRHVEKPQMWWPQ-UHFFFAOYSA-N 1 2 300.402 3.714 50 0 DHAALO c1cnn(Cc2ccc(-c3[nH+]ccn3Cc3ccsc3)cc2)c1 ZINC000067948111 563493974 /nfs/dbraw/zinc/49/39/74/563493974.db2.gz DUSISOWGSHBVRW-UHFFFAOYSA-N 1 2 320.421 3.905 50 0 DHAALO CCOc1ccc(F)cc1[C@]1(O)C(=[NH2+])Nc2ccc(Cl)cc21 ZINC000068267792 563494664 /nfs/dbraw/zinc/49/46/64/563494664.db2.gz AUZAOHTZCMKRJQ-INIZCTEOSA-N 1 2 320.751 3.516 50 0 in-vivo DHAALO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)c3nnc(C)o3)c(C)c2c1 ZINC000097112128 563505992 /nfs/dbraw/zinc/50/59/92/563505992.db2.gz WNFWQFFAZCZHGY-MNOVXSKESA-N 1 2 315.373 3.853 50 0 DHAALO CC[C@H](Cc1cccs1)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000097143563 563506991 /nfs/dbraw/zinc/50/69/91/563506991.db2.gz SIKGULZRAPRYIX-ZBFHGGJFSA-N 1 2 303.427 3.573 50 0 DHAALO Cc1ccc(N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)nc1 ZINC000095352440 563528846 /nfs/dbraw/zinc/52/88/46/563528846.db2.gz FMVGRUOMUJIFKU-KRWDZBQOSA-N 1 2 310.445 3.771 50 0 DHAALO C[NH+](C)[C@H](C(=O)NCCCC1CCCC1)c1ccccc1F ZINC000095388774 563530783 /nfs/dbraw/zinc/53/07/83/563530783.db2.gz ZKSARGAEPBDBCC-KRWDZBQOSA-N 1 2 306.425 3.515 50 0 DHAALO C[NH+](C)[C@@H](C(=O)NCCCC1CCCC1)c1ccccc1F ZINC000095388775 563530849 /nfs/dbraw/zinc/53/08/49/563530849.db2.gz ZKSARGAEPBDBCC-QGZVFWFLSA-N 1 2 306.425 3.515 50 0 DHAALO COc1ccc(C(C)=O)cc1C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000072662908 563609977 /nfs/dbraw/zinc/60/99/77/563609977.db2.gz NVOSDOUZQWPDCM-UHFFFAOYSA-N 1 2 318.442 3.688 50 0 DHAALO Cc1ccc([C@H]2CCCCN2c2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000079017343 563617956 /nfs/dbraw/zinc/61/79/56/563617956.db2.gz DNXBAHJVPBKPKD-QGZVFWFLSA-N 1 2 319.412 3.702 50 0 DHAALO COc1ccc2cc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c(Cl)nc2c1 ZINC000012978585 563654494 /nfs/dbraw/zinc/65/44/94/563654494.db2.gz YPVROUROFZGRLL-RYUDHWBXSA-N 1 2 320.820 3.506 50 0 DHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)c1 ZINC000049983001 563702883 /nfs/dbraw/zinc/70/28/83/563702883.db2.gz CMPKRYRYCFPIHG-MRXNPFEDSA-N 1 2 316.401 3.646 50 0 DHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)c1 ZINC000049983001 563702886 /nfs/dbraw/zinc/70/28/86/563702886.db2.gz CMPKRYRYCFPIHG-MRXNPFEDSA-N 1 2 316.401 3.646 50 0 DHAALO CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1[nH]cc(C)[nH+]1 ZINC000215155335 563704017 /nfs/dbraw/zinc/70/40/17/563704017.db2.gz VIXKMGYVRHUJJN-GFCCVEGCSA-N 1 2 311.307 3.618 50 0 DHAALO Cc1nnc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)s1 ZINC000095985435 563768644 /nfs/dbraw/zinc/76/86/44/563768644.db2.gz PSUDKKLZPRQREF-MRVPVSSYSA-N 1 2 301.337 3.716 50 0 DHAALO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC000242100122 563778202 /nfs/dbraw/zinc/77/82/02/563778202.db2.gz WEMHLZJTVOYMRL-KRWDZBQOSA-N 1 2 315.465 3.716 50 0 DHAALO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cn(C(C)C)nc1C ZINC000242100122 563778204 /nfs/dbraw/zinc/77/82/04/563778204.db2.gz WEMHLZJTVOYMRL-KRWDZBQOSA-N 1 2 315.465 3.716 50 0 DHAALO Cc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000051992300 563783442 /nfs/dbraw/zinc/78/34/42/563783442.db2.gz ORANYJSIJRCQLO-CQSZACIVSA-N 1 2 315.417 3.599 50 0 DHAALO O=C(CCc1ccco1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000012575663 563801725 /nfs/dbraw/zinc/80/17/25/563801725.db2.gz NKFALKGMOUAYRV-UHFFFAOYSA-N 1 2 323.396 3.927 50 0 DHAALO CCCCOc1cccc(NC(=O)N(C)Cc2[nH]cc(C)[nH+]2)c1 ZINC000299759360 563804918 /nfs/dbraw/zinc/80/49/18/563804918.db2.gz GPBCHKYHIORNMI-UHFFFAOYSA-N 1 2 316.405 3.561 50 0 DHAALO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000052926410 563810871 /nfs/dbraw/zinc/81/08/71/563810871.db2.gz QNJHHPGKNQKJFO-JKSUJKDBSA-N 1 2 321.355 3.754 50 0 DHAALO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000084131218 563823637 /nfs/dbraw/zinc/82/36/37/563823637.db2.gz XMAZGNJJDOEIJH-GOSISDBHSA-N 1 2 306.413 3.788 50 0 DHAALO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000084131218 563823641 /nfs/dbraw/zinc/82/36/41/563823641.db2.gz XMAZGNJJDOEIJH-GOSISDBHSA-N 1 2 306.413 3.788 50 0 DHAALO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229114021 563871177 /nfs/dbraw/zinc/87/11/77/563871177.db2.gz NEVQKUBIYZLIMZ-NXEZZACHSA-N 1 2 305.344 3.702 50 0 DHAALO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229114021 563871180 /nfs/dbraw/zinc/87/11/80/563871180.db2.gz NEVQKUBIYZLIMZ-NXEZZACHSA-N 1 2 305.344 3.702 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000007200551 563904343 /nfs/dbraw/zinc/90/43/43/563904343.db2.gz 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563918389 /nfs/dbraw/zinc/91/83/89/563918389.db2.gz NOSGUHLNJSWZEV-QGZVFWFLSA-N 1 2 308.425 3.541 50 0 DHAALO Cc1ccc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2=O)cc1C ZINC000037520121 563918388 /nfs/dbraw/zinc/91/83/88/563918388.db2.gz NOSGUHLNJSWZEV-QGZVFWFLSA-N 1 2 308.425 3.541 50 0 DHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc2ccccn2c1 ZINC000281976786 563935758 /nfs/dbraw/zinc/93/57/58/563935758.db2.gz YXTNAXUFAGFNGO-KRWDZBQOSA-N 1 2 322.412 3.523 50 0 DHAALO O[C@H](c1ccc(Cl)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000067373817 563949129 /nfs/dbraw/zinc/94/91/29/563949129.db2.gz RBCMWKKPBFQYFZ-QGZVFWFLSA-N 1 2 302.805 3.685 50 0 DHAALO Cc1ccc(-c2cn3c4ccccc4n(CCCO)c3[nH+]2)cc1 ZINC000039931201 563951382 /nfs/dbraw/zinc/95/13/82/563951382.db2.gz CCQCDHXKCRTKIC-UHFFFAOYSA-N 1 2 305.381 3.647 50 0 DHAALO CCC[C@H](CC(=O)N[C@@H]1CCCc2ccccc21)n1cc[nH+]c1 ZINC000009467111 563956167 /nfs/dbraw/zinc/95/61/67/563956167.db2.gz CNAKWJOKFULJSJ-SJLPKXTDSA-N 1 2 311.429 3.808 50 0 DHAALO CCCN(CC1CC1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077446952 563960681 /nfs/dbraw/zinc/96/06/81/563960681.db2.gz SVPCRJXHIAQZFI-UHFFFAOYSA-N 1 2 312.417 3.741 50 0 DHAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N1CCCC[C@@H](C)C1 ZINC000187619586 1015570122 /nfs/dbraw/zinc/57/01/22/1015570122.db2.gz POHCYTBFQFVMKN-CQSZACIVSA-N 1 2 316.449 3.644 50 0 DHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000581807723 1021849404 /nfs/dbraw/zinc/84/94/04/1021849404.db2.gz MUTHGFCRPGNOKY-GOSISDBHSA-N 1 2 323.440 3.822 50 0 DHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)NC3CCCCC3)C2)n1C(C)C ZINC000581816359 1021854944 /nfs/dbraw/zinc/85/49/44/1021854944.db2.gz VINRPCCDGYNSEV-OAHLLOKOSA-N 1 2 318.465 3.604 50 0 DHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000257178013 1022194654 /nfs/dbraw/zinc/19/46/54/1022194654.db2.gz BLDIUSXBQAYUKU-KRWDZBQOSA-N 1 2 311.429 3.678 50 0 DHAALO CC[C@@H]1C[N@H+](Cc2ccc(CO)o2)Cc2ccc(Cl)cc2O1 ZINC000299756521 1023300249 /nfs/dbraw/zinc/30/02/49/1023300249.db2.gz 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/nfs/dbraw/zinc/35/59/21/192355921.db2.gz VYBKPTHIUJFEJC-SFHVURJKSA-N 1 2 322.412 3.532 50 0 DHAALO CCCn1c(C[NH+]2CCC(c3ccn[nH]3)CC2)nc2ccccc21 ZINC000092810776 185342765 /nfs/dbraw/zinc/34/27/65/185342765.db2.gz YUWOFSSZPOWXID-UHFFFAOYSA-N 1 2 323.444 3.549 50 0 DHAALO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1C ZINC000095393600 185352245 /nfs/dbraw/zinc/35/22/45/185352245.db2.gz XUBUCSWQLNFCNW-HNNXBMFYSA-N 1 2 318.852 3.929 50 0 DHAALO CC(C)c1nnc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1C ZINC000095393600 185352246 /nfs/dbraw/zinc/35/22/46/185352246.db2.gz XUBUCSWQLNFCNW-HNNXBMFYSA-N 1 2 318.852 3.929 50 0 DHAALO Cc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2Br)o1 ZINC000095428170 185362347 /nfs/dbraw/zinc/36/23/47/185362347.db2.gz DYHMSEFFGOWKJL-SNVBAGLBSA-N 1 2 310.191 3.907 50 0 DHAALO Fc1ccccc1-c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000097020538 185398364 /nfs/dbraw/zinc/39/83/64/185398364.db2.gz MROZQSWIWCKLEV-SFHVURJKSA-N 1 2 322.387 3.948 50 0 DHAALO Fc1ccccc1-c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000097020538 185398365 /nfs/dbraw/zinc/39/83/65/185398365.db2.gz MROZQSWIWCKLEV-SFHVURJKSA-N 1 2 322.387 3.948 50 0 DHAALO COc1cc2cc[nH+]cc2cc1OCC(=O)Nc1ccccc1C ZINC000095467724 185372139 /nfs/dbraw/zinc/37/21/39/185372139.db2.gz QRPPFQMKPCGMLF-UHFFFAOYSA-N 1 2 322.364 3.569 50 0 DHAALO Cc1cccn2cc(C[S@](=O)Cc3ccc(Cl)s3)[nH+]c12 ZINC000083944385 192391668 /nfs/dbraw/zinc/39/16/68/192391668.db2.gz XASSPWHNCZZMKR-HXUWFJFHSA-N 1 2 324.858 3.807 50 0 DHAALO Cc1ccc(-c2ccccc2-c2[nH+]ccn2Cc2ccncn2)o1 ZINC000071714705 191010861 /nfs/dbraw/zinc/01/08/61/191010861.db2.gz JXVARNPUIDPSAW-UHFFFAOYSA-N 1 2 316.364 3.957 50 0 DHAALO Cc1nc(C[NH+]2CCC(c3nc4cccc(C)c4[nH]3)CC2)co1 ZINC000072162327 191063352 /nfs/dbraw/zinc/06/33/52/191063352.db2.gz VHHNSKPPMHMJPT-UHFFFAOYSA-N 1 2 310.401 3.547 50 0 DHAALO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1csc(C(C)C)n1 ZINC000072298463 191113376 /nfs/dbraw/zinc/11/33/76/191113376.db2.gz CLMWUQDHCYYBLP-AWEZNQCLSA-N 1 2 304.463 3.650 50 0 DHAALO O=C(c1cccc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000253408445 186308846 /nfs/dbraw/zinc/30/88/46/186308846.db2.gz XYQSCBBPPPLWCS-QGZVFWFLSA-N 1 2 318.376 3.528 50 0 DHAALO c1coc([C@@H]2CCC[N@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000172026412 198028423 /nfs/dbraw/zinc/02/84/23/198028423.db2.gz CRZUAXGNVOMMGI-KRWDZBQOSA-N 1 2 307.397 3.862 50 0 DHAALO c1coc([C@@H]2CCC[N@@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000172026412 198028425 /nfs/dbraw/zinc/02/84/25/198028425.db2.gz CRZUAXGNVOMMGI-KRWDZBQOSA-N 1 2 307.397 3.862 50 0 DHAALO CC(C)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000072423104 191158741 /nfs/dbraw/zinc/15/87/41/191158741.db2.gz KADSUIJRJVZUKV-QGZVFWFLSA-N 1 2 311.429 3.556 50 0 DHAALO C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000003564584 181035073 /nfs/dbraw/zinc/03/50/73/181035073.db2.gz KKZXFHYAKQWHOT-JTQLQIEISA-N 1 2 301.217 3.664 50 0 DHAALO C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000003564584 181035075 /nfs/dbraw/zinc/03/50/75/181035075.db2.gz KKZXFHYAKQWHOT-JTQLQIEISA-N 1 2 301.217 3.664 50 0 DHAALO CC(C)c1[nH+]cc(C(O)(c2ccccc2)c2ccccc2)n1C ZINC000003876383 181051344 /nfs/dbraw/zinc/05/13/44/181051344.db2.gz GXGQRAABLMMBBA-UHFFFAOYSA-N 1 2 306.409 3.828 50 0 DHAALO Cn1c2ccccc2[nH+]c1NCc1cc(-c2ccccc2)n[nH]1 ZINC000004741732 181145345 /nfs/dbraw/zinc/14/53/45/181145345.db2.gz PLRXNKHHXOVADZ-UHFFFAOYSA-N 1 2 303.369 3.576 50 0 DHAALO CCCc1cc(-n2cc[nH+]c2)n2ncc(-c3ccccc3)c2n1 ZINC000005207280 181217204 /nfs/dbraw/zinc/21/72/04/181217204.db2.gz ONPUWRUGUIWNPX-UHFFFAOYSA-N 1 2 303.369 3.535 50 0 DHAALO CCC[C@H](CC(=O)NCc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000005267237 181224286 /nfs/dbraw/zinc/22/42/86/181224286.db2.gz SZHSEZODDYOTKP-OAHLLOKOSA-N 1 2 305.809 3.584 50 0 DHAALO C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000005559730 181257504 /nfs/dbraw/zinc/25/75/04/181257504.db2.gz MNRUUSHNQPOPQH-SNVBAGLBSA-N 1 2 301.217 3.664 50 0 DHAALO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000005559730 181257505 /nfs/dbraw/zinc/25/75/05/181257505.db2.gz MNRUUSHNQPOPQH-SNVBAGLBSA-N 1 2 301.217 3.664 50 0 DHAALO CC(=O)c1c(F)cccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080948899 192204300 /nfs/dbraw/zinc/20/43/00/192204300.db2.gz ZRVSSFWDXJDFEB-UHFFFAOYSA-N 1 2 323.371 3.885 50 0 DHAALO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000006935689 181408114 /nfs/dbraw/zinc/40/81/14/181408114.db2.gz UYGDJVDSLOZSTR-DLBZAZTESA-N 1 2 323.477 3.629 50 0 DHAALO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000006935701 181407650 /nfs/dbraw/zinc/40/76/50/181407650.db2.gz UYGDJVDSLOZSTR-SJORKVTESA-N 1 2 323.477 3.629 50 0 DHAALO COc1ccc(C[N@H+](C)Cc2c(C)noc2C)c(Cl)c1OC ZINC000091812886 193111427 /nfs/dbraw/zinc/11/14/27/193111427.db2.gz FDUZLHOGNAOPOP-UHFFFAOYSA-N 1 2 324.808 3.594 50 0 DHAALO COc1ccc(C[N@@H+](C)Cc2c(C)noc2C)c(Cl)c1OC ZINC000091812886 193111429 /nfs/dbraw/zinc/11/14/29/193111429.db2.gz FDUZLHOGNAOPOP-UHFFFAOYSA-N 1 2 324.808 3.594 50 0 DHAALO CCn1c[nH+]cc1CN1C[C@@](C)(CCC=C(C)C)CCC1=O 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Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019227752 182108990 /nfs/dbraw/zinc/10/89/90/182108990.db2.gz MKQVSLJCVZGIHJ-TXEJJXNPSA-N 1 2 320.820 3.913 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000019840403 182155866 /nfs/dbraw/zinc/15/58/66/182155866.db2.gz CPPZOHQPNCBKBK-QGZVFWFLSA-N 1 2 310.401 3.813 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000019840403 182155868 /nfs/dbraw/zinc/15/58/68/182155868.db2.gz CPPZOHQPNCBKBK-QGZVFWFLSA-N 1 2 310.401 3.813 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000019840403 182155870 /nfs/dbraw/zinc/15/58/70/182155870.db2.gz CPPZOHQPNCBKBK-QGZVFWFLSA-N 1 2 310.401 3.813 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000019840403 182155871 /nfs/dbraw/zinc/15/58/71/182155871.db2.gz CPPZOHQPNCBKBK-QGZVFWFLSA-N 1 2 310.401 3.813 50 0 DHAALO Cc1cc(C)n(-c2cc(NCc3ccccc3Cl)[nH+]cn2)n1 ZINC000021713383 182284855 /nfs/dbraw/zinc/28/48/55/182284855.db2.gz PYVKLMLCDSXXHF-UHFFFAOYSA-N 1 2 313.792 3.545 50 0 DHAALO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1O ZINC000021720163 182285764 /nfs/dbraw/zinc/28/57/64/182285764.db2.gz BNIYIUDIMCQDLQ-OAHLLOKOSA-N 1 2 316.401 3.849 50 0 DHAALO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1O ZINC000021720163 182285766 /nfs/dbraw/zinc/28/57/66/182285766.db2.gz BNIYIUDIMCQDLQ-OAHLLOKOSA-N 1 2 316.401 3.849 50 0 DHAALO CCCNC(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021704919 182284168 /nfs/dbraw/zinc/28/41/68/182284168.db2.gz RIEBASJXDVFLRS-UHFFFAOYSA-N 1 2 322.412 3.880 50 0 DHAALO c1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000023749851 182367857 /nfs/dbraw/zinc/36/78/57/182367857.db2.gz GTEFDIGCQZQTEA-UHFFFAOYSA-N 1 2 309.438 3.619 50 0 DHAALO CC(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)on1 ZINC000024232403 182377412 /nfs/dbraw/zinc/37/74/12/182377412.db2.gz BILIQGANQGMWFA-ZDUSSCGKSA-N 1 2 319.430 3.635 50 0 DHAALO CC(C)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)on1 ZINC000024232403 182377415 /nfs/dbraw/zinc/37/74/15/182377415.db2.gz BILIQGANQGMWFA-ZDUSSCGKSA-N 1 2 319.430 3.635 50 0 DHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2n1 ZINC000023889507 182369611 /nfs/dbraw/zinc/36/96/11/182369611.db2.gz RLIOHXBMGBGZII-UHFFFAOYSA-N 1 2 314.348 3.673 50 0 DHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)cc1 ZINC000040066909 183030484 /nfs/dbraw/zinc/03/04/84/183030484.db2.gz TXHISLOTSPFLTO-HNNXBMFYSA-N 1 2 315.417 3.713 50 0 DHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)cc1 ZINC000040066909 183030487 /nfs/dbraw/zinc/03/04/87/183030487.db2.gz TXHISLOTSPFLTO-HNNXBMFYSA-N 1 2 315.417 3.713 50 0 DHAALO C[N@H+](Cc1nc(Cc2ccccc2)no1)[C@H]1CCc2ccccc21 ZINC000040153525 183040677 /nfs/dbraw/zinc/04/06/77/183040677.db2.gz XVZUDRUGBJEOBK-SFHVURJKSA-N 1 2 319.408 3.780 50 0 DHAALO C[N@@H+](Cc1nc(Cc2ccccc2)no1)[C@H]1CCc2ccccc21 ZINC000040153525 183040679 /nfs/dbraw/zinc/04/06/79/183040679.db2.gz XVZUDRUGBJEOBK-SFHVURJKSA-N 1 2 319.408 3.780 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000042080418 183232008 /nfs/dbraw/zinc/23/20/08/183232008.db2.gz LBCSSMVFWAEKTG-HXUWFJFHSA-N 1 2 319.408 3.612 50 0 DHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2cccs2)c1C ZINC000057352269 184034931 /nfs/dbraw/zinc/03/49/31/184034931.db2.gz HCGYKYCNFQYROI-GFCCVEGCSA-N 1 2 318.442 3.599 50 0 DHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2cccs2)c1C ZINC000057352269 184034932 /nfs/dbraw/zinc/03/49/32/184034932.db2.gz HCGYKYCNFQYROI-GFCCVEGCSA-N 1 2 318.442 3.599 50 0 DHAALO c1nc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cs1 ZINC000058432881 184117614 /nfs/dbraw/zinc/11/76/14/184117614.db2.gz FKVYUPHANAHTBM-QGZVFWFLSA-N 1 2 324.453 3.555 50 0 DHAALO CCOc1ccccc1NC(=O)c1cccn1-c1ccc[nH+]c1C ZINC000064839245 184304334 /nfs/dbraw/zinc/30/43/34/184304334.db2.gz WUGCSCCGHCLERP-UHFFFAOYSA-N 1 2 321.380 3.832 50 0 DHAALO CC(C)=CCC[C@H](C)c1c(-c2ccccc2)[nH+]cn1CC(N)=O ZINC000065455318 184347695 /nfs/dbraw/zinc/34/76/95/184347695.db2.gz QPALOZDRCLKJCB-HNNXBMFYSA-N 1 2 311.429 3.885 50 0 DHAALO Cc1cc(N[C@@H](C)Cc2ccccn2)nc(-c2ccccc2)[nH+]1 ZINC000065404229 184337997 /nfs/dbraw/zinc/33/79/97/184337997.db2.gz CYSQVMRGCVGIKN-AWEZNQCLSA-N 1 2 304.397 3.890 50 0 DHAALO FC(F)(F)Oc1ccc(Cn2cc[nH+]c2-c2cccnc2)cc1 ZINC000065404997 184338128 /nfs/dbraw/zinc/33/81/28/184338128.db2.gz YLTWMVYDPMOQBL-UHFFFAOYSA-N 1 2 319.286 3.892 50 0 DHAALO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000065520987 184359223 /nfs/dbraw/zinc/35/92/23/184359223.db2.gz INTDHNJHDVJYRN-UHFFFAOYSA-N 1 2 309.394 3.675 50 0 DHAALO Cc1cc(C)cc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)c1 ZINC000065890015 184382131 /nfs/dbraw/zinc/38/21/31/184382131.db2.gz LFOAVHIMTJZEOX-LJQANCHMSA-N 1 2 305.425 3.916 50 0 DHAALO CN(Cc1csc2ccccc12)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000346158002 257237284 /nfs/dbraw/zinc/23/72/84/257237284.db2.gz VSNPKSFKNYDZSM-UHFFFAOYSA-N 1 2 313.426 3.561 50 0 DHAALO CC[C@H](NC(=O)c1ccc2nc(C)sc2c1)c1[nH]cc(C)[nH+]1 ZINC000426571499 257245818 /nfs/dbraw/zinc/24/58/18/257245818.db2.gz MWERNZCRIPCMQH-LBPRGKRZSA-N 1 2 314.414 3.517 50 0 DHAALO CCCCN(Cc1ccc(C)s1)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC000426513713 257248608 /nfs/dbraw/zinc/24/86/08/257248608.db2.gz PXOSITJFHRYSHO-CQSZACIVSA-N 1 2 305.447 3.643 50 0 DHAALO OC[C@H]([NH2+]Cc1sccc1Cl)c1c(F)cccc1F ZINC000330032440 257260707 /nfs/dbraw/zinc/26/07/07/257260707.db2.gz NAXHWKGFZRRXJB-NSHDSACASA-N 1 2 303.761 3.503 50 0 DHAALO O=C(C[NH+]1CCCCCC1)Nc1cc(Cl)ccc1Cl ZINC000006851670 257268010 /nfs/dbraw/zinc/26/80/10/257268010.db2.gz FARHNWCMSZQCDM-UHFFFAOYSA-N 1 2 301.217 3.808 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000121819862 195353994 /nfs/dbraw/zinc/35/39/94/195353994.db2.gz MHEKILNVITZRLA-OAHLLOKOSA-N 1 2 324.409 3.758 50 0 DHAALO O=C(CCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000015799823 332047726 /nfs/dbraw/zinc/04/77/26/332047726.db2.gz NFGRWKJEEYJCIM-FQEVSTJZSA-N 1 2 309.409 3.723 50 0 DHAALO O=C(CCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000015799823 332047727 /nfs/dbraw/zinc/04/77/27/332047727.db2.gz NFGRWKJEEYJCIM-FQEVSTJZSA-N 1 2 309.409 3.723 50 0 DHAALO CSc1ccc(NC(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000012875345 563850555 /nfs/dbraw/zinc/85/05/55/563850555.db2.gz HPYCDQMKTIAVBZ-UHFFFAOYSA-N 1 2 306.456 3.541 50 0 DHAALO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1csc(C)n1)CCC2 ZINC000152661573 563910357 /nfs/dbraw/zinc/91/03/57/563910357.db2.gz BTADUZDGNUZQAR-CYBMUJFWSA-N 1 2 307.488 3.980 50 0 DHAALO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1csc(C)n1)CCC2 ZINC000152661573 563910358 /nfs/dbraw/zinc/91/03/58/563910358.db2.gz BTADUZDGNUZQAR-CYBMUJFWSA-N 1 2 307.488 3.980 50 0 DHAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000000446279 563255405 /nfs/dbraw/zinc/25/54/05/563255405.db2.gz HUCBKSYEJCNGQJ-MRXNPFEDSA-N 1 2 324.424 3.908 50 0 DHAALO Cc1[nH+]c2ccc(C)cc2n1C1CCN(C(=O)CC2CC2)CC1 ZINC000034915443 563325178 /nfs/dbraw/zinc/32/51/78/563325178.db2.gz HJUZKYYXUWHBAG-UHFFFAOYSA-N 1 2 311.429 3.617 50 0 DHAALO Cc1[nH]c2ccc(NC(=O)CCn3ccc4ccccc43)cc2[nH+]1 ZINC000010657215 563415627 /nfs/dbraw/zinc/41/56/27/563415627.db2.gz RYPXLJMIGWLVOD-UHFFFAOYSA-N 1 2 318.380 3.855 50 0 DHAALO c1cn(CCNc2ncnc3scc(-c4ccccc4)c32)c[nH+]1 ZINC000025347326 563422896 /nfs/dbraw/zinc/42/28/96/563422896.db2.gz WRKWJRUJLWLHKJ-UHFFFAOYSA-N 1 2 321.409 3.667 50 0 DHAALO CCc1nnc([C@H](C)[N@H+](C)Cc2ccc(SC)c(OC)c2)o1 ZINC000069979167 563426782 /nfs/dbraw/zinc/42/67/82/563426782.db2.gz PDWJQRPNTNSACX-NSHDSACASA-N 1 2 321.446 3.556 50 0 DHAALO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccc(SC)c(OC)c2)o1 ZINC000069979167 563426783 /nfs/dbraw/zinc/42/67/83/563426783.db2.gz PDWJQRPNTNSACX-NSHDSACASA-N 1 2 321.446 3.556 50 0 DHAALO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000026807460 563426813 /nfs/dbraw/zinc/42/68/13/563426813.db2.gz QUCSUVGKKNYXFT-GFCCVEGCSA-N 1 2 311.410 3.917 50 0 DHAALO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCc2ccccc2C1 ZINC000026807460 563426814 /nfs/dbraw/zinc/42/68/14/563426814.db2.gz QUCSUVGKKNYXFT-GFCCVEGCSA-N 1 2 311.410 3.917 50 0 DHAALO O=C(CCC1CCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030221087 563436606 /nfs/dbraw/zinc/43/66/06/563436606.db2.gz GQYALUYIMXXMDM-UHFFFAOYSA-N 1 2 311.429 3.518 50 0 DHAALO CCCNc1nnc(SCc2cn3cccc(C)c3[nH+]2)s1 ZINC000030957427 563439965 /nfs/dbraw/zinc/43/99/65/563439965.db2.gz WDBOZRIJRYKYQA-UHFFFAOYSA-N 1 2 319.459 3.608 50 0 DHAALO CC(=O)Nc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000002490812 563448757 /nfs/dbraw/zinc/44/87/57/563448757.db2.gz UABANPBDEMQHRF-UHFFFAOYSA-N 1 2 319.408 3.685 50 0 DHAALO CC(=O)Nc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000002490812 563448761 /nfs/dbraw/zinc/44/87/61/563448761.db2.gz UABANPBDEMQHRF-UHFFFAOYSA-N 1 2 319.408 3.685 50 0 DHAALO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044935474 563464278 /nfs/dbraw/zinc/46/42/78/563464278.db2.gz AKADPJAEOQUJID-LJQANCHMSA-N 1 2 319.408 3.813 50 0 DHAALO Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044933558 563464448 /nfs/dbraw/zinc/46/44/48/563464448.db2.gz AJCCATIBLWIARS-INIZCTEOSA-N 1 2 319.408 3.731 50 0 DHAALO c1cc(C[N@H+]2CCCC[C@H]2c2nncn2Cc2ccccc2)co1 ZINC000097941569 563481044 /nfs/dbraw/zinc/48/10/44/563481044.db2.gz FDRFTZJUHCFIBB-SFHVURJKSA-N 1 2 322.412 3.647 50 0 DHAALO c1cc(C[N@@H+]2CCCC[C@H]2c2nncn2Cc2ccccc2)co1 ZINC000097941569 563481045 /nfs/dbraw/zinc/48/10/45/563481045.db2.gz FDRFTZJUHCFIBB-SFHVURJKSA-N 1 2 322.412 3.647 50 0 DHAALO C[C@H](c1nccs1)n1cc[nH+]c1-c1ccc(-n2cccn2)cc1 ZINC000067982797 563494793 /nfs/dbraw/zinc/49/47/93/563494793.db2.gz SLFJEVODOQXEDE-CYBMUJFWSA-N 1 2 321.409 3.802 50 0 DHAALO COc1ccc2oc([C@@H](C)[NH2+]Cc3nnc(C)s3)c(C)c2c1 ZINC000097057273 563504394 /nfs/dbraw/zinc/50/43/94/563504394.db2.gz OKFCAIMMXXUBRW-SNVBAGLBSA-N 1 2 317.414 3.761 50 0 DHAALO CCn1c[nH+]cc1CNC(=O)c1oc2c(ccc(C)c2C)c1C ZINC000077320606 563509291 /nfs/dbraw/zinc/50/92/91/563509291.db2.gz OUQLZKCQZFXFKI-UHFFFAOYSA-N 1 2 311.385 3.504 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000077406428 563510158 /nfs/dbraw/zinc/51/01/58/563510158.db2.gz BWJORGHJOLPESC-MRXNPFEDSA-N 1 2 324.384 3.679 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000077406428 563510160 /nfs/dbraw/zinc/51/01/60/563510160.db2.gz BWJORGHJOLPESC-MRXNPFEDSA-N 1 2 324.384 3.679 50 0 DHAALO Cc1ccc(NC(=O)CCn2cc[nH+]c2-c2ccncc2)cc1C ZINC000077472068 563510683 /nfs/dbraw/zinc/51/06/83/563510683.db2.gz ZQAHXXJETOYSIR-UHFFFAOYSA-N 1 2 320.396 3.591 50 0 DHAALO CCCCOC(=O)N1CCC[C@H](c2[nH+]ccn2CCCC)C1 ZINC000095379582 563529767 /nfs/dbraw/zinc/52/97/67/563529767.db2.gz SRQCNUXWTCVDQU-HNNXBMFYSA-N 1 2 307.438 3.799 50 0 DHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000095356255 563529837 /nfs/dbraw/zinc/52/98/37/563529837.db2.gz MFWOUWLLGVSTOL-MRXNPFEDSA-N 1 2 303.450 3.579 50 0 DHAALO COc1cc(F)ccc1-c1cccc(OCCn2cc[nH+]c2)c1 ZINC000096133612 563533214 /nfs/dbraw/zinc/53/32/14/563533214.db2.gz IVCMAUHVHIIWLS-UHFFFAOYSA-N 1 2 312.344 3.777 50 0 DHAALO CC[C@H](C)c1ccc(NC(=O)NCCCc2[nH]cc[nH+]2)cc1 ZINC000097446932 563539600 /nfs/dbraw/zinc/53/96/00/563539600.db2.gz WKRCFGFTPZKTKY-ZDUSSCGKSA-N 1 2 300.406 3.678 50 0 DHAALO CCCn1c2ccccc2[nH+]c1NCc1nc2ccccc2n1C ZINC000000111506 563570927 /nfs/dbraw/zinc/57/09/27/563570927.db2.gz ZSDDNBRRJXBCCF-UHFFFAOYSA-N 1 2 319.412 3.945 50 0 DHAALO Cc1c(F)cccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000073392384 563603002 /nfs/dbraw/zinc/60/30/02/563603002.db2.gz AKADYDRBDCMUJQ-UHFFFAOYSA-N 1 2 323.371 4.000 50 0 DHAALO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc2c(c1)CCO2 ZINC000253430920 563614051 /nfs/dbraw/zinc/61/40/51/563614051.db2.gz OTUIBZZTFUGRBX-UHFFFAOYSA-N 1 2 319.408 3.644 50 0 DHAALO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc2c(c1)CCO2 ZINC000253430920 563614055 /nfs/dbraw/zinc/61/40/55/563614055.db2.gz OTUIBZZTFUGRBX-UHFFFAOYSA-N 1 2 319.408 3.644 50 0 DHAALO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)C1)n1cc[nH+]c1-c1ccccc1 ZINC000107592188 563684381 /nfs/dbraw/zinc/68/43/81/563684381.db2.gz IMQQOVKHAUOSBO-VYDXJSESSA-N 1 2 311.429 3.806 50 0 DHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)on1 ZINC000044975783 563687553 /nfs/dbraw/zinc/68/75/53/563687553.db2.gz GQVNTKYRMQONLG-MRXNPFEDSA-N 1 2 309.369 3.975 50 0 DHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)on1 ZINC000044975783 563687555 /nfs/dbraw/zinc/68/75/55/563687555.db2.gz GQVNTKYRMQONLG-MRXNPFEDSA-N 1 2 309.369 3.975 50 0 DHAALO CC(C)[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccn1 ZINC000048263166 563694283 /nfs/dbraw/zinc/69/42/83/563694283.db2.gz GVNSYJGIWMAVBW-UHFFFAOYSA-N 1 2 314.414 3.604 50 0 DHAALO CC(C)[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccn1 ZINC000048263166 563694285 /nfs/dbraw/zinc/69/42/85/563694285.db2.gz GVNSYJGIWMAVBW-UHFFFAOYSA-N 1 2 314.414 3.604 50 0 DHAALO CC(=O)c1cc(C[N@@H+](C)Cc2ccc3nsnc3c2)cs1 ZINC000215147793 563703881 /nfs/dbraw/zinc/70/38/81/563703881.db2.gz FTOFFPYNIIPQFN-UHFFFAOYSA-N 1 2 317.439 3.587 50 0 DHAALO CC(=O)c1cc(C[N@H+](C)Cc2ccc3nsnc3c2)cs1 ZINC000215147793 563703884 /nfs/dbraw/zinc/70/38/84/563703884.db2.gz FTOFFPYNIIPQFN-UHFFFAOYSA-N 1 2 317.439 3.587 50 0 DHAALO CCOc1ccc(C[N@H+](C)Cc2nc(C3CC3)no2)cc1Cl ZINC000215570777 563706519 /nfs/dbraw/zinc/70/65/19/563706519.db2.gz KYDZLJBSWFDHFF-UHFFFAOYSA-N 1 2 321.808 3.631 50 0 DHAALO CCOc1ccc(C[N@@H+](C)Cc2nc(C3CC3)no2)cc1Cl ZINC000215570777 563706523 /nfs/dbraw/zinc/70/65/23/563706523.db2.gz KYDZLJBSWFDHFF-UHFFFAOYSA-N 1 2 321.808 3.631 50 0 DHAALO CC(C)[C@H](Nc1ncnc2c3ccccc3oc21)c1[nH]cc[nH+]1 ZINC000225814695 563764281 /nfs/dbraw/zinc/76/42/81/563764281.db2.gz WTGZOVVUXNYQHA-ZDUSSCGKSA-N 1 2 307.357 3.908 50 0 DHAALO COc1c(C)cc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1C ZINC000299761957 563805191 /nfs/dbraw/zinc/80/51/91/563805191.db2.gz CJJYWRMIFZQGMS-UHFFFAOYSA-N 1 2 313.401 3.646 50 0 DHAALO CSc1ccc(NC(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000012875345 563850552 /nfs/dbraw/zinc/85/05/52/563850552.db2.gz HPYCDQMKTIAVBZ-UHFFFAOYSA-N 1 2 306.456 3.541 50 0 DHAALO 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/nfs/dbraw/zinc/10/17/52/181101752.db2.gz KPFMNZLHUOGEOS-UHFFFAOYSA-N 1 2 309.417 3.750 50 0 DHAALO Cc1ccc(-c2nn(C[NH+]3CCC(C)CC3)c(=S)[nH]2)cc1 ZINC000005067310 181199629 /nfs/dbraw/zinc/19/96/29/181199629.db2.gz ROAGNROTXOZBRF-UHFFFAOYSA-N 1 2 302.447 3.606 50 0 DHAALO Cc1ccc(C)n1C1CCN(c2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000080971037 192206730 /nfs/dbraw/zinc/20/67/30/192206730.db2.gz NVQUQZINBCXWET-UHFFFAOYSA-N 1 2 309.417 3.526 50 0 DHAALO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2F)c(Cl)c1 ZINC000006639003 181363782 /nfs/dbraw/zinc/36/37/82/181363782.db2.gz QLVWCLLEJIAEIX-UHFFFAOYSA-N 1 2 320.795 3.858 50 0 DHAALO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2F)c(Cl)c1 ZINC000006639003 181363783 /nfs/dbraw/zinc/36/37/83/181363783.db2.gz QLVWCLLEJIAEIX-UHFFFAOYSA-N 1 2 320.795 3.858 50 0 DHAALO CCCCOC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091468691 193060556 /nfs/dbraw/zinc/06/05/56/193060556.db2.gz SQFMDFMLENYDRN-UHFFFAOYSA-N 1 2 319.449 3.799 50 0 DHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000095379725 563529550 /nfs/dbraw/zinc/52/95/50/563529550.db2.gz IMKXKEFCRBCWKW-GFCCVEGCSA-N 1 2 317.355 3.513 50 0 DHAALO CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC000096417135 193629321 /nfs/dbraw/zinc/62/93/21/193629321.db2.gz TXVMRJFHZNSKOD-GDBMZVCRSA-N 1 2 315.417 3.743 50 0 DHAALO CCCCN(C)c1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000017270204 182080802 /nfs/dbraw/zinc/08/08/02/182080802.db2.gz LPGMFHNARDOYIP-UHFFFAOYSA-N 1 2 309.417 3.669 50 0 DHAALO Cn1c2ccccc2n(Cc2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000019943531 182168613 /nfs/dbraw/zinc/16/86/13/182168613.db2.gz PQSLWDCEKJHUIS-UHFFFAOYSA-N 1 2 306.196 3.814 50 0 DHAALO CCCn1c2ccccc2n(CCOc2cccc(C)c2)c1=[NH2+] ZINC000019939890 182168147 /nfs/dbraw/zinc/16/81/47/182168147.db2.gz ZKPCALSXFFZENP-UHFFFAOYSA-N 1 2 309.413 3.720 50 0 DHAALO CC(C)CCN1C(=O)c2ccccc2[C@H]1[NH2+]Cc1ccccc1 ZINC000020130091 182190068 /nfs/dbraw/zinc/19/00/68/182190068.db2.gz QQRWELYHLOUREG-IBGZPJMESA-N 1 2 308.425 3.977 50 0 DHAALO C[C@H](c1cccs1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050581 182373384 /nfs/dbraw/zinc/37/33/84/182373384.db2.gz MOZBGDPFRIZRLX-CYBMUJFWSA-N 1 2 311.410 3.767 50 0 DHAALO CCOC(=O)c1ccoc1C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000040153599 183040515 /nfs/dbraw/zinc/04/05/15/183040515.db2.gz LZPOGSJDOHZNGZ-UHFFFAOYSA-N 1 2 303.358 3.522 50 0 DHAALO CCOC(=O)c1ccoc1C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000040153599 183040518 /nfs/dbraw/zinc/04/05/18/183040518.db2.gz LZPOGSJDOHZNGZ-UHFFFAOYSA-N 1 2 303.358 3.522 50 0 DHAALO Cc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1C ZINC000042203593 183241600 /nfs/dbraw/zinc/24/16/00/183241600.db2.gz FKZVUPFQMGLCQM-LJQANCHMSA-N 1 2 305.425 3.916 50 0 DHAALO Cc1cc(C)n(-c2cc[nH+]c(NCc3ccc(Cl)cc3)n2)n1 ZINC000065240342 184317412 /nfs/dbraw/zinc/31/74/12/184317412.db2.gz FYRDZYBKODZUST-UHFFFAOYSA-N 1 2 313.792 3.545 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000120713786 195222049 /nfs/dbraw/zinc/22/20/49/195222049.db2.gz UIPLYXCTXLTTNX-NSHDSACASA-N 1 2 321.327 3.874 50 0 DHAALO COc1nc2ccccc2cc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC000426534412 257247713 /nfs/dbraw/zinc/24/77/13/257247713.db2.gz GTFGTLVUPJVCRL-UHFFFAOYSA-N 1 2 316.364 3.550 50 0 DHAALO Cc1noc(C)c1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000071903035 184896559 /nfs/dbraw/zinc/89/65/59/184896559.db2.gz WGWQVQJAIQBHRS-UHFFFAOYSA-N 1 2 309.325 3.731 50 0 DHAALO Cc1[nH]c2ccc(NC(=O)[C@H](CC(C)C)n3cccc3)cc2[nH+]1 ZINC000409414720 262509797 /nfs/dbraw/zinc/50/97/97/262509797.db2.gz VHUABQCFRADEPA-KRWDZBQOSA-N 1 2 310.401 3.899 50 0 DHAALO OCC[C@@H]([NH2+]Cc1ncccc1Cl)c1ccc(Cl)cc1 ZINC000528505608 340721732 /nfs/dbraw/zinc/72/17/32/340721732.db2.gz RUHOAUCILRZCDC-CQSZACIVSA-N 1 2 311.212 3.602 50 0 DHAALO CCn1cc[nH+]c1CSCc1cc(Cl)cc2c1OCOC2 ZINC000083631731 563812519 /nfs/dbraw/zinc/81/25/19/563812519.db2.gz QTVNRVYAIAVPIO-UHFFFAOYSA-N 1 2 324.833 3.856 50 0 DHAALO Cc1nnc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)s1 ZINC000253418546 563925143 /nfs/dbraw/zinc/92/51/43/563925143.db2.gz WMROCJQJCATUCH-ABAIWWIYSA-N 1 2 305.472 3.525 50 0 DHAALO Cc1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)s1 ZINC000253418546 563925144 /nfs/dbraw/zinc/92/51/44/563925144.db2.gz WMROCJQJCATUCH-ABAIWWIYSA-N 1 2 305.472 3.525 50 0 DHAALO Nc1ccc(-c2[nH+]c3cc(N)ccc3n2-c2ccccc2)cc1 ZINC000000236214 563232259 /nfs/dbraw/zinc/23/22/59/563232259.db2.gz YLDYPROJXAWFSB-UHFFFAOYSA-N 1 2 300.365 3.857 50 0 DHAALO CC(C)(C)n1nc(-c2cccc3ccccc32)c2c1nc[nH+]c2N ZINC000002576349 563309825 /nfs/dbraw/zinc/30/98/25/563309825.db2.gz XSHQBIXMLULFEV-UHFFFAOYSA-N 1 2 317.396 3.984 50 0 in-vitro DHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc(C)c1 ZINC000003141012 563322247 /nfs/dbraw/zinc/32/22/47/563322247.db2.gz CDQLFYQEHOTRNO-MRXNPFEDSA-N 1 2 324.424 3.737 50 0 DHAALO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1nc(-c2cccs2)no1 ZINC000097370699 563336400 /nfs/dbraw/zinc/33/64/00/563336400.db2.gz YOOJAUVNNRCMJE-QWRGUYRKSA-N 1 2 300.387 3.605 50 0 DHAALO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000007782471 563342518 /nfs/dbraw/zinc/34/25/18/563342518.db2.gz SSGDZGBHSCOODD-UHFFFAOYSA-N 1 2 308.425 3.554 50 0 DHAALO CCc1cccc(C)c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000007782471 563342520 /nfs/dbraw/zinc/34/25/20/563342520.db2.gz SSGDZGBHSCOODD-UHFFFAOYSA-N 1 2 308.425 3.554 50 0 DHAALO CCCc1noc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1 ZINC000012372827 563367276 /nfs/dbraw/zinc/36/72/76/563367276.db2.gz RZLDGFNZUVDQQO-UHFFFAOYSA-N 1 2 317.408 3.616 50 0 DHAALO C[N@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccc2c(c1)OCO2 ZINC000032751554 563390084 /nfs/dbraw/zinc/39/00/84/563390084.db2.gz APNYLEVMFOVXPW-UHFFFAOYSA-N 1 2 322.364 3.702 50 0 DHAALO C[N@@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccc2c(c1)OCO2 ZINC000032751554 563390087 /nfs/dbraw/zinc/39/00/87/563390087.db2.gz APNYLEVMFOVXPW-UHFFFAOYSA-N 1 2 322.364 3.702 50 0 DHAALO CCOC(=O)[C@@H]([NH3+])c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013859134 563390787 /nfs/dbraw/zinc/39/07/87/563390787.db2.gz BSGUUYVEWIQBEP-AWEZNQCLSA-N 1 2 307.434 3.550 50 0 DHAALO CC(C)CCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000026146938 563424847 /nfs/dbraw/zinc/42/48/47/563424847.db2.gz PSBWLVUEXZSJAU-HNNXBMFYSA-N 1 2 314.433 3.669 50 0 DHAALO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1cccc(Cl)c1 ZINC000029973985 563436387 /nfs/dbraw/zinc/43/63/87/563436387.db2.gz PFSCBHTWSOXCCG-UHFFFAOYSA-N 1 2 303.749 3.615 50 0 DHAALO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1cccc(Cl)c1 ZINC000029973985 563436390 /nfs/dbraw/zinc/43/63/90/563436390.db2.gz PFSCBHTWSOXCCG-UHFFFAOYSA-N 1 2 303.749 3.615 50 0 DHAALO COc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccco3)o2)cc1 ZINC000030276449 563436746 /nfs/dbraw/zinc/43/67/46/563436746.db2.gz JPRLXLPDZCBBLT-LBPRGKRZSA-N 1 2 313.357 3.531 50 0 DHAALO COc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccco3)o2)cc1 ZINC000030276449 563436750 /nfs/dbraw/zinc/43/67/50/563436750.db2.gz JPRLXLPDZCBBLT-LBPRGKRZSA-N 1 2 313.357 3.531 50 0 DHAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000030644248 563437534 /nfs/dbraw/zinc/43/75/34/563437534.db2.gz YYJXOLCJYSJXQK-QGZVFWFLSA-N 1 2 313.351 3.578 50 0 DHAALO CCc1ccc(NC(=O)c2cc(F)ccc2-n2cc[nH+]c2)cc1 ZINC000072292856 563437680 /nfs/dbraw/zinc/43/76/80/563437680.db2.gz YUPOPDDQBYCWQF-UHFFFAOYSA-N 1 2 309.344 3.826 50 0 DHAALO O=C(NCCC1=CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000032931353 563443951 /nfs/dbraw/zinc/44/39/51/563443951.db2.gz LSXGYJLERMGYDC-UHFFFAOYSA-N 1 2 309.413 3.552 50 0 DHAALO c1cn(CCCOc2ccc(OCc3ccccc3)cc2)c[nH+]1 ZINC000016193069 563449065 /nfs/dbraw/zinc/44/90/65/563449065.db2.gz GDOCZESOENPXFK-UHFFFAOYSA-N 1 2 308.381 3.931 50 0 DHAALO CCOc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1O[C@@H](C)CC ZINC000055270728 563473597 /nfs/dbraw/zinc/47/35/97/563473597.db2.gz YQZCQASBOLVJBW-AWEZNQCLSA-N 1 2 317.433 3.618 50 0 DHAALO CCOc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1O[C@@H](C)CC ZINC000055270728 563473600 /nfs/dbraw/zinc/47/36/00/563473600.db2.gz YQZCQASBOLVJBW-AWEZNQCLSA-N 1 2 317.433 3.618 50 0 DHAALO Fc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c(F)c1 ZINC000055542944 563476054 /nfs/dbraw/zinc/47/60/54/563476054.db2.gz XWGHPGYPMPWFBK-UHFFFAOYSA-N 1 2 322.786 3.940 50 0 DHAALO Cc1[nH+]c2ccccn2c1CSc1nnc(OC(C)C)s1 ZINC000096424882 563481372 /nfs/dbraw/zinc/48/13/72/563481372.db2.gz XMRMYOFXSZSPPE-UHFFFAOYSA-N 1 2 320.443 3.574 50 0 DHAALO c1nc2c([nH]1)[C@H](CCc1ccccc1)[N@H+](Cc1cccnc1)CC2 ZINC000067713129 563489839 /nfs/dbraw/zinc/48/98/39/563489839.db2.gz IZPSSTBTYCEUOK-IBGZPJMESA-N 1 2 318.424 3.537 50 0 DHAALO c1nc2c([nH]1)[C@H](CCc1ccccc1)[N@@H+](Cc1cccnc1)CC2 ZINC000067713129 563489841 /nfs/dbraw/zinc/48/98/41/563489841.db2.gz IZPSSTBTYCEUOK-IBGZPJMESA-N 1 2 318.424 3.537 50 0 DHAALO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000067821648 563491489 /nfs/dbraw/zinc/49/14/89/563491489.db2.gz SAHSWAOEVNOPER-CQSZACIVSA-N 1 2 317.458 3.620 50 0 DHAALO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000067821648 563491493 /nfs/dbraw/zinc/49/14/93/563491493.db2.gz SAHSWAOEVNOPER-CQSZACIVSA-N 1 2 317.458 3.620 50 0 DHAALO CC(C)n1cc[nH+]c1CN1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000067821648 563491496 /nfs/dbraw/zinc/49/14/96/563491496.db2.gz SAHSWAOEVNOPER-CQSZACIVSA-N 1 2 317.458 3.620 50 0 DHAALO Cc1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033294599 563518403 /nfs/dbraw/zinc/51/84/03/563518403.db2.gz OIVTXSATSCRPAF-YVMONPNESA-N 1 2 306.453 3.826 50 0 DHAALO C[C@@H](O)c1cccc(N2CCC(Cc3ccccc3F)CC2)[nH+]1 ZINC000096154079 563534916 /nfs/dbraw/zinc/53/49/16/563534916.db2.gz YVNALDJQTIHCEP-CQSZACIVSA-N 1 2 314.404 3.733 50 0 DHAALO OCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3[nH+]c21 ZINC000000186889 563576569 /nfs/dbraw/zinc/57/65/69/563576569.db2.gz TZCZMUCSIVXMCC-UHFFFAOYSA-N 1 2 311.772 3.602 50 0 biogenic DHAALO COc1c(C)c[nH+]c(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1C ZINC000050448718 563587656 /nfs/dbraw/zinc/58/76/56/563587656.db2.gz LRJBFQZFERFCJE-GDBMZVCRSA-N 1 2 316.445 3.562 50 0 DHAALO COc1c(C)c[nH+]c(CNC(=O)c2sccc2C2CC2)c1C ZINC000050770109 563605347 /nfs/dbraw/zinc/60/53/47/563605347.db2.gz GLHDSNJZGLEICN-UHFFFAOYSA-N 1 2 316.426 3.576 50 0 DHAALO O=C(C[NH+]1CCCCCC1)Nc1c(Cl)cccc1Cl ZINC000006742130 563638438 /nfs/dbraw/zinc/63/84/38/563638438.db2.gz JRNHYWQKQLEFJI-UHFFFAOYSA-N 1 2 301.217 3.808 50 0 DHAALO COc1ccc2cc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(Cl)nc2c1 ZINC000012978589 563654506 /nfs/dbraw/zinc/65/45/06/563654506.db2.gz YPVROUROFZGRLL-TXEJJXNPSA-N 1 2 320.820 3.506 50 0 DHAALO COc1ccc2cc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(Cl)nc2c1 ZINC000012978589 563654508 /nfs/dbraw/zinc/65/45/08/563654508.db2.gz YPVROUROFZGRLL-TXEJJXNPSA-N 1 2 320.820 3.506 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC[C@@H](C)C2)c(C)c1 ZINC000000529400 563665263 /nfs/dbraw/zinc/66/52/63/563665263.db2.gz CLQVVBPDAXJGBV-CQSZACIVSA-N 1 2 321.428 3.669 50 0 in-vivo DHAALO Fc1ccc(F)c(C[NH2+]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000048710966 563699688 /nfs/dbraw/zinc/69/96/88/563699688.db2.gz SSESPQXDZHQPHX-UHFFFAOYSA-N 1 2 307.731 3.556 50 0 DHAALO CC(C)(C)CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048936550 563700348 /nfs/dbraw/zinc/70/03/48/563700348.db2.gz LSKRSPHYAZJYHY-UHFFFAOYSA-N 1 2 303.450 3.514 50 0 DHAALO CC(=O)c1cc(CN(C)Cc2c(C)[nH+]c3ccccn32)cs1 ZINC000215511754 563706246 /nfs/dbraw/zinc/70/62/46/563706246.db2.gz FBIPRRBAHGRISK-UHFFFAOYSA-N 1 2 313.426 3.539 50 0 DHAALO CC(=O)c1cc(C[N@@H+](C)Cc2c(C)nc3ccccn32)cs1 ZINC000215511754 563706248 /nfs/dbraw/zinc/70/62/48/563706248.db2.gz FBIPRRBAHGRISK-UHFFFAOYSA-N 1 2 313.426 3.539 50 0 DHAALO CC(=O)c1cc(C[N@H+](C)Cc2c(C)nc3ccccn32)cs1 ZINC000215511754 563706250 /nfs/dbraw/zinc/70/62/50/563706250.db2.gz FBIPRRBAHGRISK-UHFFFAOYSA-N 1 2 313.426 3.539 50 0 DHAALO FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000182620024 563793671 /nfs/dbraw/zinc/79/36/71/563793671.db2.gz CQGJRNQLOIOJLE-INIZCTEOSA-N 1 2 322.330 3.674 50 0 DHAALO FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000182620024 563793678 /nfs/dbraw/zinc/79/36/78/563793678.db2.gz CQGJRNQLOIOJLE-INIZCTEOSA-N 1 2 322.330 3.674 50 0 DHAALO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1cccc2ccccc21 ZINC000012486046 563796788 /nfs/dbraw/zinc/79/67/88/563796788.db2.gz AOKWHLSOIKVKJO-LBPRGKRZSA-N 1 2 303.369 3.690 50 0 DHAALO Cc1cccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000012525404 563797623 /nfs/dbraw/zinc/79/76/23/563797623.db2.gz ASGYYOAKSIGYQE-MRXNPFEDSA-N 1 2 319.408 3.980 50 0 DHAALO c1oc(-c2ccccc2)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000012534453 563798335 /nfs/dbraw/zinc/79/83/35/563798335.db2.gz YJLMHUBBYHISAU-UHFFFAOYSA-N 1 2 319.408 3.664 50 0 DHAALO CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121210399 563844415 /nfs/dbraw/zinc/84/44/15/563844415.db2.gz CRKKNZFLRSLYAA-GOSISDBHSA-N 1 2 324.424 3.673 50 0 DHAALO Clc1ccc2nc([C@H]3CCC[N@@H+]3C[C@H]3CCCO3)[nH]c2c1 ZINC000244794659 563881335 /nfs/dbraw/zinc/88/13/35/563881335.db2.gz QRDGSLHOFPEJTO-IUODEOHRSA-N 1 2 305.809 3.532 50 0 DHAALO Clc1ccc2nc([C@H]3CCC[N@H+]3C[C@H]3CCCO3)[nH]c2c1 ZINC000244794659 563881339 /nfs/dbraw/zinc/88/13/39/563881339.db2.gz QRDGSLHOFPEJTO-IUODEOHRSA-N 1 2 305.809 3.532 50 0 DHAALO CC(C)c1nn(C[N@@H+]2CCC[C@H]2c2ccccc2)c(=S)[nH]1 ZINC000014158590 563910275 /nfs/dbraw/zinc/91/02/75/563910275.db2.gz NBTBTWQKWAMTQI-AWEZNQCLSA-N 1 2 302.447 3.859 50 0 DHAALO CC(C)c1nn(C[N@H+]2CCC[C@H]2c2ccccc2)c(=S)[nH]1 ZINC000014158590 563910276 /nfs/dbraw/zinc/91/02/76/563910276.db2.gz NBTBTWQKWAMTQI-AWEZNQCLSA-N 1 2 302.447 3.859 50 0 DHAALO Cc1noc([C@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089718524 563911054 /nfs/dbraw/zinc/91/10/54/563911054.db2.gz DDARGRTXHGLUDN-LBPRGKRZSA-N 1 2 308.385 3.710 50 0 DHAALO Cc1noc([C@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089718524 563911055 /nfs/dbraw/zinc/91/10/55/563911055.db2.gz DDARGRTXHGLUDN-LBPRGKRZSA-N 1 2 308.385 3.710 50 0 DHAALO Cc1cccc(C[N@@H+]2CCN(c3ccccc3C)C(=O)[C@@H]2C)c1 ZINC000037520193 563918351 /nfs/dbraw/zinc/91/83/51/563918351.db2.gz QLVASBLUASYGQU-KRWDZBQOSA-N 1 2 308.425 3.541 50 0 DHAALO Cc1cccc(C[N@H+]2CCN(c3ccccc3C)C(=O)[C@@H]2C)c1 ZINC000037520193 563918352 /nfs/dbraw/zinc/91/83/52/563918352.db2.gz QLVASBLUASYGQU-KRWDZBQOSA-N 1 2 308.425 3.541 50 0 DHAALO c1coc(-c2cccc(NC3CCN(c4cccc[nH+]4)CC3)c2)n1 ZINC000195552529 563919596 /nfs/dbraw/zinc/91/95/96/563919596.db2.gz VFPAJQNUKQIWDK-UHFFFAOYSA-N 1 2 320.396 3.818 50 0 DHAALO CCCC[C@@H]1C=CCN1C(=O)NCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000584887706 563925470 /nfs/dbraw/zinc/92/54/70/563925470.db2.gz YGCOYMWXBVJPDT-OAHLLOKOSA-N 1 2 312.417 3.512 50 0 DHAALO CCCC[C@@H]1C=CCN1C(=O)NCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000584887706 563925472 /nfs/dbraw/zinc/92/54/72/563925472.db2.gz YGCOYMWXBVJPDT-OAHLLOKOSA-N 1 2 312.417 3.512 50 0 DHAALO Cc1cc(-c2nnc(C[N@@H+](C)Cc3sccc3C)o2)c(C)o1 ZINC000095966246 563932908 /nfs/dbraw/zinc/93/29/08/563932908.db2.gz KQEJUFGTVPIESZ-UHFFFAOYSA-N 1 2 317.414 3.948 50 0 DHAALO Cc1cc(-c2nnc(C[N@H+](C)Cc3sccc3C)o2)c(C)o1 ZINC000095966246 563932909 /nfs/dbraw/zinc/93/29/09/563932909.db2.gz KQEJUFGTVPIESZ-UHFFFAOYSA-N 1 2 317.414 3.948 50 0 DHAALO C[C@H]1C[NH+](Cc2cnoc2-c2ccc(Cl)s2)C[C@H](C)O1 ZINC000095972303 563933561 /nfs/dbraw/zinc/93/35/61/563933561.db2.gz WRUXZCMXJFULLL-UWVGGRQHSA-N 1 2 312.822 3.666 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000095981989 563934011 /nfs/dbraw/zinc/93/40/11/563934011.db2.gz IGCMWEVHSFYVAP-QWRGUYRKSA-N 1 2 301.312 3.633 50 0 DHAALO O=C(OC1(C2CC2)CC1)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000096013442 563934822 /nfs/dbraw/zinc/93/48/22/563934822.db2.gz FGDXCTFBFWRPJT-HNNXBMFYSA-N 1 2 322.408 3.598 50 0 DHAALO C[C@H](C(=O)c1ccccc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000096027146 563935079 /nfs/dbraw/zinc/93/50/79/563935079.db2.gz IYJBRVDBTXYFEA-MRXNPFEDSA-N 1 2 309.409 3.801 50 0 DHAALO COCc1nc(CNc2ccc(-c3ccccc3)c[nH+]2)cs1 ZINC000162222957 563940460 /nfs/dbraw/zinc/94/04/60/563940460.db2.gz IAFFQERBXGFPBX-UHFFFAOYSA-N 1 2 311.410 3.964 50 0 DHAALO CC(C)[C@@H]1C[N@H+](Cc2ccccc2)[C@]2(C)c3ccccc3C(=O)N12 ZINC000230189926 563941954 /nfs/dbraw/zinc/94/19/54/563941954.db2.gz VYARWIQLNHRAML-FPOVZHCZSA-N 1 2 320.436 3.856 50 0 DHAALO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)[C@]2(C)c3ccccc3C(=O)N12 ZINC000230189926 563941955 /nfs/dbraw/zinc/94/19/55/563941955.db2.gz VYARWIQLNHRAML-FPOVZHCZSA-N 1 2 320.436 3.856 50 0 DHAALO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)o1 ZINC000007975935 563945749 /nfs/dbraw/zinc/94/57/49/563945749.db2.gz ZDIMOWAHYHUMJT-LBPRGKRZSA-N 1 2 306.793 3.700 50 0 DHAALO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)o1 ZINC000007975935 563945750 /nfs/dbraw/zinc/94/57/50/563945750.db2.gz ZDIMOWAHYHUMJT-LBPRGKRZSA-N 1 2 306.793 3.700 50 0 DHAALO Cc1noc(C)c1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000032465678 563945761 /nfs/dbraw/zinc/94/57/61/563945761.db2.gz AVBKLRGBGASVIM-UHFFFAOYSA-N 1 2 312.373 3.718 50 0 DHAALO COc1ccc2[nH]c(SCc3cn4cc(C)ccc4[nH+]3)nc2c1 ZINC000008132101 563946736 /nfs/dbraw/zinc/94/67/36/563946736.db2.gz MCSIEWBEEYROQG-UHFFFAOYSA-N 1 2 324.409 3.820 50 0 DHAALO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c(Cl)c1 ZINC000008120439 563946812 /nfs/dbraw/zinc/94/68/12/563946812.db2.gz DLJMRETUILFAPP-UHFFFAOYSA-N 1 2 320.795 3.858 50 0 DHAALO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c(Cl)c1 ZINC000008120439 563946814 /nfs/dbraw/zinc/94/68/14/563946814.db2.gz DLJMRETUILFAPP-UHFFFAOYSA-N 1 2 320.795 3.858 50 0 DHAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1c(F)cccc1F ZINC000008320429 563947887 /nfs/dbraw/zinc/94/78/87/563947887.db2.gz MPBZUKLZDKHEKA-CYBMUJFWSA-N 1 2 322.380 3.802 50 0 DHAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1c(F)cccc1F ZINC000008320429 563947888 /nfs/dbraw/zinc/94/78/88/563947888.db2.gz MPBZUKLZDKHEKA-CYBMUJFWSA-N 1 2 322.380 3.802 50 0 DHAALO Cc1c([C@@H](C)[NH2+]Cc2cscn2)cnn1-c1ccc(F)cc1 ZINC000067504614 563949311 /nfs/dbraw/zinc/94/93/11/563949311.db2.gz FEPGWBXZCJTUHP-LLVKDONJSA-N 1 2 316.405 3.627 50 0 DHAALO CCCc1nc(C[NH+]2CCN(c3cccc(C)c3)CC2)cs1 ZINC000040050137 563951291 /nfs/dbraw/zinc/95/12/91/563951291.db2.gz PWJZPWJYNKACNK-UHFFFAOYSA-N 1 2 315.486 3.726 50 0 DHAALO CC(C)c1noc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)n1 ZINC000069617073 563953798 /nfs/dbraw/zinc/95/37/98/563953798.db2.gz FKSRCMJOBPNEQS-UHFFFAOYSA-N 1 2 303.381 3.891 50 0 DHAALO Clc1cnccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000173565899 563954292 /nfs/dbraw/zinc/95/42/92/563954292.db2.gz QWPQUIREMIBOCB-OAHLLOKOSA-N 1 2 306.793 3.509 50 0 DHAALO Clc1cnccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000173565899 563954293 /nfs/dbraw/zinc/95/42/93/563954293.db2.gz QWPQUIREMIBOCB-OAHLLOKOSA-N 1 2 306.793 3.509 50 0 DHAALO CCCCc1nc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cs1 ZINC000069819538 563954804 /nfs/dbraw/zinc/95/48/04/563954804.db2.gz AUDUFYXPXMBEEJ-HNNXBMFYSA-N 1 2 304.463 3.556 50 0 DHAALO CCCCc1nc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cs1 ZINC000069819538 563954805 /nfs/dbraw/zinc/95/48/05/563954805.db2.gz AUDUFYXPXMBEEJ-HNNXBMFYSA-N 1 2 304.463 3.556 50 0 DHAALO Cc1ncsc1C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000245713900 563955110 /nfs/dbraw/zinc/95/51/10/563955110.db2.gz GMCYEATUEFVRED-XHDPSFHLSA-N 1 2 306.406 3.553 50 0 DHAALO Cc1ncsc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000245713900 563955111 /nfs/dbraw/zinc/95/51/11/563955111.db2.gz GMCYEATUEFVRED-XHDPSFHLSA-N 1 2 306.406 3.553 50 0 DHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H]3CCCC[C@H]32)c1 ZINC000077445029 563960630 /nfs/dbraw/zinc/96/06/30/563960630.db2.gz KLAUQSMGVWPVDI-RHSMWYFYSA-N 1 2 324.428 3.884 50 0 DHAALO C[NH+](C)CN1C(=O)/C(=C\c2ccccc2)c2ccc(Cl)cc21 ZINC000013629804 568412546 /nfs/dbraw/zinc/41/25/46/568412546.db2.gz OYRHBUBDXSTJFM-YBEGLDIGSA-N 1 2 312.800 3.746 50 0 DHAALO CCCCc1nc(Cl)c(C[NH2+]Cc2cncn2CC(C)C)[nH]1 ZINC000952966029 1032670714 /nfs/dbraw/zinc/67/07/14/1032670714.db2.gz CYRQERHVBRSVKW-UHFFFAOYSA-N 1 2 323.872 3.548 50 0 DHAALO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C2CCCCC2)[nH+]c1C ZINC000952992397 1032680059 /nfs/dbraw/zinc/68/00/59/1032680059.db2.gz LYBNIBAEBAGJPN-ULQDDVLXSA-N 1 2 315.461 3.906 50 0 DHAALO c1cn(Cc2ccc(-c3noc(-c4ccsc4)n3)cc2)c[nH+]1 ZINC000328593834 231233803 /nfs/dbraw/zinc/23/38/03/231233803.db2.gz PQPYKFWUXDLQMH-UHFFFAOYSA-N 1 2 308.366 3.710 50 0 DHAALO c1c[nH+]c([C@@H]2CCCCN2Cc2cc(-c3ccccc3)n[nH]2)[nH]1 ZINC000092730136 185336502 /nfs/dbraw/zinc/33/65/02/185336502.db2.gz ILJOBEVFPDTXHV-KRWDZBQOSA-N 1 2 307.401 3.527 50 0 DHAALO CCc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)n1C ZINC000097000414 185396231 /nfs/dbraw/zinc/39/62/31/185396231.db2.gz KXFRILRIIAGAPZ-VIFPVBQESA-N 1 2 313.232 3.535 50 0 DHAALO Cc1sc2nc(C[N@H+](C)Cc3ccccc3)nc(N)c2c1C ZINC000095469772 185372265 /nfs/dbraw/zinc/37/22/65/185372265.db2.gz ISGXYNJLBFDZEY-UHFFFAOYSA-N 1 2 312.442 3.522 50 0 DHAALO Cc1sc2nc(C[N@@H+](C)Cc3ccccc3)nc(N)c2c1C ZINC000095469772 185372266 /nfs/dbraw/zinc/37/22/66/185372266.db2.gz ISGXYNJLBFDZEY-UHFFFAOYSA-N 1 2 312.442 3.522 50 0 DHAALO Cc1c(Cn2cc[nH+]c2-c2ccc(-c3ccco3)cc2)cnn1C ZINC000071746177 191019131 /nfs/dbraw/zinc/01/91/31/191019131.db2.gz ABUSBCRMUYYZAJ-UHFFFAOYSA-N 1 2 318.380 3.900 50 0 DHAALO COc1cccc([C@H]2CCC[N@@H+]2Cc2noc(CC(C)C)n2)c1 ZINC000072126710 191043134 /nfs/dbraw/zinc/04/31/34/191043134.db2.gz FJFQONYMQDTHQU-MRXNPFEDSA-N 1 2 315.417 3.614 50 0 DHAALO COc1cccc([C@H]2CCC[N@H+]2Cc2noc(CC(C)C)n2)c1 ZINC000072126710 191043137 /nfs/dbraw/zinc/04/31/37/191043137.db2.gz FJFQONYMQDTHQU-MRXNPFEDSA-N 1 2 315.417 3.614 50 0 DHAALO COc1ccccc1OC1C[NH+](Cc2ccc3occc3c2)C1 ZINC000072143377 191049146 /nfs/dbraw/zinc/04/91/46/191049146.db2.gz MZCMVMKGCKYXOL-UHFFFAOYSA-N 1 2 309.365 3.705 50 0 DHAALO Cc1nc(C[N@@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)co1 ZINC000072162026 191062184 /nfs/dbraw/zinc/06/21/84/191062184.db2.gz DICNUVXHLJEBNY-AWEZNQCLSA-N 1 2 310.401 3.547 50 0 DHAALO Cc1nc(C[N@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)co1 ZINC000072162026 191062186 /nfs/dbraw/zinc/06/21/86/191062186.db2.gz DICNUVXHLJEBNY-AWEZNQCLSA-N 1 2 310.401 3.547 50 0 DHAALO CC(=O)C1(c2ccccc2)CC[NH+](Cc2csc(C)n2)CC1 ZINC000072169241 191068268 /nfs/dbraw/zinc/06/82/68/191068268.db2.gz VOJLSSPPHJZGKS-UHFFFAOYSA-N 1 2 314.454 3.574 50 0 DHAALO COc1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072171459 191069418 /nfs/dbraw/zinc/06/94/18/191069418.db2.gz YOQUHLOMVAPRRR-IBGZPJMESA-N 1 2 322.412 3.694 50 0 DHAALO COc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000072171459 191069420 /nfs/dbraw/zinc/06/94/20/191069420.db2.gz YOQUHLOMVAPRRR-IBGZPJMESA-N 1 2 322.412 3.694 50 0 DHAALO CC[C@](C)([NH2+]Cc1nc(-c2ccco2)no1)c1nc(C)cs1 ZINC000072863913 191244740 /nfs/dbraw/zinc/24/47/40/191244740.db2.gz GPRNHUGQHDJAPD-HNNXBMFYSA-N 1 2 318.402 3.510 50 0 DHAALO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000003415584 181017183 /nfs/dbraw/zinc/01/71/83/181017183.db2.gz SJNWHWAKVAFGNY-UHFFFAOYSA-N 1 2 314.404 3.767 50 0 DHAALO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000003415584 181017184 /nfs/dbraw/zinc/01/71/84/181017184.db2.gz SJNWHWAKVAFGNY-UHFFFAOYSA-N 1 2 314.404 3.767 50 0 DHAALO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccs2)cc1Cl ZINC000003419713 181017655 /nfs/dbraw/zinc/01/76/55/181017655.db2.gz JOJGYJLCOCOKNM-UHFFFAOYSA-N 1 2 308.834 3.780 50 0 DHAALO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccs2)cc1Cl ZINC000003419713 181017656 /nfs/dbraw/zinc/01/76/56/181017656.db2.gz JOJGYJLCOCOKNM-UHFFFAOYSA-N 1 2 308.834 3.780 50 0 DHAALO CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000003538693 181031031 /nfs/dbraw/zinc/03/10/31/181031031.db2.gz NPNKDVRXHSUDQH-UHFFFAOYSA-N 1 2 301.217 3.664 50 0 DHAALO Cc1[nH+]c2cc(NC(=O)NCCC3=CCCCC3)ccc2n1C ZINC000004679320 181136300 /nfs/dbraw/zinc/13/63/00/181136300.db2.gz KJSTUBZBTQQLGT-UHFFFAOYSA-N 1 2 312.417 3.894 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1c(C)cccc1C ZINC000005386512 181238180 /nfs/dbraw/zinc/23/81/80/181238180.db2.gz URLWDJWMQGWYES-MRXNPFEDSA-N 1 2 324.424 3.655 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1C ZINC000005627676 181265293 /nfs/dbraw/zinc/26/52/93/181265293.db2.gz VMUIOIMZILURCZ-UHFFFAOYSA-N 1 2 313.788 3.945 50 0 DHAALO COC[C@H](NC(=O)Nc1cc[nH+]cc1C)c1ccc(Cl)cc1 ZINC000193594178 201081328 /nfs/dbraw/zinc/08/13/28/201081328.db2.gz KLVJRJWLEIAURU-HNNXBMFYSA-N 1 2 319.792 3.553 50 0 DHAALO Cc1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)c(C)[nH+]1 ZINC000194828524 201295985 /nfs/dbraw/zinc/29/59/85/201295985.db2.gz XSFZBZDLHBGBSS-UHFFFAOYSA-N 1 2 301.390 3.555 50 0 DHAALO CCO[C@@H](C)c1nc(C[N@@H+]2CCS[C@@H](CC)C2)cs1 ZINC000195531541 201399682 /nfs/dbraw/zinc/39/96/82/201399682.db2.gz WHGHSJUVDVVJQZ-AAEUAGOBSA-N 1 2 300.493 3.568 50 0 DHAALO CCO[C@@H](C)c1nc(C[N@H+]2CCS[C@@H](CC)C2)cs1 ZINC000195531541 201399684 /nfs/dbraw/zinc/39/96/84/201399684.db2.gz WHGHSJUVDVVJQZ-AAEUAGOBSA-N 1 2 300.493 3.568 50 0 DHAALO Cc1cc2nc(CCNc3nc(C)[nH+]c(C)c3C)[nH]c2cc1C ZINC000091650754 193084894 /nfs/dbraw/zinc/08/48/94/193084894.db2.gz GRUYVTAKLJYVFN-UHFFFAOYSA-N 1 2 309.417 3.550 50 0 DHAALO CCC(=O)Nc1cccc(CCc2[nH+]c3ccccc3n2C)c1 ZINC000015863709 182022507 /nfs/dbraw/zinc/02/25/07/182022507.db2.gz XGTGVZMYWQDFPD-UHFFFAOYSA-N 1 2 307.397 3.707 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1c(C)cccc1C ZINC000017340679 182084205 /nfs/dbraw/zinc/08/42/05/182084205.db2.gz JAFDIFDYSOOKGY-UHFFFAOYSA-N 1 2 307.397 3.854 50 0 DHAALO Fc1ccccc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019537603 182129570 /nfs/dbraw/zinc/12/95/70/182129570.db2.gz OFANBQPFOWDKQE-RMKNXTFCSA-N 1 2 310.416 3.657 50 0 DHAALO CCOc1ccccc1-c1nc(C[NH+]2CCSCC2)c(C)o1 ZINC000020906035 182253771 /nfs/dbraw/zinc/25/37/71/182253771.db2.gz LGJWKYKLGGMMHB-UHFFFAOYSA-N 1 2 318.442 3.598 50 0 DHAALO CC(=O)NCCCCCc1[nH+]c2ccccc2n1CC(C)C ZINC000020868240 182250638 /nfs/dbraw/zinc/25/06/38/182250638.db2.gz RIGIXVOWRZCOKJ-UHFFFAOYSA-N 1 2 301.434 3.541 50 0 DHAALO CCc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)[nH+]c1-c1ccccc1 ZINC000023369429 182358335 /nfs/dbraw/zinc/35/83/35/182358335.db2.gz NHJUIKJDKRNFOS-HNNXBMFYSA-N 1 2 311.429 3.611 50 0 DHAALO Cc1cc(NCCCn2cc[nH+]c2)nc2cc(Cl)ccc12 ZINC000023633991 182364348 /nfs/dbraw/zinc/36/43/48/182364348.db2.gz FOHACEQXUHKHNH-UHFFFAOYSA-N 1 2 300.793 3.895 50 0 DHAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000042203958 183241540 /nfs/dbraw/zinc/24/15/40/183241540.db2.gz QSRQMMYEAKXJGH-QGZVFWFLSA-N 1 2 313.351 3.578 50 0 DHAALO COCc1nc2scc(-c3ccccc3)c2c(-n2cc[nH+]c2)n1 ZINC000060277599 184145745 /nfs/dbraw/zinc/14/57/45/184145745.db2.gz ODLZRDNREQOEJV-UHFFFAOYSA-N 1 2 322.393 3.690 50 0 DHAALO O=C(CCCc1cccs1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120701182 195219086 /nfs/dbraw/zinc/21/90/86/195219086.db2.gz UMDPDZXCXUJYKF-CQSZACIVSA-N 1 2 303.431 3.548 50 0 DHAALO COc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1OC ZINC000014946286 257242828 /nfs/dbraw/zinc/24/28/28/257242828.db2.gz FKNKXRIEZUMVKB-UHFFFAOYSA-N 1 2 324.380 3.624 50 0 DHAALO CN(C)c1cc(NC(=O)CCc2ccccc2)c2ccccc2[nH+]1 ZINC000019805771 257268802 /nfs/dbraw/zinc/26/88/02/257268802.db2.gz WNILIKMVMBYLEN-UHFFFAOYSA-N 1 2 319.408 3.872 50 0 DHAALO Cc1ccc(N2CC[NH+](Cc3c(F)cccc3F)CC2)cc1 ZINC000055142182 134775574 /nfs/dbraw/zinc/77/55/74/134775574.db2.gz VOPRRTAKPHBCDE-UHFFFAOYSA-N 1 2 302.368 3.595 50 0 DHAALO CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331694064 336144737 /nfs/dbraw/zinc/14/47/37/336144737.db2.gz YABBJKFVTLHCHX-GJZGRUSLSA-N 1 2 318.465 3.514 50 0 DHAALO Cc1nnc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)s1 ZINC000376149805 337028357 /nfs/dbraw/zinc/02/83/57/337028357.db2.gz JPPFGRPVDTYISM-UHFFFAOYSA-N 1 2 323.849 3.543 50 0 DHAALO C[C@@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)n1cc[nH+]c1 ZINC000048333351 563696445 /nfs/dbraw/zinc/69/64/45/563696445.db2.gz KJGZGQWPECOTKO-SWLSCSKDSA-N 1 2 303.431 3.553 50 0 DHAALO CCc1[nH+]c(C)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000170608229 563907760 /nfs/dbraw/zinc/90/77/60/563907760.db2.gz MPESKOHVZNRLOW-UHFFFAOYSA-N 1 2 304.777 3.623 50 0 DHAALO Cc1nnc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)s1 ZINC000253418429 563925164 /nfs/dbraw/zinc/92/51/64/563925164.db2.gz LYEAKVMCYYSQLP-GFCCVEGCSA-N 1 2 322.503 3.806 50 0 DHAALO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccsc1 ZINC000007927132 563921088 /nfs/dbraw/zinc/92/10/88/563921088.db2.gz DTSWKOHTHRFZKF-UHFFFAOYSA-N 1 2 312.797 3.611 50 0 DHAALO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccsc1 ZINC000007927132 563921089 /nfs/dbraw/zinc/92/10/89/563921089.db2.gz DTSWKOHTHRFZKF-UHFFFAOYSA-N 1 2 312.797 3.611 50 0 DHAALO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034872644 563451962 /nfs/dbraw/zinc/45/19/62/563451962.db2.gz IFUGPBBKKTUWFO-OLZOCXBDSA-N 1 2 314.351 3.596 50 0 DHAALO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034872644 563451965 /nfs/dbraw/zinc/45/19/65/563451965.db2.gz IFUGPBBKKTUWFO-OLZOCXBDSA-N 1 2 314.351 3.596 50 0 DHAALO CC(C)c1[nH+]c2ccccc2n1C[C@H](O)COC1CCCCC1 ZINC000000446326 563255413 /nfs/dbraw/zinc/25/54/13/563255413.db2.gz XLHVWHBOXGIPJP-HNNXBMFYSA-N 1 2 316.445 3.870 50 0 DHAALO Nc1nc(N2CCCCC2)cc(Sc2ccc(Cl)cc2)[nH+]1 ZINC000001398028 563282771 /nfs/dbraw/zinc/28/27/71/563282771.db2.gz NNTQLPXNBUHABR-UHFFFAOYSA-N 1 2 320.849 3.854 50 0 DHAALO CC(C)Cc1nnc([C@H](C)Sc2[nH+]cc3ccccn32)o1 ZINC000071893922 563325573 /nfs/dbraw/zinc/32/55/73/563325573.db2.gz SMJNUHSAYHDWMO-NSHDSACASA-N 1 2 302.403 3.769 50 0 DHAALO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000011818890 563360180 /nfs/dbraw/zinc/36/01/80/563360180.db2.gz YNRRRCANZWHODV-MRXNPFEDSA-N 1 2 319.408 3.658 50 0 DHAALO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000011818890 563360182 /nfs/dbraw/zinc/36/01/82/563360182.db2.gz YNRRRCANZWHODV-MRXNPFEDSA-N 1 2 319.408 3.658 50 0 DHAALO CC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c1 ZINC000014109092 563395728 /nfs/dbraw/zinc/39/57/28/563395728.db2.gz GRGULULOZBYFHY-LBPRGKRZSA-N 1 2 316.426 3.582 50 0 DHAALO CC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)c1 ZINC000014109092 563395731 /nfs/dbraw/zinc/39/57/31/563395731.db2.gz GRGULULOZBYFHY-LBPRGKRZSA-N 1 2 316.426 3.582 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(C)c1C ZINC000032910903 563410804 /nfs/dbraw/zinc/41/08/04/563410804.db2.gz JKGYGVKCVBDHRB-UHFFFAOYSA-N 1 2 307.397 3.854 50 0 DHAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000030643017 563437597 /nfs/dbraw/zinc/43/75/97/563437597.db2.gz KDAHJPBBYZCYMH-QGZVFWFLSA-N 1 2 311.816 3.953 50 0 DHAALO Cc1nn(C)c(Cl)c1C[N@H+](C)CCOc1ccc(C)cc1C ZINC000055358880 563474724 /nfs/dbraw/zinc/47/47/24/563474724.db2.gz LYURAHRKOKJCOZ-UHFFFAOYSA-N 1 2 321.852 3.510 50 0 DHAALO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCOc1ccc(C)cc1C ZINC000055358880 563474727 /nfs/dbraw/zinc/47/47/27/563474727.db2.gz LYURAHRKOKJCOZ-UHFFFAOYSA-N 1 2 321.852 3.510 50 0 DHAALO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000096433203 563482290 /nfs/dbraw/zinc/48/22/90/563482290.db2.gz UQSKYLBHNJUIFC-GOEBONIOSA-N 1 2 315.417 3.565 50 0 DHAALO COc1ccc(C[N@H+](Cc2ncc(C)o2)C(C)(C)C)c(OC)c1 ZINC000096474633 563483587 /nfs/dbraw/zinc/48/35/87/563483587.db2.gz KQVSHSJSYGMMMF-UHFFFAOYSA-N 1 2 318.417 3.801 50 0 DHAALO COc1ccc(C[N@@H+](Cc2ncc(C)o2)C(C)(C)C)c(OC)c1 ZINC000096474633 563483590 /nfs/dbraw/zinc/48/35/90/563483590.db2.gz KQVSHSJSYGMMMF-UHFFFAOYSA-N 1 2 318.417 3.801 50 0 DHAALO CSCC[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(F)c(F)c1 ZINC000067654864 563488578 /nfs/dbraw/zinc/48/85/78/563488578.db2.gz BCMGQYNFBIGLAR-HNNXBMFYSA-N 1 2 323.412 3.540 50 0 DHAALO CSCC[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(F)c(F)c1 ZINC000067654863 563488844 /nfs/dbraw/zinc/48/88/44/563488844.db2.gz BCMGQYNFBIGLAR-OAHLLOKOSA-N 1 2 323.412 3.540 50 0 DHAALO CCc1c2ccccc2[nH]c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067789771 563491511 /nfs/dbraw/zinc/49/15/11/563491511.db2.gz SCGUZJYPWDNLMW-UHFFFAOYSA-N 1 2 308.385 3.515 50 0 DHAALO CCc1nnc(C[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)o1 ZINC000097112286 563506795 /nfs/dbraw/zinc/50/67/95/563506795.db2.gz DSZMXKVTPDPTPR-SECBINFHSA-N 1 2 305.765 3.882 50 0 DHAALO Fc1ccc(-c2ccc(Cn3cc[nH+]c3[C@@H]3CCOC3)o2)cc1 ZINC000077287650 563508472 /nfs/dbraw/zinc/50/84/72/563508472.db2.gz ZFWLERFQIKLKMM-CQSZACIVSA-N 1 2 312.344 3.834 50 0 DHAALO Cc1ccc2c(c1)c(Cn1cc[nH+]c1-c1ccsc1)nn2C ZINC000077485996 563510593 /nfs/dbraw/zinc/51/05/93/563510593.db2.gz CFWVUMSEZZCNKR-UHFFFAOYSA-N 1 2 308.410 3.855 50 0 DHAALO O=C(NCCc1c[nH+]c[nH]1)Nc1ccc(C2CCCCC2)cc1 ZINC000096137609 563534180 /nfs/dbraw/zinc/53/41/80/563534180.db2.gz DRTZZGPDDXJMEY-UHFFFAOYSA-N 1 2 312.417 3.822 50 0 DHAALO O=C(NCCc1c[nH]c[nH+]1)Nc1ccc(C2CCCCC2)cc1 ZINC000096137609 563534182 /nfs/dbraw/zinc/53/41/82/563534182.db2.gz DRTZZGPDDXJMEY-UHFFFAOYSA-N 1 2 312.417 3.822 50 0 DHAALO Cc1cc(-n2cccn2)ccc1C[N@H+](C)Cc1cc(C2CC2)on1 ZINC000097784891 563542626 /nfs/dbraw/zinc/54/26/26/563542626.db2.gz IDDYJFFAELEKOT-UHFFFAOYSA-N 1 2 322.412 3.678 50 0 DHAALO Cc1cc(-n2cccn2)ccc1C[N@@H+](C)Cc1cc(C2CC2)on1 ZINC000097784891 563542627 /nfs/dbraw/zinc/54/26/27/563542627.db2.gz IDDYJFFAELEKOT-UHFFFAOYSA-N 1 2 322.412 3.678 50 0 DHAALO CC(C)CNc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000000528997 563665132 /nfs/dbraw/zinc/66/51/32/563665132.db2.gz WDCQBQHTAJTKMU-UHFFFAOYSA-N 1 2 301.781 3.537 50 0 DHAALO CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OC)c1 ZINC000000532422 563665638 /nfs/dbraw/zinc/66/56/38/563665638.db2.gz UTLZKIROHMTMOL-UHFFFAOYSA-N 1 2 311.385 3.686 50 0 DHAALO CCC[C@@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000048223112 563693451 /nfs/dbraw/zinc/69/34/51/563693451.db2.gz KEQITQHGPFPRPP-QGZVFWFLSA-N 1 2 320.396 3.539 50 0 DHAALO CCC[C@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000048223111 563693482 /nfs/dbraw/zinc/69/34/82/563693482.db2.gz KEQITQHGPFPRPP-KRWDZBQOSA-N 1 2 320.396 3.539 50 0 DHAALO c1csc([C@H]2CCCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000215165599 563704435 /nfs/dbraw/zinc/70/44/35/563704435.db2.gz MKWOCSCSHFJKRR-CQSZACIVSA-N 1 2 314.414 3.853 50 0 DHAALO c1csc([C@H]2CCCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000215165599 563704441 /nfs/dbraw/zinc/70/44/41/563704441.db2.gz MKWOCSCSHFJKRR-CQSZACIVSA-N 1 2 314.414 3.853 50 0 DHAALO Cc1n[nH]c(C)c1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000215328512 563705441 /nfs/dbraw/zinc/70/54/41/563705441.db2.gz PDZPFNDRHQBTGQ-KRWDZBQOSA-N 1 2 309.417 3.630 50 0 DHAALO Cc1n[nH]c(C)c1C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000215328512 563705443 /nfs/dbraw/zinc/70/54/43/563705443.db2.gz PDZPFNDRHQBTGQ-KRWDZBQOSA-N 1 2 309.417 3.630 50 0 DHAALO Cc1noc(C)c1CN(C)Cc1c[nH+]cn1C1CCCCC1 ZINC000244842363 563780012 /nfs/dbraw/zinc/78/00/12/563780012.db2.gz UPIZVMQVEFMREP-UHFFFAOYSA-N 1 2 302.422 3.625 50 0 DHAALO Cc1noc([C@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000051992297 563783497 /nfs/dbraw/zinc/78/34/97/563783497.db2.gz ORANYJSIJRCQLO-AWEZNQCLSA-N 1 2 315.417 3.599 50 0 DHAALO Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000012525246 563797452 /nfs/dbraw/zinc/79/74/52/563797452.db2.gz ITHAUMBMSXXONL-INIZCTEOSA-N 1 2 319.408 3.980 50 0 DHAALO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1F ZINC000012520500 563797506 /nfs/dbraw/zinc/79/75/06/563797506.db2.gz ZBMFKVDPMHWVBS-UHFFFAOYSA-N 1 2 311.360 3.767 50 0 DHAALO CC(=O)c1c(F)cccc1N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012525604 563797722 /nfs/dbraw/zinc/79/77/22/563797722.db2.gz GJDGACIENSVHPG-GOSISDBHSA-N 1 2 323.371 3.963 50 0 DHAALO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)cc1 ZINC000012603789 563803014 /nfs/dbraw/zinc/80/30/14/563803014.db2.gz LFOGXPWEWXMIIL-UHFFFAOYSA-N 1 2 307.397 3.936 50 0 DHAALO O=[S@](Cc1cn2ccccc2[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000083977455 563819893 /nfs/dbraw/zinc/81/98/93/563819893.db2.gz BQSWROMOFSJTHM-QFIPXVFZSA-N 1 2 324.327 3.661 50 0 DHAALO O=c1cc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)occ1O ZINC000084594640 563828494 /nfs/dbraw/zinc/82/84/94/563828494.db2.gz SWIUCNMUCCWIJS-QGZVFWFLSA-N 1 2 324.380 3.554 50 0 DHAALO O=c1cc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)occ1O ZINC000084594640 563828498 /nfs/dbraw/zinc/82/84/98/563828498.db2.gz SWIUCNMUCCWIJS-QGZVFWFLSA-N 1 2 324.380 3.554 50 0 DHAALO C[C@@H](C(=O)Nc1cccc(Nc2ccccc2)c1)n1cc[nH+]c1 ZINC000075138612 563860975 /nfs/dbraw/zinc/86/09/75/563860975.db2.gz VQHVKLUWDGEVFF-AWEZNQCLSA-N 1 2 306.369 3.826 50 0 DHAALO CCc1c[nH+]ccc1NC(=O)c1c(C)oc(C)c1Br ZINC000075612031 563885074 /nfs/dbraw/zinc/88/50/74/563885074.db2.gz SBIXJSHHMUPKJQ-UHFFFAOYSA-N 1 2 323.190 3.869 50 0 DHAALO CC[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000006996534 563901020 /nfs/dbraw/zinc/90/10/20/563901020.db2.gz VCVRRUKVRDGVID-AWEZNQCLSA-N 1 2 302.447 3.830 50 0 DHAALO CC[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000006996534 563901021 /nfs/dbraw/zinc/90/10/21/563901021.db2.gz VCVRRUKVRDGVID-AWEZNQCLSA-N 1 2 302.447 3.830 50 0 DHAALO COc1ccc([NH2+]CCC(=O)c2ccc(F)cc2)c(OC)c1 ZINC000002520996 563915805 /nfs/dbraw/zinc/91/58/05/563915805.db2.gz WMBRAQHGLPYSMX-UHFFFAOYSA-N 1 2 303.333 3.528 50 0 DHAALO Cc1noc(C2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)n1 ZINC000054678001 563917061 /nfs/dbraw/zinc/91/70/61/563917061.db2.gz ABLZTLNFJLHCSO-UHFFFAOYSA-N 1 2 320.462 3.512 50 0 DHAALO Cc1nnc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)s1 ZINC000253418429 563925163 /nfs/dbraw/zinc/92/51/63/563925163.db2.gz LYEAKVMCYYSQLP-GFCCVEGCSA-N 1 2 322.503 3.806 50 0 DHAALO Cc1sc(CCNc2cc(C)[nH+]cn2)nc1-c1ccccc1 ZINC000095965714 563932633 /nfs/dbraw/zinc/93/26/33/563932633.db2.gz IEOIWLPIOOUYGW-UHFFFAOYSA-N 1 2 310.426 3.872 50 0 DHAALO Fc1ccc(Cn2cc[nH+]c2-c2ccnc(Cl)c2)cc1F ZINC000095990723 563934228 /nfs/dbraw/zinc/93/42/28/563934228.db2.gz COWROJRACAADSD-UHFFFAOYSA-N 1 2 305.715 3.925 50 0 DHAALO Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c2ccccc2n1 ZINC000096403397 563936667 /nfs/dbraw/zinc/93/66/67/563936667.db2.gz FMOVVNFHEQFPDB-QGZVFWFLSA-N 1 2 320.396 3.634 50 0 DHAALO O=C(c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)N1CCCC1 ZINC000096406143 563936682 /nfs/dbraw/zinc/93/66/82/563936682.db2.gz UPRSYQJGCIDYJA-UHFFFAOYSA-N 1 2 302.761 3.763 50 0 DHAALO O=C(c1cccc2ccccc21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000096403399 563936704 /nfs/dbraw/zinc/93/67/04/563936704.db2.gz NAIHXSLOAOWEER-QGZVFWFLSA-N 1 2 305.381 3.930 50 0 DHAALO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000096484844 563937340 /nfs/dbraw/zinc/93/73/40/563937340.db2.gz XOJGDRIPNUWCCW-UHFFFAOYSA-N 1 2 320.396 3.751 50 0 DHAALO CCn1nc(C2(c3ccccc3)CC2)nc1[C@@H]1CCCC[N@@H+]1C ZINC000670448625 563944396 /nfs/dbraw/zinc/94/43/96/563944396.db2.gz KXTXYRHBLLELPK-INIZCTEOSA-N 1 2 310.445 3.535 50 0 DHAALO CCn1nc(C2(c3ccccc3)CC2)nc1[C@@H]1CCCC[N@H+]1C ZINC000670448625 563944397 /nfs/dbraw/zinc/94/43/97/563944397.db2.gz KXTXYRHBLLELPK-INIZCTEOSA-N 1 2 310.445 3.535 50 0 DHAALO Cc1cccc(N2CC[NH+](CC(=O)c3ccc(C)cc3C)CC2)c1 ZINC000067206397 563948695 /nfs/dbraw/zinc/94/86/95/563948695.db2.gz ZEENYZMRMZPRJJ-UHFFFAOYSA-N 1 2 322.452 3.617 50 0 DHAALO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C(C)C)no2)c1 ZINC000067350695 563949204 /nfs/dbraw/zinc/94/92/04/563949204.db2.gz ZTOAMXMKZDUJOL-HNNXBMFYSA-N 1 2 301.390 3.539 50 0 DHAALO COc1cccc(C[N@H+]2CCC[C@H]2c2nc(C(C)C)no2)c1 ZINC000067350695 563949205 /nfs/dbraw/zinc/94/92/05/563949205.db2.gz ZTOAMXMKZDUJOL-HNNXBMFYSA-N 1 2 301.390 3.539 50 0 DHAALO C[C@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1cc[nH+]c1 ZINC000069443184 563952934 /nfs/dbraw/zinc/95/29/34/563952934.db2.gz ONIFCTRDBRFBAD-MRXNPFEDSA-N 1 2 319.408 3.770 50 0 DHAALO CC(C)n1cc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000069737077 563954349 /nfs/dbraw/zinc/95/43/49/563954349.db2.gz VOJSNJMAKVYJAY-LLVKDONJSA-N 1 2 317.824 3.845 50 0 DHAALO Cc1cccn2cc(COc3ccccc3Br)[nH+]c12 ZINC000009862694 563957840 /nfs/dbraw/zinc/95/78/40/563957840.db2.gz UJNAHRUWQPPLGH-UHFFFAOYSA-N 1 2 317.186 3.984 50 0 DHAALO c1csc(-c2nc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)co2)c1 ZINC000071810981 563958812 /nfs/dbraw/zinc/95/88/12/563958812.db2.gz FSQVYMGPENJHLL-KBPBESRZSA-N 1 2 304.415 3.547 50 0 DHAALO c1csc(-c2nc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)co2)c1 ZINC000071810981 563958813 /nfs/dbraw/zinc/95/88/13/563958813.db2.gz FSQVYMGPENJHLL-KBPBESRZSA-N 1 2 304.415 3.547 50 0 DHAALO O=C(N[C@H]1CCC[C@H]1n1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000071843155 563959241 /nfs/dbraw/zinc/95/92/41/563959241.db2.gz HZMOIRFFGTTYLX-ZWKOTPCHSA-N 1 2 305.381 3.560 50 0 DHAALO Cc1ccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccccn3)no2)s1 ZINC000076749859 563960754 /nfs/dbraw/zinc/96/07/54/563960754.db2.gz JSUKLACQRXAVHY-GFCCVEGCSA-N 1 2 314.414 3.695 50 0 DHAALO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccccn3)no2)s1 ZINC000076749859 563960755 /nfs/dbraw/zinc/96/07/55/563960755.db2.gz JSUKLACQRXAVHY-GFCCVEGCSA-N 1 2 314.414 3.695 50 0 DHAALO CCOC(=O)[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000025777309 568412781 /nfs/dbraw/zinc/41/27/81/568412781.db2.gz MCHAJLYOGQQAAM-LJQANCHMSA-N 1 2 322.408 3.604 50 0 DHAALO CC(C)c1ncc(C[NH2+]Cc2coc(-c3ccccc3)n2)cn1 ZINC000952984166 1032682453 /nfs/dbraw/zinc/68/24/53/1032682453.db2.gz IONOXKBHJZSEJO-UHFFFAOYSA-N 1 2 308.385 3.545 50 0 DHAALO CC1(C)Cc2cccc(C[NH2+]Cc3noc4c3CCCC4)c2O1 ZINC000367957633 1018197366 /nfs/dbraw/zinc/19/73/66/1018197366.db2.gz MMIBFGKZKGGKHX-UHFFFAOYSA-N 1 2 312.413 3.557 50 0 DHAALO Cc1ccc(C[NH+]2CC(n3c(C)cnc3-c3ccccc3)C2)o1 ZINC000581807379 1020909313 /nfs/dbraw/zinc/90/93/13/1020909313.db2.gz FEDSLYSKBLYYSN-UHFFFAOYSA-N 1 2 307.397 3.817 50 0 DHAALO CCC(=O)N1CCC[C@@H](Cn2c(C)c[nH+]c2-c2ccccc2)C1 ZINC000575547535 1020975370 /nfs/dbraw/zinc/97/53/70/1020975370.db2.gz HURJDAKNCBHFKX-MRXNPFEDSA-N 1 2 311.429 3.507 50 0 DHAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000007878353 1022841434 /nfs/dbraw/zinc/84/14/34/1022841434.db2.gz FBYQNPHGZVTTDR-AWEZNQCLSA-N 1 2 314.454 3.923 50 0 DHAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000007878353 1022841450 /nfs/dbraw/zinc/84/14/50/1022841450.db2.gz FBYQNPHGZVTTDR-AWEZNQCLSA-N 1 2 314.454 3.923 50 0 DHAALO C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccncc1Cl ZINC000421805257 1027052683 /nfs/dbraw/zinc/05/26/83/1027052683.db2.gz WJJHOLNCIQZDAD-BBRMVZONSA-N 1 2 319.836 3.816 50 0 DHAALO O=C(Nc1c(F)cc(F)cc1F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088391615 185248230 /nfs/dbraw/zinc/24/82/30/185248230.db2.gz DDPHXFIGCBERGG-GFCCVEGCSA-N 1 2 324.306 3.586 50 0 DHAALO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1OC ZINC000092729924 185336458 /nfs/dbraw/zinc/33/64/58/185336458.db2.gz IIBYNMAVASCSMM-OAHLLOKOSA-N 1 2 315.417 3.544 50 0 DHAALO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1OC ZINC000092729924 185336459 /nfs/dbraw/zinc/33/64/59/185336459.db2.gz IIBYNMAVASCSMM-OAHLLOKOSA-N 1 2 315.417 3.544 50 0 DHAALO CCOc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1OC ZINC000092729924 185336460 /nfs/dbraw/zinc/33/64/60/185336460.db2.gz IIBYNMAVASCSMM-OAHLLOKOSA-N 1 2 315.417 3.544 50 0 DHAALO FC(F)(F)c1nn(Cc2csc(C3CC3)n2)c2cc[nH+]cc21 ZINC000092918168 185349137 /nfs/dbraw/zinc/34/91/37/185349137.db2.gz ZFGBSIYXNXPVTM-UHFFFAOYSA-N 1 2 324.331 3.832 50 0 DHAALO O=C(Nc1ncccc1-c1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000181427559 199294709 /nfs/dbraw/zinc/29/47/09/199294709.db2.gz CSPYKVTWTINMIN-UHFFFAOYSA-N 1 2 314.348 3.649 50 0 DHAALO Cc1cc2ccccc2[nH+]c1NCc1ccc([S@@](C)=O)cc1 ZINC000095426323 185361870 /nfs/dbraw/zinc/36/18/70/185361870.db2.gz SIDWOGJMPBOFJR-QFIPXVFZSA-N 1 2 310.422 3.893 50 0 DHAALO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000095467283 185372227 /nfs/dbraw/zinc/37/22/27/185372227.db2.gz WEICOKMDHXRLGJ-LBPRGKRZSA-N 1 2 324.306 3.798 50 0 DHAALO C[N@H+](CCOc1ccccc1)Cc1ccnc(Cl)c1Cl ZINC000225637113 186285790 /nfs/dbraw/zinc/28/57/90/186285790.db2.gz BGWGYFFUMQERBP-UHFFFAOYSA-N 1 2 311.212 3.899 50 0 DHAALO C[N@@H+](CCOc1ccccc1)Cc1ccnc(Cl)c1Cl ZINC000225637113 186285792 /nfs/dbraw/zinc/28/57/92/186285792.db2.gz BGWGYFFUMQERBP-UHFFFAOYSA-N 1 2 311.212 3.899 50 0 DHAALO C[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000253392639 186302762 /nfs/dbraw/zinc/30/27/62/186302762.db2.gz SCYKMURPJHQTAL-UONOGXRCSA-N 1 2 302.422 3.599 50 0 DHAALO C[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)[C@@H](c2ccco2)C1 ZINC000253392639 186302764 /nfs/dbraw/zinc/30/27/64/186302764.db2.gz SCYKMURPJHQTAL-UONOGXRCSA-N 1 2 302.422 3.599 50 0 DHAALO Cc1ccc(NC(=O)COc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000003411750 181016513 /nfs/dbraw/zinc/01/65/13/181016513.db2.gz GFWIPGONJPKWPO-UHFFFAOYSA-N 1 2 321.380 3.507 50 0 DHAALO CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000003538704 181031487 /nfs/dbraw/zinc/03/14/87/181031487.db2.gz RDIHYWOBRHKJAL-UHFFFAOYSA-N 1 2 301.217 3.664 50 0 DHAALO Cc1ccc2[nH+]c(CSc3nnc(-c4ccco4)o3)cn2c1 ZINC000006371220 181334881 /nfs/dbraw/zinc/33/48/81/181334881.db2.gz LQNDAKBUAHRIED-UHFFFAOYSA-N 1 2 312.354 3.578 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Oc1c(C)cccc1C ZINC000006653460 181365806 /nfs/dbraw/zinc/36/58/06/181365806.db2.gz NJGKGITVQGBCJH-UHFFFAOYSA-N 1 2 308.381 3.821 50 0 DHAALO CC(C)=CCC[C@@]1(C)CCC(=O)N(CCCc2[nH]cc[nH+]2)C1 ZINC000091381141 193048636 /nfs/dbraw/zinc/04/86/36/193048636.db2.gz OQEKVNLYEJYLSY-SFHVURJKSA-N 1 2 303.450 3.717 50 0 DHAALO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(-c4cccnc4)o3)CCO2)o1 ZINC000093864671 193321354 /nfs/dbraw/zinc/32/13/54/193321354.db2.gz XMLXNACAVVGONC-IBGZPJMESA-N 1 2 324.380 3.817 50 0 DHAALO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(-c4cccnc4)o3)CCO2)o1 ZINC000093864671 193321355 /nfs/dbraw/zinc/32/13/55/193321355.db2.gz XMLXNACAVVGONC-IBGZPJMESA-N 1 2 324.380 3.817 50 0 DHAALO C[N@@H+]1CCc2nc(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000015880117 182024059 /nfs/dbraw/zinc/02/40/59/182024059.db2.gz YZLDBYVMRYZMAP-UHFFFAOYSA-N 1 2 323.421 3.537 50 0 DHAALO C[N@H+]1CCc2nc(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000015880117 182024060 /nfs/dbraw/zinc/02/40/60/182024060.db2.gz YZLDBYVMRYZMAP-UHFFFAOYSA-N 1 2 323.421 3.537 50 0 DHAALO CCCCNc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017270441 182080627 /nfs/dbraw/zinc/08/06/27/182080627.db2.gz OBVOFOIHBQVDMN-UHFFFAOYSA-N 1 2 301.781 3.681 50 0 DHAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(O)c2)no1 ZINC000021720167 182286098 /nfs/dbraw/zinc/28/60/98/182286098.db2.gz LPPCPTOUZCBGCW-INIZCTEOSA-N 1 2 316.401 3.678 50 0 DHAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(O)c2)no1 ZINC000021720167 182286101 /nfs/dbraw/zinc/28/61/01/182286101.db2.gz LPPCPTOUZCBGCW-INIZCTEOSA-N 1 2 316.401 3.678 50 0 DHAALO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1OC ZINC000021720584 182286424 /nfs/dbraw/zinc/28/64/24/182286424.db2.gz XXBGETQLVZWFCH-MRXNPFEDSA-N 1 2 316.401 3.727 50 0 DHAALO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1OC ZINC000021720584 182286427 /nfs/dbraw/zinc/28/64/27/182286427.db2.gz XXBGETQLVZWFCH-MRXNPFEDSA-N 1 2 316.401 3.727 50 0 DHAALO Cc1cc2[nH+]cn(CC(=O)NCCC3=CCCCC3)c2cc1C ZINC000022814192 182336067 /nfs/dbraw/zinc/33/60/67/182336067.db2.gz XTUPVDLAHHXYLU-UHFFFAOYSA-N 1 2 311.429 3.660 50 0 DHAALO CC(=O)c1ccccc1OCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000022817835 182336246 /nfs/dbraw/zinc/33/62/46/182336246.db2.gz IPRZQNZBMYHAEN-UHFFFAOYSA-N 1 2 308.381 3.935 50 0 DHAALO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+](C)Cc1ccco1 ZINC000023732505 182367273 /nfs/dbraw/zinc/36/72/73/182367273.db2.gz GOLVJJBUTQYCIU-LLVKDONJSA-N 1 2 301.321 3.662 50 0 DHAALO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+](C)Cc1ccco1 ZINC000023732505 182367275 /nfs/dbraw/zinc/36/72/75/182367275.db2.gz GOLVJJBUTQYCIU-LLVKDONJSA-N 1 2 301.321 3.662 50 0 DHAALO C[C@@H](c1cccs1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050582 182373390 /nfs/dbraw/zinc/37/33/90/182373390.db2.gz MOZBGDPFRIZRLX-ZDUSSCGKSA-N 1 2 311.410 3.767 50 0 DHAALO Cc1cccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000024761790 182389666 /nfs/dbraw/zinc/38/96/66/182389666.db2.gz QGWQXVFYNDPWKR-UHFFFAOYSA-N 1 2 320.396 3.718 50 0 DHAALO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]2c2cccs2)cs1 ZINC000024821974 182392340 /nfs/dbraw/zinc/39/23/40/182392340.db2.gz OXECJHOSDPOBBM-LBPRGKRZSA-N 1 2 307.444 3.500 50 0 DHAALO CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2c2cccs2)cs1 ZINC000024821974 182392343 /nfs/dbraw/zinc/39/23/43/182392343.db2.gz OXECJHOSDPOBBM-LBPRGKRZSA-N 1 2 307.444 3.500 50 0 DHAALO Cc1ccc(-c2nc(C[NH+]3C[C@H](C)O[C@@H](C)C3)co2)c(C)c1 ZINC000029922416 182580773 /nfs/dbraw/zinc/58/07/73/182580773.db2.gz WLOOTNVQZMCAGS-GJZGRUSLSA-N 1 2 300.402 3.568 50 0 DHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)cc1 ZINC000040066907 183030936 /nfs/dbraw/zinc/03/09/36/183030936.db2.gz TXHISLOTSPFLTO-OAHLLOKOSA-N 1 2 315.417 3.713 50 0 DHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)cc1 ZINC000040066907 183030939 /nfs/dbraw/zinc/03/09/39/183030939.db2.gz TXHISLOTSPFLTO-OAHLLOKOSA-N 1 2 315.417 3.713 50 0 DHAALO COCCNc1nc(N[C@H](C)c2ccccc2)c2ccccc2[nH+]1 ZINC000041154042 183178268 /nfs/dbraw/zinc/17/82/68/183178268.db2.gz ZAABLZAQUFOCSG-CQSZACIVSA-N 1 2 322.412 3.861 50 0 DHAALO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000057901099 184060971 /nfs/dbraw/zinc/06/09/71/184060971.db2.gz RCORSZWEMPLIFI-RNCFNFMXSA-N 1 2 304.217 3.671 50 0 DHAALO Cc1ccc(/C=C/C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)o1 ZINC000058051568 184071763 /nfs/dbraw/zinc/07/17/63/184071763.db2.gz YIJYLAJUTZRWEZ-DHZHZOJOSA-N 1 2 321.380 3.854 50 0 DHAALO Cc1cn2cc(NC(=O)C3(c4cccc(F)c4)CCC3)ccc2[nH+]1 ZINC000058419064 184115202 /nfs/dbraw/zinc/11/52/02/184115202.db2.gz GZCCAMJWWOZAOI-UHFFFAOYSA-N 1 2 323.371 3.842 50 0 DHAALO Cc1cn2cc(NC(=O)Cn3c(C)cc4ccccc43)ccc2[nH+]1 ZINC000058416940 184115521 /nfs/dbraw/zinc/11/55/21/184115521.db2.gz CYBLIHGJJUOZNX-UHFFFAOYSA-N 1 2 318.380 3.545 50 0 DHAALO CN(C)C(=O)c1cccc(-c2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000065178392 184313863 /nfs/dbraw/zinc/31/38/63/184313863.db2.gz MNHPQPSVGDKKFG-UHFFFAOYSA-N 1 2 323.440 3.831 50 0 DHAALO NC(=O)CCn1c[nH+]c(-c2ccccc2)c1CCC1CCCC1 ZINC000065371169 184329899 /nfs/dbraw/zinc/32/98/99/184329899.db2.gz BICBBNFNICAIDD-UHFFFAOYSA-N 1 2 311.429 3.548 50 0 DHAALO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1 ZINC000065607214 184372303 /nfs/dbraw/zinc/37/23/03/184372303.db2.gz BMYFVCWSHQQKIH-MRXNPFEDSA-N 1 2 308.385 3.710 50 0 DHAALO Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1 ZINC000065607214 184372304 /nfs/dbraw/zinc/37/23/04/184372304.db2.gz BMYFVCWSHQQKIH-MRXNPFEDSA-N 1 2 308.385 3.710 50 0 DHAALO Cc1ccccc1Cc1noc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000288926612 131345970 /nfs/dbraw/zinc/34/59/70/131345970.db2.gz VMQOULYJVAJPCW-UHFFFAOYSA-N 1 2 323.396 3.510 50 0 DHAALO Cc1ccccc1Cc1noc(C[N@H+]2CCCc3occc3C2)n1 ZINC000288926612 131345971 /nfs/dbraw/zinc/34/59/71/131345971.db2.gz VMQOULYJVAJPCW-UHFFFAOYSA-N 1 2 323.396 3.510 50 0 DHAALO Cc1ccc(NC(=O)N2CCC(c3nccs3)CC2)c(C)[nH+]1 ZINC000408448520 332554196 /nfs/dbraw/zinc/55/41/96/332554196.db2.gz WGRAOSXYZRBTFV-UHFFFAOYSA-N 1 2 316.430 3.566 50 0 DHAALO CCC[C@@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)c1[nH+]ccn1C ZINC000534646760 334307088 /nfs/dbraw/zinc/30/70/88/334307088.db2.gz SDDCFKILJCJVQY-MRXNPFEDSA-N 1 2 324.428 3.789 50 0 DHAALO CCOc1cc(C[NH2+]Cc2ncc[nH]2)c(Cl)cc1OC(C)C ZINC000055196769 563472628 /nfs/dbraw/zinc/47/26/28/563472628.db2.gz YFHZFLYVCWLWOU-UHFFFAOYSA-N 1 2 323.824 3.539 50 0 DHAALO CCOc1cc(CNCc2[nH]cc[nH+]2)c(Cl)cc1OC(C)C ZINC000055196769 563472629 /nfs/dbraw/zinc/47/26/29/563472629.db2.gz YFHZFLYVCWLWOU-UHFFFAOYSA-N 1 2 323.824 3.539 50 0 DHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000012997996 563376544 /nfs/dbraw/zinc/37/65/44/563376544.db2.gz IGYWFNYMRSDKTD-LLVKDONJSA-N 1 2 320.845 3.959 50 0 DHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000012997996 563376548 /nfs/dbraw/zinc/37/65/48/563376548.db2.gz IGYWFNYMRSDKTD-LLVKDONJSA-N 1 2 320.845 3.959 50 0 DHAALO Cc1[nH]c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2[nH+]1 ZINC000010896005 563419861 /nfs/dbraw/zinc/41/98/61/563419861.db2.gz FSHYKQHUNGMFRZ-UHFFFAOYSA-N 1 2 304.353 3.534 50 0 DHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccccc1F ZINC000026371927 563426146 /nfs/dbraw/zinc/42/61/46/563426146.db2.gz XKJPVTIPKDWJKU-NSHDSACASA-N 1 2 315.373 3.593 50 0 DHAALO Cc1ccccc1C[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000030645418 563437742 /nfs/dbraw/zinc/43/77/42/563437742.db2.gz WSYIJOHOAYLYLO-SFHVURJKSA-N 1 2 309.388 3.747 50 0 DHAALO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044935471 563464372 /nfs/dbraw/zinc/46/43/72/563464372.db2.gz AKADPJAEOQUJID-IBGZPJMESA-N 1 2 319.408 3.813 50 0 DHAALO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCSCC1 ZINC000055042478 563471174 /nfs/dbraw/zinc/47/11/74/563471174.db2.gz ZZHKXEOOMKXCMB-UHFFFAOYSA-N 1 2 308.834 3.852 50 0 DHAALO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2F)o1)c1nnc[nH]1 ZINC000055211282 563472998 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CCn1cc[nH+]c1CN(C)C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000067473028 563488047 /nfs/dbraw/zinc/48/80/47/563488047.db2.gz HTTMCLYGVYOWDW-UHFFFAOYSA-N 1 2 324.428 3.582 50 0 DHAALO Cc1ccccc1-c1[nH+]ccn1CCc1n[nH]c2c1CCCC2 ZINC000067741745 563489638 /nfs/dbraw/zinc/48/96/38/563489638.db2.gz GMTFVSXQMXCWFW-UHFFFAOYSA-N 1 2 306.413 3.703 50 0 DHAALO Cc1ccccc1-c1[nH+]ccn1CCc1[nH]nc2c1CCCC2 ZINC000067741745 563489640 /nfs/dbraw/zinc/48/96/40/563489640.db2.gz GMTFVSXQMXCWFW-UHFFFAOYSA-N 1 2 306.413 3.703 50 0 DHAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc2ccccc2c1C ZINC000067773456 563490281 /nfs/dbraw/zinc/49/02/81/563490281.db2.gz VVKOSIDGSLXJAT-ZDUSSCGKSA-N 1 2 313.426 3.615 50 0 DHAALO CCc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC000067921002 563493523 /nfs/dbraw/zinc/49/35/23/563493523.db2.gz ALDDRNGBFNIUHT-FQEVSTJZSA-N 1 2 318.424 3.515 50 0 DHAALO CCc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC000067921002 563493525 /nfs/dbraw/zinc/49/35/25/563493525.db2.gz ALDDRNGBFNIUHT-FQEVSTJZSA-N 1 2 318.424 3.515 50 0 DHAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1CC1CCOCC1 ZINC000067872784 563493567 /nfs/dbraw/zinc/49/35/67/563493567.db2.gz LMZMJLNIEQQVBL-UHFFFAOYSA-N 1 2 322.412 3.675 50 0 DHAALO C[C@H](NC(=O)C[N@H+](C)Cc1ccco1)c1cccc2ccccc21 ZINC000011230838 563497897 /nfs/dbraw/zinc/49/78/97/563497897.db2.gz RXDQIGBXIHZDLO-HNNXBMFYSA-N 1 2 322.408 3.742 50 0 DHAALO C[C@H](NC(=O)C[N@@H+](C)Cc1ccco1)c1cccc2ccccc21 ZINC000011230838 563497900 /nfs/dbraw/zinc/49/79/00/563497900.db2.gz RXDQIGBXIHZDLO-HNNXBMFYSA-N 1 2 322.408 3.742 50 0 DHAALO CCc1cc([C@@H](C)Nc2nccc(-c3ccc(C)[nH+]c3C)n2)on1 ZINC000071415576 563499722 /nfs/dbraw/zinc/49/97/22/563499722.db2.gz YXXGURKXAVGEKX-CYBMUJFWSA-N 1 2 323.400 3.879 50 0 DHAALO Cc1nc([C@H](C)[N@@H+](C)Cc2ccnc(C(C)C)n2)c(C)s1 ZINC000071762219 563500756 /nfs/dbraw/zinc/50/07/56/563500756.db2.gz QILLMBHCNLFYCM-NSHDSACASA-N 1 2 304.463 3.866 50 0 DHAALO Cc1nc([C@H](C)[N@H+](C)Cc2ccnc(C(C)C)n2)c(C)s1 ZINC000071762219 563500759 /nfs/dbraw/zinc/50/07/59/563500759.db2.gz QILLMBHCNLFYCM-NSHDSACASA-N 1 2 304.463 3.866 50 0 DHAALO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)c3nnc(C)o3)c(C)c2c1 ZINC000097112131 563505896 /nfs/dbraw/zinc/50/58/96/563505896.db2.gz WNFWQFFAZCZHGY-GHMZBOCLSA-N 1 2 315.373 3.853 50 0 DHAALO CCc1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)no2)on1 ZINC000077454657 563510868 /nfs/dbraw/zinc/51/08/68/563510868.db2.gz OLJCLVZNELFYTK-MRXNPFEDSA-N 1 2 324.384 3.624 50 0 DHAALO CCc1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)no2)on1 ZINC000077454657 563510870 /nfs/dbraw/zinc/51/08/70/563510870.db2.gz OLJCLVZNELFYTK-MRXNPFEDSA-N 1 2 324.384 3.624 50 0 DHAALO c1csc(CC[C@H]2CCCC[N@@H+]2Cc2noc(C3CC3)n2)c1 ZINC000077565359 563511535 /nfs/dbraw/zinc/51/15/35/563511535.db2.gz OJFYHBQLDBUFGC-CQSZACIVSA-N 1 2 317.458 3.996 50 0 DHAALO c1csc(CC[C@H]2CCCC[N@H+]2Cc2noc(C3CC3)n2)c1 ZINC000077565359 563511538 /nfs/dbraw/zinc/51/15/38/563511538.db2.gz OJFYHBQLDBUFGC-CQSZACIVSA-N 1 2 317.458 3.996 50 0 DHAALO CC(C)c1nc(C[N@H+](C)Cc2c[nH]nc2-c2ccccc2)co1 ZINC000097634908 563541366 /nfs/dbraw/zinc/54/13/66/563541366.db2.gz HLCMPWJQPULHEY-UHFFFAOYSA-N 1 2 310.401 3.820 50 0 DHAALO CC(C)c1nc(C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)co1 ZINC000097634908 563541370 /nfs/dbraw/zinc/54/13/70/563541370.db2.gz HLCMPWJQPULHEY-UHFFFAOYSA-N 1 2 310.401 3.820 50 0 DHAALO COc1c(C)c[nH+]c(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1C ZINC000050448716 563587487 /nfs/dbraw/zinc/58/74/87/563587487.db2.gz LRJBFQZFERFCJE-GOEBONIOSA-N 1 2 316.445 3.562 50 0 DHAALO Cc1ccc(N2CC[N@@H+](Cc3ccccc3C)[C@@H](C)C2=O)cc1C ZINC000037519867 563597499 /nfs/dbraw/zinc/59/74/99/563597499.db2.gz YHNYCBAYMOPUJT-SFHVURJKSA-N 1 2 322.452 3.849 50 0 DHAALO Cc1ccc(N2CC[N@H+](Cc3ccccc3C)[C@@H](C)C2=O)cc1C ZINC000037519867 563597504 /nfs/dbraw/zinc/59/75/04/563597504.db2.gz YHNYCBAYMOPUJT-SFHVURJKSA-N 1 2 322.452 3.849 50 0 DHAALO Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000529445 563665194 /nfs/dbraw/zinc/66/51/94/563665194.db2.gz 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/nfs/dbraw/zinc/76/49/42/563764942.db2.gz DXODJVGXRABYIP-UHFFFAOYSA-N 1 2 315.388 3.780 50 0 DHAALO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012560420 563801762 /nfs/dbraw/zinc/80/17/62/563801762.db2.gz ISKJCGUXCYCXIP-QGZVFWFLSA-N 1 2 320.396 3.640 50 0 DHAALO CCCC[C@H]1C=CCN1C(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000299800639 563807028 /nfs/dbraw/zinc/80/70/28/563807028.db2.gz XDXBPSUTIIDDDB-INIZCTEOSA-N 1 2 323.440 3.871 50 0 DHAALO O=[S@@](Cc1cn2ccccc2[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000083977457 563820064 /nfs/dbraw/zinc/82/00/64/563820064.db2.gz BQSWROMOFSJTHM-JOCHJYFZSA-N 1 2 324.327 3.661 50 0 DHAALO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(C)no1 ZINC000084131711 563823872 /nfs/dbraw/zinc/82/38/72/563823872.db2.gz OOVFSGFLLFOXBA-QGZVFWFLSA-N 1 2 310.401 3.690 50 0 DHAALO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(C)no1 ZINC000084131711 563823873 /nfs/dbraw/zinc/82/38/73/563823873.db2.gz OOVFSGFLLFOXBA-QGZVFWFLSA-N 1 2 310.401 3.690 50 0 DHAALO Nc1cccc(CSc2ncc(-c3ccc(F)cc3)o2)[nH+]1 ZINC000191555957 563877265 /nfs/dbraw/zinc/87/72/65/563877265.db2.gz PGLLLENOVKKYRH-UHFFFAOYSA-N 1 2 301.346 3.750 50 0 DHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)s1 ZINC000241926431 563880978 /nfs/dbraw/zinc/88/09/78/563880978.db2.gz UGEDMKHJENWVRB-RTXFEEFZSA-N 1 2 313.850 3.708 50 0 DHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)s1 ZINC000241926431 563880981 /nfs/dbraw/zinc/88/09/81/563880981.db2.gz UGEDMKHJENWVRB-RTXFEEFZSA-N 1 2 313.850 3.708 50 0 DHAALO Cc1ccccc1-c1nc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000013322579 563909520 /nfs/dbraw/zinc/90/95/20/563909520.db2.gz DWKWOUORGYJLMO-OKILXGFUSA-N 1 2 302.443 3.728 50 0 DHAALO Cc1ccccc1-c1nc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000013322579 563909521 /nfs/dbraw/zinc/90/95/21/563909521.db2.gz DWKWOUORGYJLMO-OKILXGFUSA-N 1 2 302.443 3.728 50 0 DHAALO Fc1ccccc1C[N@@H+](Cc1nccn1C(F)F)C1CCC1 ZINC000089813916 563911468 /nfs/dbraw/zinc/91/14/68/563911468.db2.gz SKOSDGNKMULBAS-UHFFFAOYSA-N 1 2 309.335 3.972 50 0 DHAALO Fc1ccccc1C[N@H+](Cc1nccn1C(F)F)C1CCC1 ZINC000089813916 563911469 /nfs/dbraw/zinc/91/14/69/563911469.db2.gz SKOSDGNKMULBAS-UHFFFAOYSA-N 1 2 309.335 3.972 50 0 DHAALO CCc1nc([C@@H]2CCC[N@@H+]2Cc2cc(C)nc3ccccc23)no1 ZINC000076018020 563911654 /nfs/dbraw/zinc/91/16/54/563911654.db2.gz NQATXBBFVVDAOY-KRWDZBQOSA-N 1 2 322.412 3.826 50 0 DHAALO CCc1nc([C@@H]2CCC[N@H+]2Cc2cc(C)nc3ccccc23)no1 ZINC000076018020 563911655 /nfs/dbraw/zinc/91/16/55/563911655.db2.gz NQATXBBFVVDAOY-KRWDZBQOSA-N 1 2 322.412 3.826 50 0 DHAALO Fc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000089884660 563911896 /nfs/dbraw/zinc/91/18/96/563911896.db2.gz OQDNUAFHHHXOCE-MRXNPFEDSA-N 1 2 324.359 3.608 50 0 DHAALO Fc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000089884660 563911898 /nfs/dbraw/zinc/91/18/98/563911898.db2.gz OQDNUAFHHHXOCE-MRXNPFEDSA-N 1 2 324.359 3.608 50 0 DHAALO Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)o1 ZINC000007738641 563918629 /nfs/dbraw/zinc/91/86/29/563918629.db2.gz 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/nfs/dbraw/zinc/94/18/49/563941849.db2.gz WLOOTNVQZMCAGS-GASCZTMLSA-N 1 2 300.402 3.568 50 0 DHAALO Cc1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)nc(-c2ccncc2)[nH+]1 ZINC000057829150 563942811 /nfs/dbraw/zinc/94/28/11/563942811.db2.gz QCOMYGBJQPTCGB-SFYZZRBRSA-N 1 2 320.440 3.862 50 0 DHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000008118275 563946905 /nfs/dbraw/zinc/94/69/05/563946905.db2.gz YCJXVUMOBJUAKT-ZDUSSCGKSA-N 1 2 314.816 3.725 50 0 DHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000008118275 563946906 /nfs/dbraw/zinc/94/69/06/563946906.db2.gz YCJXVUMOBJUAKT-ZDUSSCGKSA-N 1 2 314.816 3.725 50 0 DHAALO c1oc(C[NH2+]Cc2nnc3n2CCCCC3)cc1-c1ccccc1 ZINC000069161052 563951954 /nfs/dbraw/zinc/95/19/54/563951954.db2.gz FLXFKTIYGZPEQN-UHFFFAOYSA-N 1 2 322.412 3.554 50 0 DHAALO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000069486587 563953269 /nfs/dbraw/zinc/95/32/69/563953269.db2.gz IXENYLZHKYRFRJ-LBPRGKRZSA-N 1 2 312.373 3.534 50 0 DHAALO Cc1noc(C)c1C[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000069486587 563953270 /nfs/dbraw/zinc/95/32/70/563953270.db2.gz IXENYLZHKYRFRJ-LBPRGKRZSA-N 1 2 312.373 3.534 50 0 DHAALO Clc1ccc(C2([NH2+]Cc3noc(C4CC4)n3)CCC2)cc1 ZINC000069809148 563954713 /nfs/dbraw/zinc/95/47/13/563954713.db2.gz NAJOYYKOJQQVEJ-UHFFFAOYSA-N 1 2 303.793 3.769 50 0 DHAALO C[C@H]1CN(c2ccc(Nc3nc4ccccc4o3)c[nH+]2)C[C@H](C)O1 ZINC000070039824 563955891 /nfs/dbraw/zinc/95/58/91/563955891.db2.gz NKXPCIUXAWDPAJ-STQMWFEESA-N 1 2 324.384 3.580 50 0 DHAALO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000009513323 563956424 /nfs/dbraw/zinc/95/64/24/563956424.db2.gz FANOQHFCKGPRBJ-AWEZNQCLSA-N 1 2 315.380 3.989 50 0 DHAALO COc1ccc(-c2csc3ncnc(-n4cc[nH+]c4)c23)cc1 ZINC000009603573 563957215 /nfs/dbraw/zinc/95/72/15/563957215.db2.gz DZSZYTGHGUVOMC-UHFFFAOYSA-N 1 2 308.366 3.553 50 0 DHAALO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000010341956 563958570 /nfs/dbraw/zinc/95/85/70/563958570.db2.gz BCHTWCMAYKSZMZ-AWEZNQCLSA-N 1 2 314.454 3.750 50 0 DHAALO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000010341956 563958571 /nfs/dbraw/zinc/95/85/71/563958571.db2.gz BCHTWCMAYKSZMZ-AWEZNQCLSA-N 1 2 314.454 3.750 50 0 DHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@H]3CCCC[C@H]32)c1 ZINC000077445032 563960649 /nfs/dbraw/zinc/96/06/49/563960649.db2.gz KLAUQSMGVWPVDI-WMLDXEAASA-N 1 2 324.428 3.884 50 0 DHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)N2Cc3ccccc3C2)c1 ZINC000077445687 563960743 /nfs/dbraw/zinc/96/07/43/563960743.db2.gz JXJDLKPTISPITI-UHFFFAOYSA-N 1 2 318.380 3.635 50 0 DHAALO Cc1ccc([C@H](C)[N@H+](C)Cc2nc(-c3ccccn3)no2)s1 ZINC000076749863 563960745 /nfs/dbraw/zinc/96/07/45/563960745.db2.gz JSUKLACQRXAVHY-LBPRGKRZSA-N 1 2 314.414 3.695 50 0 DHAALO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccccn3)no2)s1 ZINC000076749863 563960746 /nfs/dbraw/zinc/96/07/46/563960746.db2.gz JSUKLACQRXAVHY-LBPRGKRZSA-N 1 2 314.414 3.695 50 0 DHAALO C[C@H](Oc1ccc[nH+]c1NCc1ccnn1C)c1ccccc1 ZINC000097094792 568413593 /nfs/dbraw/zinc/41/35/93/568413593.db2.gz GZHSUEMRLKMFAD-AWEZNQCLSA-N 1 2 308.385 3.567 50 0 DHAALO CCCNc1nnc(SCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000078709158 568413917 /nfs/dbraw/zinc/41/39/17/568413917.db2.gz WZGKUAIKXWOLDN-UHFFFAOYSA-N 1 2 324.475 3.673 50 0 DHAALO CC[C@H]1C[N@H+](Cc2ccc(CO)o2)Cc2ccc(Cl)cc2O1 ZINC000299756519 1014727123 /nfs/dbraw/zinc/72/71/23/1014727123.db2.gz DIBLZIPVANLQOV-AWEZNQCLSA-N 1 2 321.804 3.599 50 0 DHAALO CC[C@H]1C[N@@H+](Cc2ccc(CO)o2)Cc2ccc(Cl)cc2O1 ZINC000299756519 1014727131 /nfs/dbraw/zinc/72/71/31/1014727131.db2.gz DIBLZIPVANLQOV-AWEZNQCLSA-N 1 2 321.804 3.599 50 0 DHAALO Cc1ccc(-c2cnc(CCC(=O)Nc3cc[nH+]c(C)c3)o2)cc1 ZINC000073300547 1017647049 /nfs/dbraw/zinc/64/70/49/1017647049.db2.gz JULROSFGAZKFCF-UHFFFAOYSA-N 1 2 321.380 3.925 50 0 DHAALO COc1ccc([C@H]2C[C@@H](n3cc[nH+]c3)ON2c2ccccc2)cc1 ZINC000039414200 1018617217 /nfs/dbraw/zinc/61/72/17/1018617217.db2.gz AFTAGWUIMKVNOV-MOPGFXCFSA-N 1 2 321.380 3.974 50 0 DHAALO CC(C)C[C@@H](c1nc(-c2ccccc2F)no1)n1cc[nH+]c1 ZINC000874435417 1021584583 /nfs/dbraw/zinc/58/45/83/1021584583.db2.gz RYALHJGADPXIMW-AWEZNQCLSA-N 1 2 300.337 3.708 50 0 DHAALO C[N@@H+]1/C(=C/C(=O)Nc2ccccc2)c2ccccc2CC1(C)C ZINC000103628670 1022092738 /nfs/dbraw/zinc/09/27/38/1022092738.db2.gz PANYDBOUIPAGQU-QGOAFFKASA-N 1 2 306.409 3.933 50 0 DHAALO C[N@H+]1/C(=C/C(=O)Nc2ccccc2)c2ccccc2CC1(C)C ZINC000103628670 1022092748 /nfs/dbraw/zinc/09/27/48/1022092748.db2.gz PANYDBOUIPAGQU-QGOAFFKASA-N 1 2 306.409 3.933 50 0 DHAALO CC1=NN(c2ccc(C)cc2)C(=O)C1=C[NH2+]Nc1ccc(C)cc1 ZINC000095471501 185372771 /nfs/dbraw/zinc/37/27/71/185372771.db2.gz YJPUANOKCZLSNX-PDGQHHTCSA-N 1 2 320.396 3.527 50 0 DHAALO Cc1c[nH]c(CN(C)C(=O)Nc2c(C)cc(Cl)cc2C)[nH+]1 ZINC000095517597 185376910 /nfs/dbraw/zinc/37/69/10/185376910.db2.gz SPCNARDBSDHVQK-UHFFFAOYSA-N 1 2 306.797 3.652 50 0 DHAALO c1csc(-c2nnc(C[N@@H+]3CCCc4sccc4C3)o2)c1 ZINC000095398400 185353559 /nfs/dbraw/zinc/35/35/59/185353559.db2.gz AUKWDPDCXWGTMG-UHFFFAOYSA-N 1 2 317.439 3.808 50 0 DHAALO c1csc(-c2nnc(C[N@H+]3CCCc4sccc4C3)o2)c1 ZINC000095398400 185353560 /nfs/dbraw/zinc/35/35/60/185353560.db2.gz AUKWDPDCXWGTMG-UHFFFAOYSA-N 1 2 317.439 3.808 50 0 DHAALO CCc1nc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000095422162 185360793 /nfs/dbraw/zinc/36/07/93/185360793.db2.gz WVUIOJNRRWLASF-LLVKDONJSA-N 1 2 307.438 3.761 50 0 DHAALO C=Cc1cccc([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2cccnc2)c1 ZINC000071749035 191020553 /nfs/dbraw/zinc/02/05/53/191020553.db2.gz QVTRQDRLBQFZDT-HXUWFJFHSA-N 1 2 316.408 3.595 50 0 DHAALO C=Cc1cccc([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2cccnc2)c1 ZINC000071749035 191020556 /nfs/dbraw/zinc/02/05/56/191020556.db2.gz QVTRQDRLBQFZDT-HXUWFJFHSA-N 1 2 316.408 3.595 50 0 DHAALO CCCCc1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)s1 ZINC000071749266 191022218 /nfs/dbraw/zinc/02/22/18/191022218.db2.gz WDCFJNWTHWLFAA-ZDUSSCGKSA-N 1 2 307.381 3.854 50 0 DHAALO CCCCc1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)s1 ZINC000071749266 191022220 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Cc1cc(C)c(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)c(C)[nH+]1 ZINC000253397897 186306492 /nfs/dbraw/zinc/30/64/92/186306492.db2.gz GIGZWOHQTUWVLU-JXFKEZNVSA-N 1 2 322.408 3.686 50 0 DHAALO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C ZINC000003323138 181005703 /nfs/dbraw/zinc/00/57/03/181005703.db2.gz JKLQSXDQSOUSLL-UHFFFAOYSA-N 1 2 300.377 3.513 50 0 DHAALO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c1C ZINC000003323138 181005704 /nfs/dbraw/zinc/00/57/04/181005704.db2.gz JKLQSXDQSOUSLL-UHFFFAOYSA-N 1 2 300.377 3.513 50 0 DHAALO CCCc1[nH+]cc([C@@](O)(c2ccccc2)c2ccc(C)cc2)n1C ZINC000004494530 181115259 /nfs/dbraw/zinc/11/52/59/181115259.db2.gz HJNXALNUPFFVRE-OAQYLSRUSA-N 1 2 320.436 3.965 50 0 DHAALO CN(C)C(=C1C(Cl)=C(Cl)C(Cl)=C1Cl)[NH+](C)C ZINC000006125796 181314858 /nfs/dbraw/zinc/31/48/58/181314858.db2.gz BNJLTUZFBJAKLD-UHFFFAOYSA-N 1 2 302.032 3.713 50 0 DHAALO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ncc[nH]1)c1cccnc1)CCC2 ZINC000195085796 201337497 /nfs/dbraw/zinc/33/74/97/201337497.db2.gz NFHPSMSZWNJHII-OALUTQOASA-N 1 2 318.424 3.870 50 0 DHAALO Cc1cccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000016903745 182064013 /nfs/dbraw/zinc/06/40/13/182064013.db2.gz BXTPOAHNTWKGKA-MRXNPFEDSA-N 1 2 322.408 3.662 50 0 DHAALO Fc1cnc(C[NH+]2CCC(Cc3ccccc3F)CC2)c(F)c1 ZINC000019224225 182108139 /nfs/dbraw/zinc/10/81/39/182108139.db2.gz MKRTWKMRFGYZMQ-UHFFFAOYSA-N 1 2 320.358 3.954 50 0 DHAALO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000019536913 182129073 /nfs/dbraw/zinc/12/90/73/182129073.db2.gz RQXQEJJCBXCDBO-UHFFFAOYSA-N 1 2 319.351 3.540 50 0 DHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000019536913 182129074 /nfs/dbraw/zinc/12/90/74/182129074.db2.gz RQXQEJJCBXCDBO-UHFFFAOYSA-N 1 2 319.351 3.540 50 0 DHAALO CCCn1c2ccccc2n(CCOc2ccccc2C)c1=[NH2+] ZINC000020149569 182192136 /nfs/dbraw/zinc/19/21/36/182192136.db2.gz SMIOCKLLWYODNG-UHFFFAOYSA-N 1 2 309.413 3.720 50 0 DHAALO Cn1c[nH+]cc1Cn1ccc(-c2cccc(-c3ccoc3)c2)n1 ZINC000020208719 182197473 /nfs/dbraw/zinc/19/74/73/182197473.db2.gz JOQLLSOGPNPMSC-UHFFFAOYSA-N 1 2 304.353 3.592 50 0 DHAALO Cc1ccc(-c2nc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000020394147 182214264 /nfs/dbraw/zinc/21/42/64/182214264.db2.gz TZFFWVAYERVOFY-KBPBESRZSA-N 1 2 302.443 3.728 50 0 DHAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020963688 182256654 /nfs/dbraw/zinc/25/66/54/182256654.db2.gz JETKPNKLDQCJMG-TUAOUCFPSA-N 1 2 321.808 3.560 50 0 DHAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020963688 182256657 /nfs/dbraw/zinc/25/66/57/182256657.db2.gz JETKPNKLDQCJMG-TUAOUCFPSA-N 1 2 321.808 3.560 50 0 DHAALO O=C(Nc1cnc2ccccc2c1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000020996563 182258131 /nfs/dbraw/zinc/25/81/31/182258131.db2.gz OZPRNBQYICZFLX-UHFFFAOYSA-N 1 2 314.348 3.877 50 0 DHAALO CCCC(=O)Nc1ccc(Nc2nc(NCC)cc(C)[nH+]2)cc1 ZINC000023993835 182371462 /nfs/dbraw/zinc/37/14/62/182371462.db2.gz YIVFQMDMRKUKMS-UHFFFAOYSA-N 1 2 313.405 3.699 50 0 DHAALO CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C ZINC000024013003 182372493 /nfs/dbraw/zinc/37/24/93/182372493.db2.gz CJUSROLDXWEYGV-LLVKDONJSA-N 1 2 315.808 3.988 50 0 DHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1cccs1)C1CC1 ZINC000040088939 183032523 /nfs/dbraw/zinc/03/25/23/183032523.db2.gz IBWZYECGZVUNDC-UHFFFAOYSA-N 1 2 323.421 3.739 50 0 DHAALO Cc1cccc(-c2nc(CSc3[nH+]cc4ccccn43)no2)c1 ZINC000040088671 183032761 /nfs/dbraw/zinc/03/27/61/183032761.db2.gz APBGOZVLXWMWAK-UHFFFAOYSA-N 1 2 322.393 3.985 50 0 DHAALO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccccc1F ZINC000040466242 183072370 /nfs/dbraw/zinc/07/23/70/183072370.db2.gz SNJVKNOEWGMTSS-NSHDSACASA-N 1 2 315.323 3.866 50 0 DHAALO C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl ZINC000057703513 184047367 /nfs/dbraw/zinc/04/73/67/184047367.db2.gz ABIWDPPNYCKXMD-SUMWQHHRSA-N 1 2 316.832 3.820 50 0 DHAALO C[N@@H+](Cc1ccccc1)CN1c2cccc3cccc(c23)C1=O ZINC000057815951 184055597 /nfs/dbraw/zinc/05/55/97/184055597.db2.gz AVURMAHQLPNVJB-UHFFFAOYSA-N 1 2 302.377 3.890 50 0 DHAALO C[N@H+](Cc1ccccc1)CN1c2cccc3cccc(c23)C1=O ZINC000057815951 184055599 /nfs/dbraw/zinc/05/55/99/184055599.db2.gz AVURMAHQLPNVJB-UHFFFAOYSA-N 1 2 302.377 3.890 50 0 DHAALO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000057901111 184061296 /nfs/dbraw/zinc/06/12/96/184061296.db2.gz RCORSZWEMPLIFI-TVQRCGJNSA-N 1 2 304.217 3.671 50 0 DHAALO Cn1ccnc1C[N@H+](Cc1ccc(-c2ccccn2)cc1)C1CC1 ZINC000065385802 184333204 /nfs/dbraw/zinc/33/32/04/184333204.db2.gz JJZWJZDBBDWFIO-UHFFFAOYSA-N 1 2 318.424 3.647 50 0 DHAALO Cn1ccnc1C[N@@H+](Cc1ccc(-c2ccccn2)cc1)C1CC1 ZINC000065385802 184333205 /nfs/dbraw/zinc/33/32/05/184333205.db2.gz JJZWJZDBBDWFIO-UHFFFAOYSA-N 1 2 318.424 3.647 50 0 DHAALO CSCCc1c(-c2ccccc2)[nH+]cn1CC1CCOCC1 ZINC000065525742 184359799 /nfs/dbraw/zinc/35/97/99/184359799.db2.gz LUZMRJSXFMIYFM-UHFFFAOYSA-N 1 2 316.470 3.882 50 0 DHAALO Cc1cc(NC(=O)c2cccc(C)c2Br)cc[nH+]1 ZINC000120757801 195230922 /nfs/dbraw/zinc/23/09/22/195230922.db2.gz OYYSCLBVWKBGDC-UHFFFAOYSA-N 1 2 305.175 3.713 50 0 DHAALO Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)Cc1cc(C2CC2)n[nH]1 ZINC000216473190 257273297 /nfs/dbraw/zinc/27/32/97/257273297.db2.gz MSUGVVXAMUAFJZ-UHFFFAOYSA-N 1 2 312.392 3.848 50 0 DHAALO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)Cc1cc(C2CC2)n[nH]1 ZINC000216473190 257273299 /nfs/dbraw/zinc/27/32/99/257273299.db2.gz MSUGVVXAMUAFJZ-UHFFFAOYSA-N 1 2 312.392 3.848 50 0 DHAALO CC(C)C[N@H+](Cc1nncn1C)[C@H](C)c1ccccc1Cl ZINC000408516297 257255476 /nfs/dbraw/zinc/25/54/76/257255476.db2.gz UEXGOUJECLLKNI-CYBMUJFWSA-N 1 2 306.841 3.688 50 0 DHAALO CC(C)C[N@@H+](Cc1nncn1C)[C@H](C)c1ccccc1Cl ZINC000408516297 257255477 /nfs/dbraw/zinc/25/54/77/257255477.db2.gz UEXGOUJECLLKNI-CYBMUJFWSA-N 1 2 306.841 3.688 50 0 DHAALO Cc1cccc(Cl)c1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000133071083 196309456 /nfs/dbraw/zinc/30/94/56/196309456.db2.gz ATTQFUMTSSBOSH-UHFFFAOYSA-N 1 2 318.808 3.714 50 0 DHAALO Fc1ccccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000055544059 563475944 /nfs/dbraw/zinc/47/59/44/563475944.db2.gz KSDRURNLGLVCQX-UHFFFAOYSA-N 1 2 304.796 3.801 50 0 DHAALO Fc1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000055544009 563476386 /nfs/dbraw/zinc/47/63/86/563476386.db2.gz JCIVXXJVIRQONG-UHFFFAOYSA-N 1 2 304.796 3.801 50 0 DHAALO CCOC(=O)c1c[nH+]c2c(C)cccc2c1NCc1cccnc1 ZINC000000085168 563214697 /nfs/dbraw/zinc/21/46/97/563214697.db2.gz VWVFLPFLAWAVQV-UHFFFAOYSA-N 1 2 321.380 3.727 50 0 DHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1c(C)cc(C)cc1C ZINC000000106882 563218273 /nfs/dbraw/zinc/21/82/73/563218273.db2.gz QBPPMGBKEIAENS-KRWDZBQOSA-N 1 2 324.424 3.710 50 0 DHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(C)cc1 ZINC000000242817 563232751 /nfs/dbraw/zinc/23/27/51/563232751.db2.gz QVNBCTFNKHPFHY-INIZCTEOSA-N 1 2 324.424 3.737 50 0 DHAALO CCCc1noc(C[N@@H+]2CCCC[C@H]2c2cccc(OC)c2)n1 ZINC000012058144 563361936 /nfs/dbraw/zinc/36/19/36/563361936.db2.gz PQBOVUBXGBQHAA-INIZCTEOSA-N 1 2 315.417 3.758 50 0 DHAALO CCCc1noc(C[N@H+]2CCCC[C@H]2c2cccc(OC)c2)n1 ZINC000012058144 563361938 /nfs/dbraw/zinc/36/19/38/563361938.db2.gz PQBOVUBXGBQHAA-INIZCTEOSA-N 1 2 315.417 3.758 50 0 DHAALO CC(C)[C@H]1C[N@H+](Cc2ccccc2)[C@]2(C)c3ccccc3C(=O)N12 ZINC000032602390 563371617 /nfs/dbraw/zinc/37/16/17/563371617.db2.gz VYARWIQLNHRAML-CTNGQTDRSA-N 1 2 320.436 3.856 50 0 DHAALO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)[C@]2(C)c3ccccc3C(=O)N12 ZINC000032602390 563371618 /nfs/dbraw/zinc/37/16/18/563371618.db2.gz VYARWIQLNHRAML-CTNGQTDRSA-N 1 2 320.436 3.856 50 0 DHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000013001781 563377611 /nfs/dbraw/zinc/37/76/11/563377611.db2.gz QGBVQBYUZNTRER-UHFFFAOYSA-N 1 2 310.422 3.779 50 0 DHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000013001781 563377612 /nfs/dbraw/zinc/37/76/12/563377612.db2.gz QGBVQBYUZNTRER-UHFFFAOYSA-N 1 2 310.422 3.779 50 0 DHAALO O=C(Cn1c2ccccc2[nH+]c1N1CCCCC1)c1ccccc1 ZINC000013139577 563379366 /nfs/dbraw/zinc/37/93/66/563379366.db2.gz ITWSZJWNIIQOHB-UHFFFAOYSA-N 1 2 319.408 3.910 50 0 DHAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1c(F)cccc1F ZINC000014077186 563394788 /nfs/dbraw/zinc/39/47/88/563394788.db2.gz VCRKODWEOYVSMM-MRXNPFEDSA-N 1 2 316.351 3.740 50 0 DHAALO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1c(F)cccc1F ZINC000014077186 563394793 /nfs/dbraw/zinc/39/47/93/563394793.db2.gz VCRKODWEOYVSMM-MRXNPFEDSA-N 1 2 316.351 3.740 50 0 DHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1c(F)cccc1F ZINC000014077188 563394822 /nfs/dbraw/zinc/39/48/22/563394822.db2.gz VCRKODWEOYVSMM-INIZCTEOSA-N 1 2 316.351 3.740 50 0 DHAALO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1c(F)cccc1F ZINC000014077188 563394824 /nfs/dbraw/zinc/39/48/24/563394824.db2.gz VCRKODWEOYVSMM-INIZCTEOSA-N 1 2 316.351 3.740 50 0 DHAALO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCc2sccc2C1 ZINC000014160774 563397122 /nfs/dbraw/zinc/39/71/22/563397122.db2.gz UUPHLGOALNHRJU-UHFFFAOYSA-N 1 2 320.417 3.877 50 0 DHAALO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCc2sccc2C1 ZINC000014160774 563397125 /nfs/dbraw/zinc/39/71/25/563397125.db2.gz UUPHLGOALNHRJU-UHFFFAOYSA-N 1 2 320.417 3.877 50 0 DHAALO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014960612 563404220 /nfs/dbraw/zinc/40/42/20/563404220.db2.gz DAOYWGIYCJZNJI-PHIMTYICSA-N 1 2 322.355 3.537 50 0 DHAALO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014960612 563404226 /nfs/dbraw/zinc/40/42/26/563404226.db2.gz DAOYWGIYCJZNJI-PHIMTYICSA-N 1 2 322.355 3.537 50 0 DHAALO Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)o1 ZINC000014910173 563404413 /nfs/dbraw/zinc/40/44/13/563404413.db2.gz UUUPLFNXEJZOTP-UHFFFAOYSA-N 1 2 309.369 3.916 50 0 DHAALO CCc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000032913031 563411464 /nfs/dbraw/zinc/41/14/64/563411464.db2.gz ANIALMILNNWUKP-UHFFFAOYSA-N 1 2 305.381 3.746 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(C)c(C)c1 ZINC000032951033 563425263 /nfs/dbraw/zinc/42/52/63/563425263.db2.gz GJDNVBMNTYAYTE-UHFFFAOYSA-N 1 2 322.412 3.783 50 0 DHAALO Cc1c2nc(NCCCn3cc[nH+]c3)sc2ccc1Cl ZINC000034936057 563451872 /nfs/dbraw/zinc/45/18/72/563451872.db2.gz JHFSMAOFMFRMSR-UHFFFAOYSA-N 1 2 306.822 3.957 50 0 DHAALO c1coc(C[N@H+](Cc2cnn(-c3ccccc3)n2)C2CCCC2)c1 ZINC000058157975 563478536 /nfs/dbraw/zinc/47/85/36/563478536.db2.gz JCXCSWPZRXUWNB-UHFFFAOYSA-N 1 2 322.412 3.805 50 0 DHAALO c1coc(C[N@@H+](Cc2cnn(-c3ccccc3)n2)C2CCCC2)c1 ZINC000058157975 563478538 /nfs/dbraw/zinc/47/85/38/563478538.db2.gz JCXCSWPZRXUWNB-UHFFFAOYSA-N 1 2 322.412 3.805 50 0 DHAALO c1cc(C[N@@H+]2CCCC[C@H]2c2nncn2-c2ccccc2)co1 ZINC000097941595 563480791 /nfs/dbraw/zinc/48/07/91/563480791.db2.gz HZLLIOIFBYFTSM-KRWDZBQOSA-N 1 2 308.385 3.588 50 0 DHAALO c1cc(C[N@H+]2CCCC[C@H]2c2nncn2-c2ccccc2)co1 ZINC000097941595 563480795 /nfs/dbraw/zinc/48/07/95/563480795.db2.gz HZLLIOIFBYFTSM-KRWDZBQOSA-N 1 2 308.385 3.588 50 0 DHAALO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2nnc(C(C)C)o2)s1 ZINC000096424508 563481728 /nfs/dbraw/zinc/48/17/28/563481728.db2.gz YVYQHIXWBOFHSG-LLVKDONJSA-N 1 2 308.451 3.713 50 0 DHAALO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nnc(C(C)C)o2)s1 ZINC000096424508 563481732 /nfs/dbraw/zinc/48/17/32/563481732.db2.gz YVYQHIXWBOFHSG-LLVKDONJSA-N 1 2 308.451 3.713 50 0 DHAALO CCn1cnnc1C[N@H+](C)Cc1cccc2c3ccccc3oc21 ZINC000067788259 563490535 /nfs/dbraw/zinc/49/05/35/563490535.db2.gz DZVKLWOZIQVSQO-UHFFFAOYSA-N 1 2 320.396 3.829 50 0 DHAALO CCn1cnnc1C[N@@H+](C)Cc1cccc2c3ccccc3oc21 ZINC000067788259 563490537 /nfs/dbraw/zinc/49/05/37/563490537.db2.gz DZVKLWOZIQVSQO-UHFFFAOYSA-N 1 2 320.396 3.829 50 0 DHAALO Cc1cccc(-n2cnnc2[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000067805583 563491231 /nfs/dbraw/zinc/49/12/31/563491231.db2.gz MGSWEXGAGVHNPD-SFHVURJKSA-N 1 2 304.397 3.523 50 0 DHAALO Cc1cccc(-n2cnnc2[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000067805583 563491233 /nfs/dbraw/zinc/49/12/33/563491233.db2.gz MGSWEXGAGVHNPD-SFHVURJKSA-N 1 2 304.397 3.523 50 0 DHAALO Cc1ccc2[nH]c([C@@H](C(C)C)n3cc4[nH]cccc-4c3=O)[nH+]c2c1 ZINC000067821117 563491272 /nfs/dbraw/zinc/49/12/72/563491272.db2.gz ACXOESGQVZQNKU-QGZVFWFLSA-N 1 2 320.396 3.619 50 0 DHAALO CCOc1ccccc1-c1nccn1Cc1c[nH+]c2c(c1)CCC2 ZINC000067895172 563492902 /nfs/dbraw/zinc/49/29/02/563492902.db2.gz WWXREOVTMZMUGV-UHFFFAOYSA-N 1 2 319.408 3.881 50 0 DHAALO COc1ccccc1Cn1cc[nH+]c1-c1ccc(NC(C)=O)cc1 ZINC000071315463 563498319 /nfs/dbraw/zinc/49/83/19/563498319.db2.gz UUFBHLGLJAIBEC-UHFFFAOYSA-N 1 2 321.380 3.565 50 0 DHAALO CCCCNC(=O)c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033264740 563503460 /nfs/dbraw/zinc/50/34/60/563503460.db2.gz ITSKXHAYBTZSFG-UHFFFAOYSA-N 1 2 321.424 3.878 50 0 DHAALO CCc1cc([C@H](C)n2cc[nH+]c2-c2ccc(NC(C)=O)cc2)on1 ZINC000077287811 563508327 /nfs/dbraw/zinc/50/83/27/563508327.db2.gz VRINPKJHGJYQEP-LBPRGKRZSA-N 1 2 324.384 3.668 50 0 DHAALO O=C1CSc2ccccc2N1Cc1c[nH+]cn1C1CCCC1 ZINC000095372834 563529785 /nfs/dbraw/zinc/52/97/85/563529785.db2.gz GPWOPMAUCQNFQF-UHFFFAOYSA-N 1 2 313.426 3.637 50 0 DHAALO COc1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc2c1OCO2 ZINC000097370562 563539277 /nfs/dbraw/zinc/53/92/77/563539277.db2.gz ORDJKGVYWKIQQQ-HNNXBMFYSA-N 1 2 315.344 3.510 50 0 DHAALO COc1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc2c1OCO2 ZINC000097370562 563539279 /nfs/dbraw/zinc/53/92/79/563539279.db2.gz ORDJKGVYWKIQQQ-HNNXBMFYSA-N 1 2 315.344 3.510 50 0 DHAALO CC[C@@H](C)c1ccc(NC(=O)NCCCc2[nH]cc[nH+]2)cc1 ZINC000097446931 563539606 /nfs/dbraw/zinc/53/96/06/563539606.db2.gz WKRCFGFTPZKTKY-CYBMUJFWSA-N 1 2 300.406 3.678 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccccc2C)n1 ZINC000257176763 563569674 /nfs/dbraw/zinc/56/96/74/563569674.db2.gz URGZBWMDEFWRKI-UHFFFAOYSA-N 1 2 318.380 3.946 50 0 DHAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCC2)cc1 ZINC000000529437 563665190 /nfs/dbraw/zinc/66/51/90/563665190.db2.gz FJYSZUZJQNVUCZ-UHFFFAOYSA-N 1 2 313.792 3.823 50 0 DHAALO Cc1cc(NNc2ccccc2)nc(NCc2ccccc2)[nH+]1 ZINC000000550365 563669937 /nfs/dbraw/zinc/66/99/37/563669937.db2.gz JXFJWUWGNBHYPP-UHFFFAOYSA-N 1 2 305.385 3.836 50 0 DHAALO O=C(CCCc1cccs1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860115 563690481 /nfs/dbraw/zinc/69/04/81/563690481.db2.gz IVMJCFFDSWXZCJ-UHFFFAOYSA-N 1 2 311.410 3.895 50 0 DHAALO CC[C@H](C)Sc1ncc(C[N@@H+]2CCOC3(CCCC3)C2)cn1 ZINC000215478921 563705615 /nfs/dbraw/zinc/70/56/15/563705615.db2.gz QZVTZWNPCGJNFD-AWEZNQCLSA-N 1 2 321.490 3.512 50 0 DHAALO CC[C@H](C)Sc1ncc(C[N@H+]2CCOC3(CCCC3)C2)cn1 ZINC000215478921 563705619 /nfs/dbraw/zinc/70/56/19/563705619.db2.gz QZVTZWNPCGJNFD-AWEZNQCLSA-N 1 2 321.490 3.512 50 0 DHAALO C[N@H+](CC[C@@H]1CCCCO1)Cc1c(Cl)cncc1Cl ZINC000216364370 563709217 /nfs/dbraw/zinc/70/92/17/563709217.db2.gz DXXQNZNKFXOIDC-NSHDSACASA-N 1 2 303.233 3.779 50 0 DHAALO C[N@@H+](CC[C@@H]1CCCCO1)Cc1c(Cl)cncc1Cl ZINC000216364370 563709218 /nfs/dbraw/zinc/70/92/18/563709218.db2.gz DXXQNZNKFXOIDC-NSHDSACASA-N 1 2 303.233 3.779 50 0 DHAALO C[N@H+](CCCOc1ccccc1Cl)Cc1nccn1C1CC1 ZINC000252478776 563783860 /nfs/dbraw/zinc/78/38/60/563783860.db2.gz AVASSJIFVPKLJS-UHFFFAOYSA-N 1 2 319.836 3.772 50 0 DHAALO C[N@@H+](CCCOc1ccccc1Cl)Cc1nccn1C1CC1 ZINC000252478776 563783865 /nfs/dbraw/zinc/78/38/65/563783865.db2.gz 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ZINC000058087944 184074094 /nfs/dbraw/zinc/07/40/94/184074094.db2.gz NNARPOSTOLPBDJ-UHFFFAOYSA-N 1 2 320.396 3.811 50 0 DHAALO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058218590 184089863 /nfs/dbraw/zinc/08/98/63/184089863.db2.gz YDAPBHRJLCKNNR-UHFFFAOYSA-N 1 2 322.412 3.753 50 0 DHAALO Clc1ccccc1-c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000065239608 184316866 /nfs/dbraw/zinc/31/68/66/184316866.db2.gz QSJQZQRQSOZCGV-UHFFFAOYSA-N 1 2 323.743 3.638 50 0 DHAALO COc1cccc(NC(=O)c2cc3c(s2)C[N@@H+](C(C)C)C3)c1 ZINC000065238714 184317096 /nfs/dbraw/zinc/31/70/96/184317096.db2.gz IMJOBMGFFPZVCM-UHFFFAOYSA-N 1 2 316.426 3.733 50 0 DHAALO COc1cccc(NC(=O)c2cc3c(s2)C[N@H+](C(C)C)C3)c1 ZINC000065238714 184317097 /nfs/dbraw/zinc/31/70/97/184317097.db2.gz IMJOBMGFFPZVCM-UHFFFAOYSA-N 1 2 316.426 3.733 50 0 DHAALO Cc1nc([C@@H](C)[N@H+](C)Cc2cccc3c2OCO3)c(C)s1 ZINC000065376029 184331216 /nfs/dbraw/zinc/33/12/16/184331216.db2.gz RQZXMSWCXFLGQL-SNVBAGLBSA-N 1 2 304.415 3.682 50 0 DHAALO Cc1nc([C@@H](C)[N@@H+](C)Cc2cccc3c2OCO3)c(C)s1 ZINC000065376029 184331217 /nfs/dbraw/zinc/33/12/17/184331217.db2.gz RQZXMSWCXFLGQL-SNVBAGLBSA-N 1 2 304.415 3.682 50 0 DHAALO CC(C)=CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1CC(N)=O ZINC000065455320 184347424 /nfs/dbraw/zinc/34/74/24/184347424.db2.gz QPALOZDRCLKJCB-OAHLLOKOSA-N 1 2 311.429 3.885 50 0 DHAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cccc1F ZINC000065729515 184378024 /nfs/dbraw/zinc/37/80/24/184378024.db2.gz VLUUNKBZTUQECV-UHFFFAOYSA-N 1 2 317.270 3.542 50 0 DHAALO CSCCCNC(=O)c1ccc(-c2ccc(C)[nH+]c2C)cc1 ZINC000426387210 257252554 /nfs/dbraw/zinc/25/25/54/257252554.db2.gz DLICFJUNFFXNDO-UHFFFAOYSA-N 1 2 314.454 3.848 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCOC(=O)/C=C/c1ccccc1 ZINC000056220562 331781576 /nfs/dbraw/zinc/78/15/76/331781576.db2.gz OPTKVSVSAHQXMZ-VAWYXSNFSA-N 1 2 306.365 3.601 50 0 DHAALO C[C@@H]1c2cc(F)ccc2CC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000096406955 337381761 /nfs/dbraw/zinc/38/17/61/337381761.db2.gz OGMJKTVKVINYIT-LLVKDONJSA-N 1 2 313.332 3.588 50 0 DHAALO C[C@@H]1c2cc(F)ccc2CC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000096406955 337381762 /nfs/dbraw/zinc/38/17/62/337381762.db2.gz OGMJKTVKVINYIT-LLVKDONJSA-N 1 2 313.332 3.588 50 0 DHAALO Cc1cc(C)c(NC(=O)CNc2cc[nH+]c(C(C)C)n2)c(C)c1 ZINC000106464021 524288135 /nfs/dbraw/zinc/28/81/35/524288135.db2.gz UKJVURNFHYCQLV-UHFFFAOYSA-N 1 2 312.417 3.576 50 0 DHAALO Cc1ccc(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1C ZINC000000140881 563223388 /nfs/dbraw/zinc/22/33/88/563223388.db2.gz ARWLYLDIQHFWME-UHFFFAOYSA-N 1 2 307.397 3.909 50 0 DHAALO O=C(NCCCn1cc[nH+]c1)c1sc2ccccc2c1Cl ZINC000001802775 563296374 /nfs/dbraw/zinc/29/63/74/563296374.db2.gz NSZMAPXYHRDBAA-UHFFFAOYSA-N 1 2 319.817 3.571 50 0 DHAALO Cn1ccnc1SCc1[nH+]ccn1Cc1ccc(Cl)cc1 ZINC000003127049 563322591 /nfs/dbraw/zinc/32/25/91/563322591.db2.gz TVOUKZRXMHAVLD-UHFFFAOYSA-N 1 2 318.833 3.611 50 0 DHAALO CC[C@@H](C)C(=O)N1CCC(n2c(C)[nH+]c3ccc(C)cc32)CC1 ZINC000034915434 563325323 /nfs/dbraw/zinc/32/53/23/563325323.db2.gz 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/nfs/dbraw/zinc/49/99/06/563499906.db2.gz CTCNUKRJRAESEI-MRXNPFEDSA-N 1 2 321.409 3.949 50 0 DHAALO Cc1ccc(-n2ccnc2-c2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC000077339669 563509299 /nfs/dbraw/zinc/50/92/99/563509299.db2.gz CADXAHRYIIREJW-UHFFFAOYSA-N 1 2 316.364 3.739 50 0 DHAALO CCc1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)no2)on1 ZINC000077454659 563510775 /nfs/dbraw/zinc/51/07/75/563510775.db2.gz OLJCLVZNELFYTK-INIZCTEOSA-N 1 2 324.384 3.624 50 0 DHAALO CCc1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3)no2)on1 ZINC000077454659 563510776 /nfs/dbraw/zinc/51/07/76/563510776.db2.gz OLJCLVZNELFYTK-INIZCTEOSA-N 1 2 324.384 3.624 50 0 DHAALO Cc1[nH]c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1C ZINC000077487555 563511054 /nfs/dbraw/zinc/51/10/54/563511054.db2.gz MPBRMZRZMNMTDU-HNNXBMFYSA-N 1 2 322.412 3.528 50 0 DHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000095379726 563529831 /nfs/dbraw/zinc/52/98/31/563529831.db2.gz IMKXKEFCRBCWKW-LBPRGKRZSA-N 1 2 317.355 3.513 50 0 DHAALO CCn1nc(-c2csc(C)n2)nc1-c1ccc2[nH]c(C)[nH+]c2c1 ZINC000096133127 563532994 /nfs/dbraw/zinc/53/29/94/563532994.db2.gz ZQDZXLGLOLMUAN-UHFFFAOYSA-N 1 2 324.413 3.582 50 0 DHAALO CCn1nc(-c2csc(C)n2)nc1-c1ccc2[nH+]c(C)[nH]c2c1 ZINC000096133127 563532997 /nfs/dbraw/zinc/53/29/97/563532997.db2.gz ZQDZXLGLOLMUAN-UHFFFAOYSA-N 1 2 324.413 3.582 50 0 DHAALO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(C)[nH]2)cc1 ZINC000097823415 563542452 /nfs/dbraw/zinc/54/24/52/563542452.db2.gz TZIRTAOIKNUWLT-QGZVFWFLSA-N 1 2 314.433 3.629 50 0 DHAALO CCCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nnc(C)[nH]2)cc1 ZINC000097823415 563542456 /nfs/dbraw/zinc/54/24/56/563542456.db2.gz TZIRTAOIKNUWLT-QGZVFWFLSA-N 1 2 314.433 3.629 50 0 DHAALO CC(=O)Nc1cc2ccccc2cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000011683240 563574031 /nfs/dbraw/zinc/57/40/31/563574031.db2.gz PSMQJDCTYGYQLZ-UHFFFAOYSA-N 1 2 319.364 3.754 50 0 DHAALO c1sc(C2CC2)nc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000135803494 563609402 /nfs/dbraw/zinc/60/94/02/563609402.db2.gz KTAMWYDTMQEKFP-UHFFFAOYSA-N 1 2 306.475 3.946 50 0 DHAALO c1sc(C2CC2)nc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000135803494 563609405 /nfs/dbraw/zinc/60/94/05/563609405.db2.gz KTAMWYDTMQEKFP-UHFFFAOYSA-N 1 2 306.475 3.946 50 0 DHAALO Cn1c2ccccc2n(CCCOc2ccc(Cl)cc2)c1=[NH2+] ZINC000585655846 563609696 /nfs/dbraw/zinc/60/96/96/563609696.db2.gz OADGLMPWROXUCM-UHFFFAOYSA-N 1 2 315.804 3.582 50 0 DHAALO COc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000000425611 563613228 /nfs/dbraw/zinc/61/32/28/563613228.db2.gz OHDWKUYULFOHDK-UHFFFAOYSA-N 1 2 323.400 3.569 50 0 DHAALO Cc1nc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cs1 ZINC000189853230 563644624 /nfs/dbraw/zinc/64/46/24/563644624.db2.gz MTJGXRUAVFOSME-MRXNPFEDSA-N 1 2 315.442 3.536 50 0 DHAALO Cc1nc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2)cs1 ZINC000189853230 563644629 /nfs/dbraw/zinc/64/46/29/563644629.db2.gz MTJGXRUAVFOSME-MRXNPFEDSA-N 1 2 315.442 3.536 50 0 DHAALO CC[NH+](CC)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000011905848 563650915 /nfs/dbraw/zinc/65/09/15/563650915.db2.gz BAENMYDYPXTDFH-UHFFFAOYSA-N 1 2 308.385 3.513 50 0 DHAALO CCn1c2ccccc2[nH+]c1NCc1cc(OC)ccc1OC ZINC000000523770 563664505 /nfs/dbraw/zinc/66/45/05/563664505.db2.gz BDFDSTNVUXGFHJ-UHFFFAOYSA-N 1 2 311.385 3.686 50 0 DHAALO C[NH+](C)/C=C\c1oc2ccc(O)cc2c1C(=O)c1ccccc1 ZINC000149864662 563680369 /nfs/dbraw/zinc/68/03/69/563680369.db2.gz BCSHZJXLAPDKLG-KHPPLWFESA-N 1 2 307.349 3.902 50 0 DHAALO c1cc2c(s1)CC[N@@H+](Cc1csc(-c3ccccn3)n1)C2 ZINC000044895379 563686156 /nfs/dbraw/zinc/68/61/56/563686156.db2.gz ROXLCRGZVICGDK-UHFFFAOYSA-N 1 2 313.451 3.825 50 0 DHAALO c1cc2c(s1)CC[N@H+](Cc1csc(-c3ccccn3)n1)C2 ZINC000044895379 563686157 /nfs/dbraw/zinc/68/61/57/563686157.db2.gz ROXLCRGZVICGDK-UHFFFAOYSA-N 1 2 313.451 3.825 50 0 DHAALO CCc1nccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000215633099 563706510 /nfs/dbraw/zinc/70/65/10/563706510.db2.gz DQAVXZGENJPKFW-QGZVFWFLSA-N 1 2 321.428 3.643 50 0 DHAALO CCc1nccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000215633099 563706513 /nfs/dbraw/zinc/70/65/13/563706513.db2.gz DQAVXZGENJPKFW-QGZVFWFLSA-N 1 2 321.428 3.643 50 0 DHAALO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]1c1cccc(OC)c1 ZINC000216451312 563709935 /nfs/dbraw/zinc/70/99/35/563709935.db2.gz CQBXNULUQHYHRS-MRXNPFEDSA-N 1 2 319.836 3.592 50 0 DHAALO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H]1c1cccc(OC)c1 ZINC000216451312 563709938 /nfs/dbraw/zinc/70/99/38/563709938.db2.gz CQBXNULUQHYHRS-MRXNPFEDSA-N 1 2 319.836 3.592 50 0 DHAALO Cc1ncsc1CC[N@@H+](C)Cc1nc2ccc(C)c(C)c2[nH]1 ZINC000244899667 563779901 /nfs/dbraw/zinc/77/99/01/563779901.db2.gz ZNORNFCJGCSWCV-UHFFFAOYSA-N 1 2 314.458 3.619 50 0 DHAALO Cc1ncsc1CC[N@H+](C)Cc1nc2ccc(C)c(C)c2[nH]1 ZINC000244899667 563779902 /nfs/dbraw/zinc/77/99/02/563779902.db2.gz ZNORNFCJGCSWCV-UHFFFAOYSA-N 1 2 314.458 3.619 50 0 DHAALO Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000012525245 563797614 /nfs/dbraw/zinc/79/76/14/563797614.db2.gz ITHAUMBMSXXONL-MRXNPFEDSA-N 1 2 319.408 3.980 50 0 DHAALO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCc2ccccc21 ZINC000012520507 563797661 /nfs/dbraw/zinc/79/76/61/563797661.db2.gz ZJXBMZKPKVRROM-CQSZACIVSA-N 1 2 319.408 3.749 50 0 DHAALO CC(=O)c1c(F)cccc1N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012525603 563797744 /nfs/dbraw/zinc/79/77/44/563797744.db2.gz GJDGACIENSVHPG-SFHVURJKSA-N 1 2 323.371 3.963 50 0 DHAALO CCc1ccc(-c2nc(SCc3[nH+]ccn3CC)n[nH]2)cc1 ZINC000083825260 563812527 /nfs/dbraw/zinc/81/25/27/563812527.db2.gz FFAMRYDAMBIPRR-UHFFFAOYSA-N 1 2 313.430 3.543 50 0 DHAALO CC[C@H](C(=O)NCCn1c(C)[nH+]c2ccccc21)c1ccccc1 ZINC000012741798 563820146 /nfs/dbraw/zinc/82/01/46/563820146.db2.gz FNGILOUDKWIUPR-KRWDZBQOSA-N 1 2 321.424 3.655 50 0 DHAALO Cn1cnn(C[N@H+](C)C(c2ccccc2)c2ccccc2)c1=S ZINC000012815138 563837532 /nfs/dbraw/zinc/83/75/32/563837532.db2.gz YXUYSRXGTWVTKJ-UHFFFAOYSA-N 1 2 324.453 3.630 50 0 DHAALO Cn1cnn(C[N@@H+](C)C(c2ccccc2)c2ccccc2)c1=S ZINC000012815138 563837536 /nfs/dbraw/zinc/83/75/36/563837536.db2.gz YXUYSRXGTWVTKJ-UHFFFAOYSA-N 1 2 324.453 3.630 50 0 DHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000012915376 563853815 /nfs/dbraw/zinc/85/38/15/563853815.db2.gz HBTMUDONYBWYLD-JTQLQIEISA-N 1 2 322.380 3.584 50 0 DHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000012915376 563853818 /nfs/dbraw/zinc/85/38/18/563853818.db2.gz HBTMUDONYBWYLD-JTQLQIEISA-N 1 2 322.380 3.584 50 0 DHAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccccc3)n2)CC1 ZINC000012925904 563855041 /nfs/dbraw/zinc/85/50/41/563855041.db2.gz NGROHEXAYKREDJ-UHFFFAOYSA-N 1 2 315.442 3.627 50 0 DHAALO CCc1cc(N(C)[C@@H](C)c2ccccn2)nc(-c2ccncc2)[nH+]1 ZINC000075138121 563860854 /nfs/dbraw/zinc/86/08/54/563860854.db2.gz OCDLNCDHRATWCX-AWEZNQCLSA-N 1 2 319.412 3.693 50 0 DHAALO O=C(C[NH+]1CCC(c2cccs2)CC1)Nc1ccccc1F ZINC000075172430 563861265 /nfs/dbraw/zinc/86/12/65/563861265.db2.gz UMACIHOKCPIYJI-UHFFFAOYSA-N 1 2 318.417 3.705 50 0 DHAALO Cc1cc(C(=O)C[N@@H+]2CCc3ccccc3C2)c(C)n1C1CC1 ZINC000035414079 563867441 /nfs/dbraw/zinc/86/74/41/563867441.db2.gz ALMHCQSOWWRJJI-UHFFFAOYSA-N 1 2 308.425 3.681 50 0 DHAALO Cc1cc(C(=O)C[N@H+]2CCc3ccccc3C2)c(C)n1C1CC1 ZINC000035414079 563867444 /nfs/dbraw/zinc/86/74/44/563867444.db2.gz ALMHCQSOWWRJJI-UHFFFAOYSA-N 1 2 308.425 3.681 50 0 DHAALO COc1cc(C)[nH+]c2ccc(NC(=O)Cc3ccccc3)cc21 ZINC000035536950 563872478 /nfs/dbraw/zinc/87/24/78/563872478.db2.gz VTWPFNRIXCHVLM-UHFFFAOYSA-N 1 2 306.365 3.733 50 0 DHAALO CS[C@H](C)C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000053547388 563879133 /nfs/dbraw/zinc/87/91/33/563879133.db2.gz LZSGBQMBZVGJMT-GFCCVEGCSA-N 1 2 315.442 3.576 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000007200554 563904354 /nfs/dbraw/zinc/90/43/54/563904354.db2.gz ZRDNPSDUUPCZLR-DOTOQJQBSA-N 1 2 311.429 3.526 50 0 DHAALO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000170607203 563907828 /nfs/dbraw/zinc/90/78/28/563907828.db2.gz QFTINGOVVRYVEE-KDOFPFPSSA-N 1 2 301.430 3.551 50 0 DHAALO CC(C)c1ccc([C@@H](C)[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000170607203 563907831 /nfs/dbraw/zinc/90/78/31/563907831.db2.gz QFTINGOVVRYVEE-KDOFPFPSSA-N 1 2 301.430 3.551 50 0 DHAALO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000071854417 563909543 /nfs/dbraw/zinc/90/95/43/563909543.db2.gz CFXHAUVAKBLVCL-NSHDSACASA-N 1 2 317.260 3.855 50 0 DHAALO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000071854417 563909544 /nfs/dbraw/zinc/90/95/44/563909544.db2.gz CFXHAUVAKBLVCL-NSHDSACASA-N 1 2 317.260 3.855 50 0 DHAALO CC(C)[C@@H]1C[N@H+](Cc2ccccc2)[C@@H]2c3ccccc3C(=O)N12 ZINC000252599461 563917344 /nfs/dbraw/zinc/91/73/44/563917344.db2.gz DJNISVWULMFWDD-OALUTQOASA-N 1 2 306.409 3.681 50 0 DHAALO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H]2c3ccccc3C(=O)N12 ZINC000252599461 563917345 /nfs/dbraw/zinc/91/73/45/563917345.db2.gz DJNISVWULMFWDD-OALUTQOASA-N 1 2 306.409 3.681 50 0 DHAALO Cc1ccccc1C[N@@H+]1CCN(c2ccccc2C)C(=O)[C@@H]1C ZINC000037520195 563918188 /nfs/dbraw/zinc/91/81/88/563918188.db2.gz LOZGIWXDXJOGME-KRWDZBQOSA-N 1 2 308.425 3.541 50 0 DHAALO Cc1ccccc1C[N@H+]1CCN(c2ccccc2C)C(=O)[C@@H]1C ZINC000037520195 563918189 /nfs/dbraw/zinc/91/81/89/563918189.db2.gz LOZGIWXDXJOGME-KRWDZBQOSA-N 1 2 308.425 3.541 50 0 DHAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2F)c(C)c1 ZINC000007911307 563920682 /nfs/dbraw/zinc/92/06/82/563920682.db2.gz LOIAGJHFJXIJMZ-UHFFFAOYSA-N 1 2 314.404 3.821 50 0 DHAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2F)c(C)c1 ZINC000007911307 563920683 /nfs/dbraw/zinc/92/06/83/563920683.db2.gz LOIAGJHFJXIJMZ-UHFFFAOYSA-N 1 2 314.404 3.821 50 0 DHAALO C[C@]1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC1(Cl)Cl ZINC000078797141 563929929 /nfs/dbraw/zinc/92/99/29/563929929.db2.gz KOIKBZDEVHJNMO-CYBMUJFWSA-N 1 2 310.184 3.599 50 0 DHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(Cl)s1 ZINC000095951879 563932104 /nfs/dbraw/zinc/93/21/04/563932104.db2.gz UGEDMKHJENWVRB-DRZSPHRISA-N 1 2 313.850 3.708 50 0 DHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)s1 ZINC000095951879 563932106 /nfs/dbraw/zinc/93/21/06/563932106.db2.gz UGEDMKHJENWVRB-DRZSPHRISA-N 1 2 313.850 3.708 50 0 DHAALO C[C@H](c1ccc(F)cc1F)N1CCc2c([nH+]cn2C2CC2)C1 ZINC000095950597 563932205 /nfs/dbraw/zinc/93/22/05/563932205.db2.gz KPDKMMYXYLFOBO-LLVKDONJSA-N 1 2 303.356 3.616 50 0 DHAALO Cc1nnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000096493204 563937513 /nfs/dbraw/zinc/93/75/13/563937513.db2.gz OQMVPTATLXXRSO-CQSZACIVSA-N 1 2 311.307 3.638 50 0 DHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000058140468 563943747 /nfs/dbraw/zinc/94/37/47/563943747.db2.gz BBQRVNLGANCMLJ-MRXNPFEDSA-N 1 2 318.323 3.680 50 0 DHAALO CC(C)(C)c1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)[nH]n1 ZINC000670468159 563946894 /nfs/dbraw/zinc/94/68/94/563946894.db2.gz SNHLTRMKKYMFBB-UHFFFAOYSA-N 1 2 303.837 3.919 50 0 DHAALO CC(C)(C)c1cc(C[N@H+]2CCc3c(Cl)cccc3C2)[nH]n1 ZINC000670468159 563946895 /nfs/dbraw/zinc/94/68/95/563946895.db2.gz SNHLTRMKKYMFBB-UHFFFAOYSA-N 1 2 303.837 3.919 50 0 DHAALO Cc1cccn2cc(CSc3nnc(NC(C)C)s3)[nH+]c12 ZINC000008216123 563947233 /nfs/dbraw/zinc/94/72/33/563947233.db2.gz WPFZUAFNBOVWAO-UHFFFAOYSA-N 1 2 319.459 3.607 50 0 DHAALO Cc1ncsc1C[N@H+](C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000670471047 563948462 /nfs/dbraw/zinc/94/84/62/563948462.db2.gz UCJQJWKFMLZCCM-UHFFFAOYSA-N 1 2 306.822 3.613 50 0 DHAALO Cc1ncsc1C[N@@H+](C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000670471047 563948463 /nfs/dbraw/zinc/94/84/63/563948463.db2.gz UCJQJWKFMLZCCM-UHFFFAOYSA-N 1 2 306.822 3.613 50 0 DHAALO CCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000008467355 563948833 /nfs/dbraw/zinc/94/88/33/563948833.db2.gz ZMHRVFHDWOPTKT-UHFFFAOYSA-N 1 2 305.337 3.705 50 0 DHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000008878536 563951053 /nfs/dbraw/zinc/95/10/53/563951053.db2.gz AFNQCLQGRURLDE-UHFFFAOYSA-N 1 2 311.364 3.699 50 0 DHAALO C[NH+](C)/C=C/c1oc2ccc(O)cc2c1C(=O)c1ccccc1 ZINC000068705087 563951159 /nfs/dbraw/zinc/95/11/59/563951159.db2.gz BCSHZJXLAPDKLG-ZHACJKMWSA-N 1 2 307.349 3.902 50 0 DHAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000009458880 563956113 /nfs/dbraw/zinc/95/61/13/563956113.db2.gz XGRPHKRYFPUIGU-UHFFFAOYSA-N 1 2 300.377 3.513 50 0 DHAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000009458880 563956115 /nfs/dbraw/zinc/95/61/15/563956115.db2.gz XGRPHKRYFPUIGU-UHFFFAOYSA-N 1 2 300.377 3.513 50 0 DHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000009515338 563956466 /nfs/dbraw/zinc/95/64/66/563956466.db2.gz ABHRKBZFYHOSTM-JTQLQIEISA-N 1 2 301.217 3.806 50 0 DHAALO Cc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c[nH+]c1N ZINC000534590819 563960549 /nfs/dbraw/zinc/96/05/49/563960549.db2.gz VPSJPGUCWDIPBY-UHFFFAOYSA-N 1 2 311.429 3.898 50 0 DHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000077445026 563960666 /nfs/dbraw/zinc/96/06/66/563960666.db2.gz KLAUQSMGVWPVDI-YOEHRIQHSA-N 1 2 324.428 3.884 50 0 DHAALO C[C@@H](Sc1cc(-n2cc[nH+]c2)ncn1)c1ccccc1F ZINC000077214127 563960766 /nfs/dbraw/zinc/96/07/66/563960766.db2.gz CEZTWSXBPJOCHU-LLVKDONJSA-N 1 2 300.362 3.655 50 0 DHAALO CN1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC000012603004 1019057830 /nfs/dbraw/zinc/05/78/30/1019057830.db2.gz HHCFFCKMIKXNQH-GDNBJRDFSA-N 1 2 319.339 3.528 50 0 DHAALO COc1ccc(CCn2c[nH+]c(-c3ccccc3)c2C)cc1O ZINC000065384883 1021563696 /nfs/dbraw/zinc/56/36/96/1021563696.db2.gz YPNSFHKRPGVZNJ-UHFFFAOYSA-N 1 2 308.381 3.815 50 0 DHAALO CC(C)C[C@@H](c1nc(-c2ccc3c(c2)CCO3)no1)n1cc[nH+]c1 ZINC000874435478 1021578700 /nfs/dbraw/zinc/57/87/00/1021578700.db2.gz UYZDMHZADREYQK-HNNXBMFYSA-N 1 2 324.384 3.504 50 0 DHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)C3CCCCC3)C2)n1C(C)C ZINC000581816568 1021852873 /nfs/dbraw/zinc/85/28/73/1021852873.db2.gz ZQTPNOSWSWYPSH-MRXNPFEDSA-N 1 2 303.450 3.669 50 0 DHAALO COc1cc2c(c(C[NH2+]C(C)(C)c3nccs3)c1)O[C@@H](C)C2 ZINC000116381100 1024569830 /nfs/dbraw/zinc/56/98/30/1024569830.db2.gz QMKSAKNCAKBCET-NSHDSACASA-N 1 2 318.442 3.500 50 0 DHAALO Cc1cccn2cc(C[S@](=O)C/C=C\c3ccccc3)[nH+]c12 ZINC000221840372 1026101881 /nfs/dbraw/zinc/10/18/81/1026101881.db2.gz FYNFUAUUVIODCR-RWKBYAJOSA-N 1 2 310.422 3.605 50 0 DHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000095519644 185377019 /nfs/dbraw/zinc/37/70/19/185377019.db2.gz IKSVIFIBTYKSOI-MRXNPFEDSA-N 1 2 303.450 3.750 50 0 DHAALO CCCN(CC(F)F)C(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000079309519 185164210 /nfs/dbraw/zinc/16/42/10/185164210.db2.gz DAPIZUGGFQUNHW-UHFFFAOYSA-N 1 2 320.339 3.991 50 0 DHAALO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000090227310 185287710 /nfs/dbraw/zinc/28/77/10/185287710.db2.gz YLAKEFZLIBJFOP-XDTLVQLUSA-N 1 2 320.487 3.698 50 0 DHAALO Oc1ccc(-c2[nH+]ccn2C[C@H](O)c2ccccc2)cc1Cl ZINC000082096794 192355265 /nfs/dbraw/zinc/35/52/65/192355265.db2.gz QCSXBPDVQUVYAV-INIZCTEOSA-N 1 2 314.772 3.643 50 0 DHAALO Cc1cccc(C[NH+](Cc2cccnc2)Cc2cccc(C)n2)n1 ZINC000095432255 185363455 /nfs/dbraw/zinc/36/34/55/185363455.db2.gz RFFKVHYKCOUZDB-UHFFFAOYSA-N 1 2 318.424 3.691 50 0 DHAALO Cc1nnc(-c2ccc(C(=O)Nc3c(C)cc(C)[nH+]c3C)cc2)o1 ZINC000097014479 185397315 /nfs/dbraw/zinc/39/73/15/185397315.db2.gz ZVFIXIARDBDJEF-UHFFFAOYSA-N 1 2 322.368 3.618 50 0 DHAALO COc1cc(O)ccc1-c1[nH+]ccn1CC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000071746340 191019104 /nfs/dbraw/zinc/01/91/04/191019104.db2.gz DCSJEGXCAPSZLW-QLFBSQMISA-N 1 2 310.397 3.867 50 0 DHAALO Clc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccn1)OCO2 ZINC000072148433 191054379 /nfs/dbraw/zinc/05/43/79/191054379.db2.gz HUIUDFZNFLODAX-HNNXBMFYSA-N 1 2 316.788 3.801 50 0 DHAALO Clc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccn1)OCO2 ZINC000072148433 191054382 /nfs/dbraw/zinc/05/43/82/191054382.db2.gz HUIUDFZNFLODAX-HNNXBMFYSA-N 1 2 316.788 3.801 50 0 DHAALO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2nc(C)sc2C)cs1 ZINC000072158368 191060520 /nfs/dbraw/zinc/06/05/20/191060520.db2.gz BPQKDDNUHXRZBU-VIFPVBQESA-N 1 2 324.471 3.801 50 0 DHAALO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2nc(C)sc2C)cs1 ZINC000072158368 191060523 /nfs/dbraw/zinc/06/05/23/191060523.db2.gz BPQKDDNUHXRZBU-VIFPVBQESA-N 1 2 324.471 3.801 50 0 DHAALO CCn1c2ccccc2[nH+]c1CCNc1ccc2cc[nH]c2n1 ZINC000072462778 191173431 /nfs/dbraw/zinc/17/34/31/191173431.db2.gz MZZFESCJINRYBH-UHFFFAOYSA-N 1 2 305.385 3.587 50 0 DHAALO CCN(CC)c1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C ZINC000004354798 181102019 /nfs/dbraw/zinc/10/20/19/181102019.db2.gz HIHODKVOJUEGEK-UHFFFAOYSA-N 1 2 315.808 3.624 50 0 DHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COCc1ccccc1 ZINC000004535519 181121102 /nfs/dbraw/zinc/12/11/02/181121102.db2.gz MUINDDGMPRTNRA-KRWDZBQOSA-N 1 2 324.424 3.567 50 0 DHAALO CCCc1[nH+]cc([C@](O)(c2ccccc2)c2ccc(C)cc2)n1C ZINC000004494532 181114976 /nfs/dbraw/zinc/11/49/76/181114976.db2.gz HJNXALNUPFFVRE-NRFANRHFSA-N 1 2 320.436 3.965 50 0 DHAALO CCC[C@@H](CC(=O)NCc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000005267235 181224220 /nfs/dbraw/zinc/22/42/20/181224220.db2.gz SZHSEZODDYOTKP-HNNXBMFYSA-N 1 2 305.809 3.584 50 0 DHAALO Cc1ccc(-c2nc(SCc3cn4ccccc4[nH+]3)n[nH]2)cc1 ZINC000005866664 181291040 /nfs/dbraw/zinc/29/10/40/181291040.db2.gz KXSFSAFHWFTXSP-UHFFFAOYSA-N 1 2 321.409 3.720 50 0 DHAALO CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000006935697 181407744 /nfs/dbraw/zinc/40/77/44/181407744.db2.gz UYGDJVDSLOZSTR-IAGOWNOFSA-N 1 2 323.477 3.629 50 0 DHAALO C=Cc1cccc(-c2cn(CCc3[nH]c4ccccc4[nH+]3)nn2)c1 ZINC000091807896 193110795 /nfs/dbraw/zinc/11/07/95/193110795.db2.gz VFHCFTRVFUIHQL-UHFFFAOYSA-N 1 2 315.380 3.707 50 0 DHAALO C[C@H](c1cccnc1)[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000093235734 193220053 /nfs/dbraw/zinc/22/00/53/193220053.db2.gz WKKVUDKQSHJTMP-CYBMUJFWSA-N 1 2 310.426 3.793 50 0 DHAALO C[C@H](c1cccnc1)[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000093235734 193220054 /nfs/dbraw/zinc/22/00/54/193220054.db2.gz WKKVUDKQSHJTMP-CYBMUJFWSA-N 1 2 310.426 3.793 50 0 DHAALO CCCCN(C)c1[nH+]cnc2c1cnn2-c1cc(C)ccc1C ZINC000009627548 181632756 /nfs/dbraw/zinc/63/27/56/181632756.db2.gz AIBUEHIMTKNYBZ-UHFFFAOYSA-N 1 2 309.417 3.669 50 0 DHAALO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000015593730 182008616 /nfs/dbraw/zinc/00/86/16/182008616.db2.gz QMWUXQMRHTYTKJ-SNVBAGLBSA-N 1 2 321.211 3.887 50 0 DHAALO CC[NH+]1CCN(C(=O)c2cc(C)c(-c3ccccc3)s2)CC1 ZINC000016603310 182052312 /nfs/dbraw/zinc/05/23/12/182052312.db2.gz IRGYJRMDBPARDR-UHFFFAOYSA-N 1 2 314.454 3.501 50 0 DHAALO CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017268790 182081192 /nfs/dbraw/zinc/08/11/92/182081192.db2.gz OHCRWPOCZOYTED-SNVBAGLBSA-N 1 2 301.781 3.679 50 0 DHAALO Fc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019831459 182155001 /nfs/dbraw/zinc/15/50/01/182155001.db2.gz RNMWLYVAYJCADO-QPJJXVBHSA-N 1 2 310.416 3.657 50 0 DHAALO Cn1c2ccccc2n(CCOc2ccc3ccccc3c2)c1=[NH2+] ZINC000019996034 182175637 /nfs/dbraw/zinc/17/56/37/182175637.db2.gz JKHFSBMIXIIYRU-UHFFFAOYSA-N 1 2 317.392 3.691 50 0 DHAALO Cc1cccc(-c2nc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cs2)c1 ZINC000020417574 182215808 /nfs/dbraw/zinc/21/58/08/182215808.db2.gz QXFXTTXEZXRDNW-ZIAGYGMSSA-N 1 2 302.443 3.728 50 0 DHAALO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)ccc1O ZINC000021720692 182286020 /nfs/dbraw/zinc/28/60/20/182286020.db2.gz YQTSURVYOLKYKE-OAHLLOKOSA-N 1 2 316.401 3.849 50 0 DHAALO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)ccc1O ZINC000021720692 182286022 /nfs/dbraw/zinc/28/60/22/182286022.db2.gz YQTSURVYOLKYKE-OAHLLOKOSA-N 1 2 316.401 3.849 50 0 DHAALO Cc1cc(C(=O)C[N@@H+]2CCc3sccc3C2)c(C)n1C1CC1 ZINC000022277726 182316281 /nfs/dbraw/zinc/31/62/81/182316281.db2.gz TXEHXTYKVAKEEM-UHFFFAOYSA-N 1 2 314.454 3.742 50 0 DHAALO Cc1cc(C(=O)C[N@H+]2CCc3sccc3C2)c(C)n1C1CC1 ZINC000022277726 182316283 /nfs/dbraw/zinc/31/62/83/182316283.db2.gz TXEHXTYKVAKEEM-UHFFFAOYSA-N 1 2 314.454 3.742 50 0 DHAALO Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cn1 ZINC000022415282 182320602 /nfs/dbraw/zinc/32/06/02/182320602.db2.gz HJAUSUMWMMHPCR-UHFFFAOYSA-N 1 2 320.396 3.718 50 0 DHAALO Cc1ccc(Nc2nn(C[NH+]3CCCC3)c(=S)s2)cc1 ZINC000023624762 182364749 /nfs/dbraw/zinc/36/47/49/182364749.db2.gz JWMJFIVBIRYDQD-UHFFFAOYSA-N 1 2 306.460 3.779 50 0 DHAALO FC(F)(F)[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000040465817 183072908 /nfs/dbraw/zinc/07/29/08/183072908.db2.gz ZZVAQRYGVNHJPD-JTQLQIEISA-N 1 2 317.336 3.572 50 0 DHAALO FC(F)(F)[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000040465817 183072912 /nfs/dbraw/zinc/07/29/12/183072912.db2.gz ZZVAQRYGVNHJPD-JTQLQIEISA-N 1 2 317.336 3.572 50 0 DHAALO Cc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(C)o2)o1 ZINC000056696653 184017908 /nfs/dbraw/zinc/01/79/08/184017908.db2.gz OGQBXJBCVQMYPY-LBPRGKRZSA-N 1 2 312.373 3.534 50 0 DHAALO Cc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccncn3)c(C)o2)o1 ZINC000056696653 184017911 /nfs/dbraw/zinc/01/79/11/184017911.db2.gz OGQBXJBCVQMYPY-LBPRGKRZSA-N 1 2 312.373 3.534 50 0 DHAALO CC[N@H+](Cc1cccs1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000057446497 184038272 /nfs/dbraw/zinc/03/82/72/184038272.db2.gz VRKRHKMLJVZFRX-LBPRGKRZSA-N 1 2 313.426 3.568 50 0 DHAALO CC[N@@H+](Cc1cccs1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000057446497 184038274 /nfs/dbraw/zinc/03/82/74/184038274.db2.gz VRKRHKMLJVZFRX-LBPRGKRZSA-N 1 2 313.426 3.568 50 0 DHAALO Cc1cc(C)c(NC(=O)CSCc2cccs2)c(C)[nH+]1 ZINC000058171031 184084102 /nfs/dbraw/zinc/08/41/02/184084102.db2.gz BYFRICRSVJIGTG-UHFFFAOYSA-N 1 2 306.456 3.940 50 0 DHAALO c1ccc2oc(NCCNc3ccc4ccccc4[nH+]3)nc2c1 ZINC000058394168 184112635 /nfs/dbraw/zinc/11/26/35/184112635.db2.gz NDIQMHGENXJGEM-UHFFFAOYSA-N 1 2 304.353 3.900 50 0 DHAALO c1ccc2c(c1)ccc1c2[C@@H]2[NH2+][C@@H](c3cccnc3)OC[C@@H]2CO1 ZINC000063110706 184271084 /nfs/dbraw/zinc/27/10/84/184271084.db2.gz CVTVSDQCGJDMLX-CWFSZBLJSA-N 1 2 318.376 3.603 50 0 DHAALO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1coc(-c2cccs2)n1 ZINC000064411901 184296398 /nfs/dbraw/zinc/29/63/98/184296398.db2.gz KKHWUUMRBLXWEX-UHFFFAOYSA-N 1 2 316.430 3.714 50 0 DHAALO Cc1noc(C)c1Cn1c[nH+]c(-c2ccccc2)c1[C@H]1CCOC1 ZINC000065386233 184333492 /nfs/dbraw/zinc/33/34/92/184333492.db2.gz ZSXMLAGVVZXKAK-INIZCTEOSA-N 1 2 323.396 3.707 50 0 DHAALO Cc1ccsc1C(=O)N1CCc2[nH]c[nH+]c2C12CCCCC2 ZINC000065293147 184323932 /nfs/dbraw/zinc/32/39/32/184323932.db2.gz ZCVLILLVNBJNII-UHFFFAOYSA-N 1 2 315.442 3.638 50 0 biogenic DHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(SC)s2)cc1 ZINC000065474620 184351360 /nfs/dbraw/zinc/35/13/60/184351360.db2.gz OJDWVDRVGDSHFR-ZDUSSCGKSA-N 1 2 321.471 3.606 50 0 DHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(SC)s2)cc1 ZINC000065474620 184351361 /nfs/dbraw/zinc/35/13/61/184351361.db2.gz OJDWVDRVGDSHFR-ZDUSSCGKSA-N 1 2 321.471 3.606 50 0 DHAALO CC(=O)Nc1cccc(-c2ccccc2OCCn2cc[nH+]c2)c1 ZINC000065535625 184362705 /nfs/dbraw/zinc/36/27/05/184362705.db2.gz NGPOKLHSSBYXOU-UHFFFAOYSA-N 1 2 321.380 3.588 50 0 DHAALO COc1ccccc1[C@@H](C)[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000065499979 184355336 /nfs/dbraw/zinc/35/53/36/184355336.db2.gz XHKKXMBFJJCALY-GFCCVEGCSA-N 1 2 307.825 3.584 50 0 DHAALO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000065499979 184355338 /nfs/dbraw/zinc/35/53/38/184355338.db2.gz XHKKXMBFJJCALY-GFCCVEGCSA-N 1 2 307.825 3.584 50 0 DHAALO COc1ccccc1[C@H](C)[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000065499976 184355593 /nfs/dbraw/zinc/35/55/93/184355593.db2.gz XHKKXMBFJJCALY-LBPRGKRZSA-N 1 2 307.825 3.584 50 0 DHAALO COc1ccccc1[C@H](C)[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000065499976 184355595 /nfs/dbraw/zinc/35/55/95/184355595.db2.gz XHKKXMBFJJCALY-LBPRGKRZSA-N 1 2 307.825 3.584 50 0 DHAALO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)c2nc(C(C)C)no2)o1 ZINC000131125123 523024395 /nfs/dbraw/zinc/02/43/95/523024395.db2.gz LYYSSYPJWOYOES-GXTWGEPZSA-N 1 2 319.405 3.831 50 0 DHAALO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)c2nc(C(C)C)no2)o1 ZINC000131125123 523024399 /nfs/dbraw/zinc/02/43/99/523024399.db2.gz LYYSSYPJWOYOES-GXTWGEPZSA-N 1 2 319.405 3.831 50 0 DHAALO CSc1cccc(NC(=O)C[N@H+](C)Cc2ccsc2)c1 ZINC000012756195 563824776 /nfs/dbraw/zinc/82/47/76/563824776.db2.gz DOULAMSOHXCTHI-UHFFFAOYSA-N 1 2 306.456 3.541 50 0 DHAALO CSc1cccc(NC(=O)C[N@@H+](C)Cc2ccsc2)c1 ZINC000012756195 563824779 /nfs/dbraw/zinc/82/47/79/563824779.db2.gz DOULAMSOHXCTHI-UHFFFAOYSA-N 1 2 306.456 3.541 50 0 DHAALO CC(=O)c1c(C)n(-c2ccc([NH+](C)C)cc2)c2ccc(O)cc21 ZINC000000126492 563221105 /nfs/dbraw/zinc/22/11/05/563221105.db2.gz HWSYVNMDBAVEJG-UHFFFAOYSA-N 1 2 308.381 3.913 50 0 DHAALO CCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1OC ZINC000000530249 563264782 /nfs/dbraw/zinc/26/47/82/563264782.db2.gz UCMHUQUJUXGLNO-UHFFFAOYSA-N 1 2 311.385 3.686 50 0 DHAALO Fc1ccc(C[NH2+]Cc2noc(-c3ccccc3Cl)n2)cc1 ZINC000034904540 563324624 /nfs/dbraw/zinc/32/46/24/563324624.db2.gz GYDLLVRGKHJIGM-UHFFFAOYSA-N 1 2 317.751 3.819 50 0 DHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2sccc2C)c1C ZINC000035335138 563326201 /nfs/dbraw/zinc/32/62/01/563326201.db2.gz MXZXRZGXBNDZLO-UHFFFAOYSA-N 1 2 318.442 3.519 50 0 DHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2sccc2C)c1C ZINC000035335138 563326205 /nfs/dbraw/zinc/32/62/05/563326205.db2.gz MXZXRZGXBNDZLO-UHFFFAOYSA-N 1 2 318.442 3.519 50 0 DHAALO CCCc1noc(C[N@@H+]2CCCC[C@@H]2c2cccc(OC)c2)n1 ZINC000012058142 563360850 /nfs/dbraw/zinc/36/08/50/563360850.db2.gz PQBOVUBXGBQHAA-MRXNPFEDSA-N 1 2 315.417 3.758 50 0 DHAALO CCCc1noc(C[N@H+]2CCCC[C@@H]2c2cccc(OC)c2)n1 ZINC000012058142 563360851 /nfs/dbraw/zinc/36/08/51/563360851.db2.gz PQBOVUBXGBQHAA-MRXNPFEDSA-N 1 2 315.417 3.758 50 0 DHAALO CC[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1 ZINC000012585697 563371821 /nfs/dbraw/zinc/37/18/21/563371821.db2.gz VCLISDOMMVOZKG-UHFFFAOYSA-N 1 2 321.424 3.877 50 0 DHAALO CC[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1 ZINC000012585697 563371824 /nfs/dbraw/zinc/37/18/24/563371824.db2.gz VCLISDOMMVOZKG-UHFFFAOYSA-N 1 2 321.424 3.877 50 0 DHAALO Cc1cc(N(C)CCOc2ccccc2F)nc(C(C)C)[nH+]1 ZINC000032806484 563395485 /nfs/dbraw/zinc/39/54/85/563395485.db2.gz HDSDVBDHJUEADJ-UHFFFAOYSA-N 1 2 303.381 3.563 50 0 DHAALO Cc1nn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1C1CC1 ZINC000014139793 563396146 /nfs/dbraw/zinc/39/61/46/563396146.db2.gz YZSDWUXMGVPHGF-MRXNPFEDSA-N 1 2 314.458 3.852 50 0 DHAALO Cc1nn(C[N@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1C1CC1 ZINC000014139793 563396149 /nfs/dbraw/zinc/39/61/49/563396149.db2.gz YZSDWUXMGVPHGF-MRXNPFEDSA-N 1 2 314.458 3.852 50 0 DHAALO Cc1c[nH]c(C[N@@H+](C)Cc2cc(C)nc3c(C)cc(C)cc23)n1 ZINC000020542460 563417390 /nfs/dbraw/zinc/41/73/90/563417390.db2.gz BURQSJJRDVGFAF-UHFFFAOYSA-N 1 2 308.429 3.824 50 0 DHAALO Cc1c[nH]c(C[N@H+](C)Cc2cc(C)nc3c(C)cc(C)cc23)n1 ZINC000020542460 563417393 /nfs/dbraw/zinc/41/73/93/563417393.db2.gz BURQSJJRDVGFAF-UHFFFAOYSA-N 1 2 308.429 3.824 50 0 DHAALO Cc1[nH]c2ccc(NC(=O)COc3cccc(C)c3C)cc2[nH+]1 ZINC000010895635 563419670 /nfs/dbraw/zinc/41/96/70/563419670.db2.gz PCGGADINRVFYAL-UHFFFAOYSA-N 1 2 309.369 3.506 50 0 DHAALO Cn1ncc2c1nc[nH+]c2NC1CCC(c2ccccc2)CC1 ZINC000025499110 563423840 /nfs/dbraw/zinc/42/38/40/563423840.db2.gz AHIOGZDNJHFHAK-UHFFFAOYSA-N 1 2 307.401 3.502 50 0 DHAALO Cc1noc(C)c1C[N@@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000027031491 563427344 /nfs/dbraw/zinc/42/73/44/563427344.db2.gz AQLWBVZIMLGFHU-UHFFFAOYSA-N 1 2 324.428 3.726 50 0 DHAALO Cc1noc(C)c1C[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000027031491 563427345 /nfs/dbraw/zinc/42/73/45/563427345.db2.gz AQLWBVZIMLGFHU-UHFFFAOYSA-N 1 2 324.428 3.726 50 0 DHAALO Cc1cc2[nH+]cn(CC(=O)N(CC(C)C)CC(C)C)c2cc1C ZINC000027792527 563430202 /nfs/dbraw/zinc/43/02/02/563430202.db2.gz SIWPMSHVVCLDLR-UHFFFAOYSA-N 1 2 315.461 3.794 50 0 DHAALO S=c1sc(NC2CCCCC2)nn1C[NH+]1CCCCC1 ZINC000028705081 563432471 /nfs/dbraw/zinc/43/24/71/563432471.db2.gz VVBSPBBPDIKOEE-UHFFFAOYSA-N 1 2 312.508 3.862 50 0 DHAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)C2CC2)cc1 ZINC000032960811 563446412 /nfs/dbraw/zinc/44/64/12/563446412.db2.gz GBBVZPRDSZTHGW-UHFFFAOYSA-N 1 2 319.408 3.707 50 0 DHAALO CC(C)C(=O)Nc1cccc(CCc2[nH+]c3ccccc3n2C)c1 ZINC000033019680 563464401 /nfs/dbraw/zinc/46/44/01/563464401.db2.gz WMEOWBCKFXEQRI-UHFFFAOYSA-N 1 2 321.424 3.953 50 0 DHAALO Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000055291878 563473971 /nfs/dbraw/zinc/47/39/71/563473971.db2.gz CDOJPKCCMUORJC-UHFFFAOYSA-N 1 2 302.368 3.595 50 0 DHAALO COc1c(F)cc(-c2[nH+]ccn2Cc2ccncc2)cc1Cl ZINC000067675787 563488828 /nfs/dbraw/zinc/48/88/28/563488828.db2.gz KPRGVTOFJAVYPF-UHFFFAOYSA-N 1 2 317.751 3.795 50 0 DHAALO Cc1[nH]c(CN(C)Cc2csc(-c3cccs3)n2)c[nH+]1 ZINC000067769611 563490512 /nfs/dbraw/zinc/49/05/12/563490512.db2.gz MLYHZOUOLGHTQA-UHFFFAOYSA-N 1 2 304.444 3.535 50 0 DHAALO Cc1[nH]cc(CN(C)Cc2csc(-c3cccs3)n2)[nH+]1 ZINC000067769611 563490515 /nfs/dbraw/zinc/49/05/15/563490515.db2.gz MLYHZOUOLGHTQA-UHFFFAOYSA-N 1 2 304.444 3.535 50 0 DHAALO Cc1nc(Cn2cc[nH+]c2-c2ccc(O)c(Cl)c2)cs1 ZINC000071388832 563499241 /nfs/dbraw/zinc/49/92/41/563499241.db2.gz CDXHCEKEORONMC-UHFFFAOYSA-N 1 2 305.790 3.722 50 0 DHAALO CCc1c[nH+]c(C)nc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071422280 563499455 /nfs/dbraw/zinc/49/94/55/563499455.db2.gz MNTLDVWBISBXHN-MRXNPFEDSA-N 1 2 317.820 3.579 50 0 DHAALO CCc1c[nH+]c(C)nc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071422279 563499865 /nfs/dbraw/zinc/49/98/65/563499865.db2.gz MNTLDVWBISBXHN-INIZCTEOSA-N 1 2 317.820 3.579 50 0 DHAALO COc1ccccc1-c1nccn1CCc1[nH]c2ccccc2[nH+]1 ZINC000071614573 563500508 /nfs/dbraw/zinc/50/05/08/563500508.db2.gz DVGWALCQLNRVMM-UHFFFAOYSA-N 1 2 318.380 3.678 50 0 DHAALO O=C(c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1)C1CC1 ZINC000096164861 563534888 /nfs/dbraw/zinc/53/48/88/563534888.db2.gz LOJBMZGHUZUOKM-UHFFFAOYSA-N 1 2 321.420 3.779 50 0 DHAALO Fc1ccccc1OC1C[NH+](Cc2cccc3ncccc23)C1 ZINC000097532387 563540600 /nfs/dbraw/zinc/54/06/00/563540600.db2.gz DXWCVTCTXQMOBW-UHFFFAOYSA-N 1 2 308.356 3.637 50 0 DHAALO c1oc(-c2ccccc2)nc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000097785341 563542503 /nfs/dbraw/zinc/54/25/03/563542503.db2.gz LLBCYKLYHOQNDU-LJQANCHMSA-N 1 2 320.392 3.915 50 0 DHAALO c1oc(-c2ccccc2)nc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000097785341 563542508 /nfs/dbraw/zinc/54/25/08/563542508.db2.gz LLBCYKLYHOQNDU-LJQANCHMSA-N 1 2 320.392 3.915 50 0 DHAALO Cc1[nH+]c2cc(NC(=O)N3c4ccccc4C[C@@H]3C)ccc2n1C ZINC000000470907 563630807 /nfs/dbraw/zinc/63/08/07/563630807.db2.gz ODRIGTGKRVZVTD-LBPRGKRZSA-N 1 2 320.396 3.865 50 0 DHAALO 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CC[C@H](Cc1cccs1)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000097143565 563507063 /nfs/dbraw/zinc/50/70/63/563507063.db2.gz SIKGULZRAPRYIX-GDBMZVCRSA-N 1 2 303.427 3.573 50 0 DHAALO Cn1c[nH+]cc1CCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000097163815 563507828 /nfs/dbraw/zinc/50/78/28/563507828.db2.gz YZELKPIBJNUGSB-UHFFFAOYSA-N 1 2 320.396 3.511 50 0 DHAALO CCSc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000077536435 563511950 /nfs/dbraw/zinc/51/19/50/563511950.db2.gz XAEITHFSGQNJQC-NSHDSACASA-N 1 2 321.471 3.603 50 0 DHAALO CC[C@H](c1cccnc1)N(C)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097213201 563537764 /nfs/dbraw/zinc/53/77/64/563537764.db2.gz SODOTYBFTVXJCU-QGZVFWFLSA-N 1 2 320.396 3.695 50 0 DHAALO CC(C)c1nc(C[N@H+](C)Cc2ccccc2-n2cccn2)co1 ZINC000097657245 563540881 /nfs/dbraw/zinc/54/08/81/563540881.db2.gz MHSKHRMCCSAQOC-UHFFFAOYSA-N 1 2 310.401 3.616 50 0 DHAALO CC(C)c1nc(C[N@@H+](C)Cc2ccccc2-n2cccn2)co1 ZINC000097657245 563540883 /nfs/dbraw/zinc/54/08/83/563540883.db2.gz MHSKHRMCCSAQOC-UHFFFAOYSA-N 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CC(C)Cn1c(C[N@@H+](C)[C@H](C)c2ccncn2)nc2ccccc21 ZINC000216301583 563709112 /nfs/dbraw/zinc/70/91/12/563709112.db2.gz WXZWUKZYSRUTGJ-OAHLLOKOSA-N 1 2 323.444 3.675 50 0 DHAALO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000007926911 563717708 /nfs/dbraw/zinc/71/77/08/563717708.db2.gz ZHJWNAOEVQWWMA-UHFFFAOYSA-N 1 2 306.456 3.541 50 0 DHAALO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007926911 563717711 /nfs/dbraw/zinc/71/77/11/563717711.db2.gz ZHJWNAOEVQWWMA-UHFFFAOYSA-N 1 2 306.456 3.541 50 0 DHAALO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007926845 563718357 /nfs/dbraw/zinc/71/83/57/563718357.db2.gz PELOIYAUHULHNE-UHFFFAOYSA-N 1 2 308.834 3.780 50 0 DHAALO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000007926845 563718359 /nfs/dbraw/zinc/71/83/59/563718359.db2.gz PELOIYAUHULHNE-UHFFFAOYSA-N 1 2 308.834 3.780 50 0 DHAALO C[C@H]1SCC[N@H+](Cc2cnc(Cl)cn2)[C@@H]1c1ccccc1 ZINC000225574000 563759255 /nfs/dbraw/zinc/75/92/55/563759255.db2.gz VWRDNWUQGFJJIE-WBMJQRKESA-N 1 2 319.861 3.809 50 0 DHAALO C[C@H]1SCC[N@@H+](Cc2cnc(Cl)cn2)[C@@H]1c1ccccc1 ZINC000225574000 563759259 /nfs/dbraw/zinc/75/92/59/563759259.db2.gz VWRDNWUQGFJJIE-WBMJQRKESA-N 1 2 319.861 3.809 50 0 DHAALO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(Cl)c1F ZINC000162275653 563784980 /nfs/dbraw/zinc/78/49/80/563784980.db2.gz XEXCYDJIGPKFST-ZDUSSCGKSA-N 1 2 322.815 3.648 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052248145 563785497 /nfs/dbraw/zinc/78/54/97/563785497.db2.gz JASTZBTWLZYCLK-MRXNPFEDSA-N 1 2 306.793 3.518 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052248145 563785498 /nfs/dbraw/zinc/78/54/98/563785498.db2.gz JASTZBTWLZYCLK-MRXNPFEDSA-N 1 2 306.793 3.518 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1cc(C)ccc1C ZINC000012602777 563802916 /nfs/dbraw/zinc/80/29/16/563802916.db2.gz SCJMXLHRYOCAAS-INIZCTEOSA-N 1 2 324.424 3.655 50 0 DHAALO Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3)on2)c(C)[nH+]1 ZINC000121117910 563834237 /nfs/dbraw/zinc/83/42/37/563834237.db2.gz XZFDHFKHWOECJO-UHFFFAOYSA-N 1 2 307.353 3.914 50 0 DHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccc[nH]1 ZINC000035355457 563866675 /nfs/dbraw/zinc/86/66/75/563866675.db2.gz NLWLGFODQDNBTP-IBGZPJMESA-N 1 2 322.433 3.907 50 0 DHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccc[nH]1 ZINC000035355457 563866679 /nfs/dbraw/zinc/86/66/79/563866679.db2.gz NLWLGFODQDNBTP-IBGZPJMESA-N 1 2 322.433 3.907 50 0 DHAALO CSc1nnc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)s1 ZINC000089496661 563887860 /nfs/dbraw/zinc/88/78/60/563887860.db2.gz IBLSBRWYZOBDBE-CQSZACIVSA-N 1 2 317.483 3.912 50 0 DHAALO CSc1nnc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)s1 ZINC000089496661 563887862 /nfs/dbraw/zinc/88/78/62/563887862.db2.gz IBLSBRWYZOBDBE-CQSZACIVSA-N 1 2 317.483 3.912 50 0 DHAALO CC(C)CNC(=O)c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000064757210 563892854 /nfs/dbraw/zinc/89/28/54/563892854.db2.gz SFKQKOKEOGGVAV-UHFFFAOYSA-N 1 2 323.440 3.735 50 0 DHAALO Cn1cc[nH+]c1[C@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000036660059 563902545 /nfs/dbraw/zinc/90/25/45/563902545.db2.gz UYHTZHVFWGIYIQ-GOSISDBHSA-N 1 2 311.429 3.596 50 0 DHAALO CC(C)N(C(=O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000076093301 563912330 /nfs/dbraw/zinc/91/23/30/563912330.db2.gz PUHLBFBJEIDREQ-INIZCTEOSA-N 1 2 308.853 3.732 50 0 DHAALO CC(C)N(C(=O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000076093301 563912331 /nfs/dbraw/zinc/91/23/31/563912331.db2.gz PUHLBFBJEIDREQ-INIZCTEOSA-N 1 2 308.853 3.732 50 0 DHAALO CC(C)N(C(=O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000076093299 563912367 /nfs/dbraw/zinc/91/23/67/563912367.db2.gz PUHLBFBJEIDREQ-MRXNPFEDSA-N 1 2 308.853 3.732 50 0 DHAALO CC(C)N(C(=O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000076093299 563912368 /nfs/dbraw/zinc/91/23/68/563912368.db2.gz PUHLBFBJEIDREQ-MRXNPFEDSA-N 1 2 308.853 3.732 50 0 DHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000252444188 563914948 /nfs/dbraw/zinc/91/49/48/563914948.db2.gz ODFSFKFTSTZOOC-ZIAGYGMSSA-N 1 2 314.454 3.545 50 0 DHAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000252444188 563914949 /nfs/dbraw/zinc/91/49/49/563914949.db2.gz ODFSFKFTSTZOOC-ZIAGYGMSSA-N 1 2 314.454 3.545 50 0 DHAALO Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)o1 ZINC000007738642 563918498 /nfs/dbraw/zinc/91/84/98/563918498.db2.gz QITUYWPDOJTEPJ-CYBMUJFWSA-N 1 2 309.369 3.573 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)OCc1cccc(Cl)c1 ZINC000012659188 563928928 /nfs/dbraw/zinc/92/89/28/563928928.db2.gz ACUJAJUXELCZMW-UHFFFAOYSA-N 1 2 314.772 3.742 50 0 DHAALO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccc(Br)cc1 ZINC000037886425 563930459 /nfs/dbraw/zinc/93/04/59/563930459.db2.gz OMCVDSWLSNYPJR-CQSZACIVSA-N 1 2 308.223 3.722 50 0 DHAALO Cc1cccc(N2CC[N@@H+](Cc3cnc(Cl)s3)C[C@@H]2C)c1 ZINC000020367038 563931077 /nfs/dbraw/zinc/93/10/77/563931077.db2.gz AVUUIXDNELRJGS-ZDUSSCGKSA-N 1 2 321.877 3.816 50 0 DHAALO Cc1cccc(N2CC[N@H+](Cc3cnc(Cl)s3)C[C@@H]2C)c1 ZINC000020367038 563931078 /nfs/dbraw/zinc/93/10/78/563931078.db2.gz AVUUIXDNELRJGS-ZDUSSCGKSA-N 1 2 321.877 3.816 50 0 DHAALO C[C@H]([NH2+]Cc1cscn1)c1cc(Br)ccc1F ZINC000095967550 563933003 /nfs/dbraw/zinc/93/30/03/563933003.db2.gz TWVNOLGKYPNHMK-QMMMGPOBSA-N 1 2 315.211 3.896 50 0 DHAALO CCn1c(C)nnc1C[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000095985229 563934254 /nfs/dbraw/zinc/93/42/54/563934254.db2.gz FLGQQXYAFHHVBL-INIZCTEOSA-N 1 2 306.841 3.747 50 0 DHAALO Cc1ccc(NC(=O)CCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000096102073 563935289 /nfs/dbraw/zinc/93/52/89/563935289.db2.gz UPTOLWVJBPTKAM-UHFFFAOYSA-N 1 2 309.413 3.562 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC(C)(C)C)cc1Cl ZINC000028406046 563939442 /nfs/dbraw/zinc/93/94/42/563939442.db2.gz UGTYJHOAJRUAOK-UHFFFAOYSA-N 1 2 315.808 3.988 50 0 DHAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1F ZINC000008320588 563947864 /nfs/dbraw/zinc/94/78/64/563947864.db2.gz MDLZHCPIIXAKFF-CQSZACIVSA-N 1 2 304.390 3.663 50 0 DHAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1F ZINC000008320588 563947866 /nfs/dbraw/zinc/94/78/66/563947866.db2.gz MDLZHCPIIXAKFF-CQSZACIVSA-N 1 2 304.390 3.663 50 0 DHAALO Cc1cccn2cc(CSc3ncnc4sccc43)[nH+]c12 ZINC000008425353 563948641 /nfs/dbraw/zinc/94/86/41/563948641.db2.gz RSGKDIGTDGQGPP-UHFFFAOYSA-N 1 2 312.423 3.940 50 0 DHAALO COc1c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c(C(C)C)nn1C ZINC000069418560 563952732 /nfs/dbraw/zinc/95/27/32/563952732.db2.gz TYFIMEVQDVXJFN-OCCSQVGLSA-N 1 2 317.433 3.558 50 0 DHAALO C[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1cc[nH+]c1 ZINC000069443181 563952821 /nfs/dbraw/zinc/95/28/21/563952821.db2.gz ONIFCTRDBRFBAD-INIZCTEOSA-N 1 2 319.408 3.770 50 0 DHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccccc3)n2)cn1 ZINC000069740434 563954351 /nfs/dbraw/zinc/95/43/51/563954351.db2.gz XAHUAMLQZNBALL-KRWDZBQOSA-N 1 2 324.453 3.881 50 0 DHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccccc3)n2)cn1 ZINC000069740434 563954352 /nfs/dbraw/zinc/95/43/52/563954352.db2.gz XAHUAMLQZNBALL-KRWDZBQOSA-N 1 2 324.453 3.881 50 0 DHAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000010341955 563958584 /nfs/dbraw/zinc/95/85/84/563958584.db2.gz BCHTWCMAYKSZMZ-CQSZACIVSA-N 1 2 314.454 3.750 50 0 DHAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000010341955 563958585 /nfs/dbraw/zinc/95/85/85/563958585.db2.gz BCHTWCMAYKSZMZ-CQSZACIVSA-N 1 2 314.454 3.750 50 0 DHAALO CCn1c2ccccc2nc1SCc1cn2ccccc2[nH+]1 ZINC000006972446 568419086 /nfs/dbraw/zinc/41/90/86/568419086.db2.gz WGPZZSAOFDMIKC-UHFFFAOYSA-N 1 2 308.410 3.996 50 0 DHAALO Cc1ccc2c(c1)nc(C[NH2+][C@H](C)c1ccncc1Cl)n2C ZINC000952876359 1032668239 /nfs/dbraw/zinc/66/82/39/1032668239.db2.gz OBHXBGNHOWOPIE-GFCCVEGCSA-N 1 2 314.820 3.781 50 0 DHAALO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C2CCCCC2)[nH+]c1C ZINC000952992398 1032678412 /nfs/dbraw/zinc/67/84/12/1032678412.db2.gz LYBNIBAEBAGJPN-ZACQAIPSSA-N 1 2 315.461 3.906 50 0 DHAALO Cn1cncc1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000177237463 1021232817 /nfs/dbraw/zinc/23/28/17/1021232817.db2.gz VZVKLYAMKQZLIL-INIZCTEOSA-N 1 2 315.467 3.691 50 0 DHAALO Cn1cncc1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000177237463 1021232831 /nfs/dbraw/zinc/23/28/31/1021232831.db2.gz VZVKLYAMKQZLIL-INIZCTEOSA-N 1 2 315.467 3.691 50 0 DHAALO CN(C)c1[nH+]cc(CSC2CCOCC2)c2ccccc21 ZINC000585138111 1029825987 /nfs/dbraw/zinc/82/59/87/1029825987.db2.gz OPQVVRKSXKIGGA-UHFFFAOYSA-N 1 2 302.443 3.713 50 0 DHAALO CCCC(=O)Nc1cccc(NCc2cn3ccccc3[nH+]2)c1 ZINC000095409491 185356910 /nfs/dbraw/zinc/35/69/10/185356910.db2.gz ZPVRKVNRDROMFN-UHFFFAOYSA-N 1 2 308.385 3.685 50 0 DHAALO CC[C@@H](c1ccc(F)cc1F)[S@](=O)Cc1[nH+]ccn1CC ZINC000097013132 185397022 /nfs/dbraw/zinc/39/70/22/185397022.db2.gz UCXHXUMXYDAAPF-QKKBWIMNSA-N 1 2 312.385 3.581 50 0 DHAALO CCn1cc(C[N@H+](C)Cc2nc(-c3ccccc3C)oc2C)cn1 ZINC000071768030 191028841 /nfs/dbraw/zinc/02/88/41/191028841.db2.gz VKOHCMIHIJZSFY-UHFFFAOYSA-N 1 2 324.428 3.807 50 0 DHAALO CCn1cc(C[N@@H+](C)Cc2nc(-c3ccccc3C)oc2C)cn1 ZINC000071768030 191028844 /nfs/dbraw/zinc/02/88/44/191028844.db2.gz VKOHCMIHIJZSFY-UHFFFAOYSA-N 1 2 324.428 3.807 50 0 DHAALO CCN1CNC(SCc2c(C)c(C)c(C)c(C)c2C)=[NH+]C1 ZINC000000144740 180707351 /nfs/dbraw/zinc/70/73/51/180707351.db2.gz MCTXLSSLBNCAKW-UHFFFAOYSA-N 1 2 305.491 3.658 50 0 DHAALO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000003323161 181005367 /nfs/dbraw/zinc/00/53/67/181005367.db2.gz LOXPIYUNAUUKHU-UHFFFAOYSA-N 1 2 314.404 3.767 50 0 DHAALO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000003323161 181005369 /nfs/dbraw/zinc/00/53/69/181005369.db2.gz LOXPIYUNAUUKHU-UHFFFAOYSA-N 1 2 314.404 3.767 50 0 DHAALO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2F)cc1C ZINC000003346668 181009781 /nfs/dbraw/zinc/00/97/81/181009781.db2.gz AYFNNEGKDPUMET-UHFFFAOYSA-N 1 2 300.377 3.513 50 0 DHAALO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2F)cc1C ZINC000003346668 181009782 /nfs/dbraw/zinc/00/97/82/181009782.db2.gz AYFNNEGKDPUMET-UHFFFAOYSA-N 1 2 300.377 3.513 50 0 DHAALO Clc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC000003886952 181052754 /nfs/dbraw/zinc/05/27/54/181052754.db2.gz DOOBXNPTUKTSNY-UHFFFAOYSA-N 1 2 307.850 3.819 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)c1ccccc1 ZINC000005209165 181217068 /nfs/dbraw/zinc/21/70/68/181217068.db2.gz PEXAOMHRVJFUGN-CQSZACIVSA-N 1 2 307.397 3.612 50 0 DHAALO Cc1cc(F)c(C(=O)Nc2ccccc2-c2[nH]cc[nH+]2)cc1F ZINC000089570413 192819442 /nfs/dbraw/zinc/81/94/42/192819442.db2.gz TXJGRCFTQANWRS-UHFFFAOYSA-N 1 2 313.307 3.916 50 0 DHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)SCC)CC1 ZINC000091746335 193100889 /nfs/dbraw/zinc/10/08/89/193100889.db2.gz QEAOLSUMFHWRDS-CQSZACIVSA-N 1 2 323.506 3.531 50 0 DHAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NC(C)C ZINC000017121525 182076401 /nfs/dbraw/zinc/07/64/01/182076401.db2.gz PTLBJQDOSHHWDS-UHFFFAOYSA-N 1 2 301.781 3.598 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)ccc1C ZINC000017334639 182083932 /nfs/dbraw/zinc/08/39/32/182083932.db2.gz FTOQYCHGEJHBOQ-UHFFFAOYSA-N 1 2 307.397 3.854 50 0 DHAALO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019299791 182113459 /nfs/dbraw/zinc/11/34/59/182113459.db2.gz FUTUTAWLBRNDRN-OKILXGFUSA-N 1 2 300.402 3.568 50 0 DHAALO Cc1oc(-c2ccccc2C)nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019299791 182113460 /nfs/dbraw/zinc/11/34/60/182113460.db2.gz FUTUTAWLBRNDRN-OKILXGFUSA-N 1 2 300.402 3.568 50 0 DHAALO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000019370725 182119718 /nfs/dbraw/zinc/11/97/18/182119718.db2.gz ULLZTTJZLNLKQO-UHFFFAOYSA-N 1 2 324.346 3.616 50 0 DHAALO CN1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000019536758 182129479 /nfs/dbraw/zinc/12/94/79/182129479.db2.gz RHTVLVXDZUFGCM-UHFFFAOYSA-N 1 2 316.832 3.880 50 0 DHAALO CCCCCSc1nc2sc3c(c2c(N)n1)CC[N@H+](C)C3 ZINC000020442782 182218198 /nfs/dbraw/zinc/21/81/98/182218198.db2.gz QUOKQJMLCLBVCB-UHFFFAOYSA-N 1 2 322.503 3.544 50 0 DHAALO CCCCCSc1nc2sc3c(c2c(N)n1)CC[N@@H+](C)C3 ZINC000020442782 182218200 /nfs/dbraw/zinc/21/82/00/182218200.db2.gz QUOKQJMLCLBVCB-UHFFFAOYSA-N 1 2 322.503 3.544 50 0 DHAALO Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000038833372 183010854 /nfs/dbraw/zinc/01/08/54/183010854.db2.gz FFKCXKPDODLZGP-UHFFFAOYSA-N 1 2 305.381 3.801 50 0 DHAALO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000040555316 183101974 /nfs/dbraw/zinc/10/19/74/183101974.db2.gz GEOIPRYUUSKZSA-UHFFFAOYSA-N 1 2 311.429 3.548 50 0 DHAALO Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000040555316 183101976 /nfs/dbraw/zinc/10/19/76/183101976.db2.gz GEOIPRYUUSKZSA-UHFFFAOYSA-N 1 2 311.429 3.548 50 0 DHAALO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccccc1Cl ZINC000057991544 184065364 /nfs/dbraw/zinc/06/53/64/184065364.db2.gz NHDCFAZGTFCQTP-CQSZACIVSA-N 1 2 308.853 3.563 50 0 DHAALO C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1ccccc1Cl ZINC000057991544 184065366 /nfs/dbraw/zinc/06/53/66/184065366.db2.gz NHDCFAZGTFCQTP-CQSZACIVSA-N 1 2 308.853 3.563 50 0 DHAALO c1ccc2[nH+]c(NCCNc3cnc4ccccc4n3)ccc2c1 ZINC000058394144 184112491 /nfs/dbraw/zinc/11/24/91/184112491.db2.gz SECUDYCTQYUIBI-UHFFFAOYSA-N 1 2 315.380 3.702 50 0 DHAALO Cc1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc[nH+]1 ZINC000058434599 184118576 /nfs/dbraw/zinc/11/85/76/184118576.db2.gz LMRAEEQABIIRAA-UHFFFAOYSA-N 1 2 305.337 3.830 50 0 DHAALO CCc1ccccc1NC(=O)CCc1cc[nH+]c(N2CCCC2)c1 ZINC000065269644 184320200 /nfs/dbraw/zinc/32/02/00/184320200.db2.gz SHSTUWMNWBGUIC-UHFFFAOYSA-N 1 2 323.440 3.816 50 0 DHAALO COC[C@@H](Nc1cc(C)[nH+]c(-c2ccccc2)n1)c1ccccn1 ZINC000065490534 184353515 /nfs/dbraw/zinc/35/35/15/184353515.db2.gz PGBWJORLXWOYJC-QGZVFWFLSA-N 1 2 320.396 3.647 50 0 DHAALO CC(C)(C)[N@H+](Cc1ccco1)Cc1nc(-c2ccco2)no1 ZINC000065405153 184337910 /nfs/dbraw/zinc/33/79/10/184337910.db2.gz SUZAVLZYPCMTJV-UHFFFAOYSA-N 1 2 301.346 3.723 50 0 DHAALO CC(C)(C)[N@@H+](Cc1ccco1)Cc1nc(-c2ccco2)no1 ZINC000065405153 184337911 /nfs/dbraw/zinc/33/79/11/184337911.db2.gz SUZAVLZYPCMTJV-UHFFFAOYSA-N 1 2 301.346 3.723 50 0 DHAALO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C)c3ccon3)c2cc1C ZINC000065508694 184357444 /nfs/dbraw/zinc/35/74/44/184357444.db2.gz AFENAUQEAJDUCJ-ZDUSSCGKSA-N 1 2 312.369 3.591 50 0 DHAALO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C)c3ccon3)c2cc1C ZINC000065508694 184357445 /nfs/dbraw/zinc/35/74/45/184357445.db2.gz AFENAUQEAJDUCJ-ZDUSSCGKSA-N 1 2 312.369 3.591 50 0 DHAALO c1c(-c2ccc(NCC[C@H]3CCOC3)cc2)[nH+]c2n1CCCC2 ZINC000408514305 257255907 /nfs/dbraw/zinc/25/59/07/257255907.db2.gz CCOIVJPFCMTLME-HNNXBMFYSA-N 1 2 311.429 3.725 50 0 DHAALO CCc1[nH]c(C)c(-c2nccn2-c2ccc3scnc3c2)[nH+]1 ZINC000071762716 257270410 /nfs/dbraw/zinc/27/04/10/257270410.db2.gz APTQVADULNHWJX-UHFFFAOYSA-N 1 2 309.398 3.743 50 0 DHAALO Cc1cc(NCC2(Cn3cccn3)CC2)[nH+]c2ccc(F)cc12 ZINC000534674553 435297659 /nfs/dbraw/zinc/29/76/59/435297659.db2.gz CIDFDNKBPQNIHX-UHFFFAOYSA-N 1 2 310.376 3.771 50 0 DHAALO Cc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000012629458 331533129 /nfs/dbraw/zinc/53/31/29/331533129.db2.gz JWGBHLLOQWBDEH-UHFFFAOYSA-N 1 2 320.396 3.562 50 0 DHAALO CCCc1ccc([C@@H](C)NC(=O)N(C)Cc2[nH]cc(C)[nH+]2)cc1 ZINC000534652441 334312490 /nfs/dbraw/zinc/31/24/90/334312490.db2.gz 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563325050 /nfs/dbraw/zinc/32/50/50/563325050.db2.gz JBIPFWMLXZMTQX-UHFFFAOYSA-N 1 2 311.429 3.617 50 0 DHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3)n2)C1 ZINC000012992791 563376738 /nfs/dbraw/zinc/37/67/38/563376738.db2.gz YDVKSJSAZSJAFI-CYBMUJFWSA-N 1 2 315.442 3.627 50 0 DHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3)n2)C1 ZINC000012992791 563376741 /nfs/dbraw/zinc/37/67/41/563376741.db2.gz YDVKSJSAZSJAFI-CYBMUJFWSA-N 1 2 315.442 3.627 50 0 DHAALO Cc1cccc(-c2nc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)c1 ZINC000013322574 563380879 /nfs/dbraw/zinc/38/08/79/563380879.db2.gz QXFXTTXEZXRDNW-OKILXGFUSA-N 1 2 302.443 3.728 50 0 DHAALO Cc1cccc(-c2nc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)c1 ZINC000013322574 563380881 /nfs/dbraw/zinc/38/08/81/563380881.db2.gz QXFXTTXEZXRDNW-OKILXGFUSA-N 1 2 302.443 3.728 50 0 DHAALO Cc1c(C)n(-c2cc(C)ccn2)c2nc[nH+]c(NCC(C)C)c12 ZINC000013719236 563387449 /nfs/dbraw/zinc/38/74/49/563387449.db2.gz IXXXFMGCYVHZIS-UHFFFAOYSA-N 1 2 309.417 3.809 50 0 DHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cl)c1 ZINC000032935959 563414574 /nfs/dbraw/zinc/41/45/74/563414574.db2.gz KNWLZKGMPWRYJV-CQSZACIVSA-N 1 2 320.824 3.773 50 0 DHAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000030643034 563437269 /nfs/dbraw/zinc/43/72/69/563437269.db2.gz QVEAVDSQGPFWSL-KRWDZBQOSA-N 1 2 311.816 3.953 50 0 DHAALO Cc1cccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000030645905 563437512 /nfs/dbraw/zinc/43/75/12/563437512.db2.gz IWVLJYKIVJPZAG-GOSISDBHSA-N 1 2 309.388 3.747 50 0 DHAALO Cc1ccc(Cl)c2sc(NCCCn3cc[nH+]c3)nc21 ZINC000036657645 563456970 /nfs/dbraw/zinc/45/69/70/563456970.db2.gz JZUFNBWMODHDTD-UHFFFAOYSA-N 1 2 306.822 3.957 50 0 DHAALO C[C@H]1SCC[N@H+](Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 ZINC000071911156 563468979 /nfs/dbraw/zinc/46/89/79/563468979.db2.gz KNMAFRRAMVBWNN-MLGOLLRUSA-N 1 2 315.442 3.626 50 0 DHAALO C[C@H]1SCC[N@@H+](Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 ZINC000071911156 563468983 /nfs/dbraw/zinc/46/89/83/563468983.db2.gz KNMAFRRAMVBWNN-MLGOLLRUSA-N 1 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Cc1ccc(Oc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)cc1 ZINC000012525571 563797529 /nfs/dbraw/zinc/79/75/29/563797529.db2.gz DUAKLLCNZFTVNP-UHFFFAOYSA-N 1 2 307.353 3.623 50 0 DHAALO Cc1cc(Cl)ccc1C(=O)N[C@@H](c1[nH+]ccn1C)C(C)C ZINC000299799749 563806489 /nfs/dbraw/zinc/80/64/89/563806489.db2.gz ZWELPBQYRHPIRO-CQSZACIVSA-N 1 2 305.809 3.509 50 0 DHAALO CC12CN3CC(C)(C[NH+](C1)C3c1c[nH]c3cc(Cl)ccc31)C2 ZINC000032123814 563811643 /nfs/dbraw/zinc/81/16/43/563811643.db2.gz RMOQRZWGASUDQO-UHFFFAOYSA-N 1 2 315.848 3.867 50 0 biogenic DHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccc[nH]1 ZINC000035355454 563866850 /nfs/dbraw/zinc/86/68/50/563866850.db2.gz NLWLGFODQDNBTP-LJQANCHMSA-N 1 2 322.433 3.907 50 0 DHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccc[nH]1 ZINC000035355454 563866852 /nfs/dbraw/zinc/86/68/52/563866852.db2.gz NLWLGFODQDNBTP-LJQANCHMSA-N 1 2 322.433 3.907 50 0 DHAALO Cc1[nH+]c2cc(NC(=O)Nc3cccnc3Cl)ccc2n1C ZINC000076089481 563912418 /nfs/dbraw/zinc/91/24/18/563912418.db2.gz GCDHFIATHUBCQR-UHFFFAOYSA-N 1 2 315.764 3.574 50 0 DHAALO CN(C)C(=O)c1ccc(CNc2ccc3ccccc3[nH+]2)cc1 ZINC000301070270 563916087 /nfs/dbraw/zinc/91/60/87/563916087.db2.gz IGKLVQFHQKJRIV-UHFFFAOYSA-N 1 2 305.381 3.549 50 0 DHAALO COc1ccccc1C(=O)Nc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC000079498068 563930429 /nfs/dbraw/zinc/93/04/29/563930429.db2.gz RNTJSWFZUQIPFW-UHFFFAOYSA-N 1 2 307.353 3.701 50 0 DHAALO Cc1cnc(C[NH2+]Cc2ccc(C)cc2Br)s1 ZINC000095973532 563933639 /nfs/dbraw/zinc/93/36/39/563933639.db2.gz PDHPJYAQKQIYDF-UHFFFAOYSA-N 1 2 311.248 3.812 50 0 DHAALO Cc1cccc2nc(C[N@@H+](C)Cc3ccc([C@H]4C[C@H]4C)o3)cn21 ZINC000230070899 563941501 /nfs/dbraw/zinc/94/15/01/563941501.db2.gz RRIMJGXUSMYTRF-DYVFJYSZSA-N 1 2 309.413 3.991 50 0 DHAALO Cc1cccc2nc(C[N@H+](C)Cc3ccc([C@H]4C[C@H]4C)o3)cn21 ZINC000230070899 563941502 /nfs/dbraw/zinc/94/15/02/563941502.db2.gz RRIMJGXUSMYTRF-DYVFJYSZSA-N 1 2 309.413 3.991 50 0 DHAALO Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccn3C)n2)cc1 ZINC000008327726 563947921 /nfs/dbraw/zinc/94/79/21/563947921.db2.gz XLNAPLVNSUPKHB-QGZVFWFLSA-N 1 2 322.412 3.721 50 0 DHAALO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccn3C)n2)cc1 ZINC000008327726 563947922 /nfs/dbraw/zinc/94/79/22/563947922.db2.gz XLNAPLVNSUPKHB-QGZVFWFLSA-N 1 2 322.412 3.721 50 0 DHAALO Cn1cc[nH+]c1[C@H](Nc1ncnc2ccsc21)c1ccccc1 ZINC000008705078 563949820 /nfs/dbraw/zinc/94/98/20/563949820.db2.gz CNBBPLQRYJUDTE-CQSZACIVSA-N 1 2 321.409 3.626 50 0 DHAALO Cc1ccc2oc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2n1 ZINC000069742416 563954512 /nfs/dbraw/zinc/95/45/12/563954512.db2.gz JQIDZOZWOFPBOK-UHFFFAOYSA-N 1 2 318.336 3.574 50 0 DHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc(C3CCCC3)n2)cn1 ZINC000071797182 563958561 /nfs/dbraw/zinc/95/85/61/563958561.db2.gz JQBWIONSCXLHJH-MRXNPFEDSA-N 1 2 316.474 3.871 50 0 DHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2csc(C3CCCC3)n2)cn1 ZINC000071797182 563958562 /nfs/dbraw/zinc/95/85/62/563958562.db2.gz JQBWIONSCXLHJH-MRXNPFEDSA-N 1 2 316.474 3.871 50 0 DHAALO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1csc2ccccc12 ZINC000071795572 568419901 /nfs/dbraw/zinc/41/99/01/568419901.db2.gz IYUAAEWCLHNWJX-CABCVRRESA-N 1 2 311.410 3.621 50 0 DHAALO CC(C)([NH2+]Cc1nccs1)c1ccccc1Br ZINC000179328362 1017237776 /nfs/dbraw/zinc/23/77/76/1017237776.db2.gz RDKJTEDWSGHMGT-UHFFFAOYSA-N 1 2 311.248 3.931 50 0 DHAALO FC(F)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC000952883199 1032672845 /nfs/dbraw/zinc/67/28/45/1032672845.db2.gz VEVJOWJSUOXAHP-HNNXBMFYSA-N 1 2 319.355 3.805 50 0 DHAALO FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC000952883199 1032672876 /nfs/dbraw/zinc/67/28/76/1032672876.db2.gz VEVJOWJSUOXAHP-HNNXBMFYSA-N 1 2 319.355 3.805 50 0 DHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1F ZINC000012942406 1017804978 /nfs/dbraw/zinc/80/49/78/1017804978.db2.gz HSXCUOOEIJIZRD-UHFFFAOYSA-N 1 2 319.405 3.520 50 0 DHAALO CCCn1cc[nH+]c1CNC(=O)Nc1cc(C)c(F)cc1Cl ZINC000095497477 185374358 /nfs/dbraw/zinc/37/43/58/185374358.db2.gz QDIBMMMSOZVTDR-UHFFFAOYSA-N 1 2 324.787 3.716 50 0 DHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000095522006 185377299 /nfs/dbraw/zinc/37/72/99/185377299.db2.gz YVZUSEMNMCCRQX-HNNXBMFYSA-N 1 2 318.465 3.515 50 0 DHAALO OC[C@H]1C[N@@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000090728272 185311409 /nfs/dbraw/zinc/31/14/09/185311409.db2.gz YAFYNSAZZKZZSR-FKHAVUOCSA-N 1 2 315.416 3.655 50 0 DHAALO OC[C@H]1C[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000090728272 185311410 /nfs/dbraw/zinc/31/14/10/185311410.db2.gz YAFYNSAZZKZZSR-FKHAVUOCSA-N 1 2 315.416 3.655 50 0 DHAALO Cn1cc[nH+]c1CNc1cccc(COc2cccc(F)c2)c1 ZINC000095428726 185362261 /nfs/dbraw/zinc/36/22/61/185362261.db2.gz DYCFBBSEGGVZPH-UHFFFAOYSA-N 1 2 311.360 3.750 50 0 DHAALO Cc1ccc(SCC(F)(F)F)c(NCc2[nH]cc[nH+]2)c1 ZINC000095429238 185362725 /nfs/dbraw/zinc/36/27/25/185362725.db2.gz PLVUNMAHPHVOBD-UHFFFAOYSA-N 1 2 301.337 3.985 50 0 DHAALO Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1[nH]cc[nH+]1 ZINC000095436255 185365038 /nfs/dbraw/zinc/36/50/38/185365038.db2.gz XLMKMZDQFIKRFW-UHFFFAOYSA-N 1 2 302.378 3.677 50 0 DHAALO Cc1nnc([C@H]([NH2+][C@@H]2CCCc3sccc32)c2ccccc2)[nH]1 ZINC000095421726 185360664 /nfs/dbraw/zinc/36/06/64/185360664.db2.gz KCQFDRQMUZYEPX-NVXWUHKLSA-N 1 2 324.453 3.931 50 0 DHAALO CCc1cc(OCC(=O)Nc2ccccc2)c2ccccc2[nH+]1 ZINC000095445274 185367374 /nfs/dbraw/zinc/36/73/74/185367374.db2.gz BXHIRMGKKWDJGE-UHFFFAOYSA-N 1 2 306.365 3.815 50 0 DHAALO COc1cc(F)c([C@H](C)[NH2+]Cc2ccncc2Cl)cc1OC ZINC000097033484 185399852 /nfs/dbraw/zinc/39/98/52/185399852.db2.gz XHAPSOVGYFQLSB-JTQLQIEISA-N 1 2 324.783 3.742 50 0 DHAALO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072165589 191065847 /nfs/dbraw/zinc/06/58/47/191065847.db2.gz XMDCHRQHFOFTQK-HNNXBMFYSA-N 1 2 312.442 3.973 50 0 DHAALO Cc1ncsc1C[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072165589 191065849 /nfs/dbraw/zinc/06/58/49/191065849.db2.gz XMDCHRQHFOFTQK-HNNXBMFYSA-N 1 2 312.442 3.973 50 0 DHAALO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072165589 191065852 /nfs/dbraw/zinc/06/58/52/191065852.db2.gz XMDCHRQHFOFTQK-HNNXBMFYSA-N 1 2 312.442 3.973 50 0 DHAALO Cc1ncsc1C[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072165589 191065854 /nfs/dbraw/zinc/06/58/54/191065854.db2.gz XMDCHRQHFOFTQK-HNNXBMFYSA-N 1 2 312.442 3.973 50 0 DHAALO CC(C)CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccoc1 ZINC000225631702 186285244 /nfs/dbraw/zinc/28/52/44/186285244.db2.gz BQZQGPPWEMFUJB-MRXNPFEDSA-N 1 2 316.449 3.865 50 0 DHAALO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000000446280 180793768 /nfs/dbraw/zinc/79/37/68/180793768.db2.gz HUCBKSYEJCNGQJ-INIZCTEOSA-N 1 2 324.424 3.908 50 0 DHAALO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000003564669 181035138 /nfs/dbraw/zinc/03/51/38/181035138.db2.gz RGWUWGUNSKANCG-JTQLQIEISA-N 1 2 301.217 3.664 50 0 DHAALO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000003564669 181035141 /nfs/dbraw/zinc/03/51/41/181035141.db2.gz RGWUWGUNSKANCG-JTQLQIEISA-N 1 2 301.217 3.664 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCC(=O)NCCC1=CCCCC1 ZINC000005208410 181217033 /nfs/dbraw/zinc/21/70/33/181217033.db2.gz QWRREXQRYQMGTE-UHFFFAOYSA-N 1 2 311.429 3.742 50 0 DHAALO Cc1csc(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1Cl ZINC000239722400 202455089 /nfs/dbraw/zinc/45/50/89/202455089.db2.gz CCQVFYPZAURMKP-UHFFFAOYSA-N 1 2 319.817 3.596 50 0 DHAALO C=Cn1cc(CNc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)cn1 ZINC000194138830 201184629 /nfs/dbraw/zinc/18/46/29/201184629.db2.gz HAVRZZSPGVLQLT-UHFFFAOYSA-N 1 2 319.412 3.796 50 0 DHAALO CSc1cccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000006649044 181365319 /nfs/dbraw/zinc/36/53/19/181365319.db2.gz ZKQLQUGPBCMECX-UHFFFAOYSA-N 1 2 311.410 3.705 50 0 DHAALO CCN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)C(C)C ZINC000006723365 181376757 /nfs/dbraw/zinc/37/67/57/181376757.db2.gz JJNBEBJNAXMTPO-UHFFFAOYSA-N 1 2 319.836 3.589 50 0 DHAALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1cccc(F)c1 ZINC000006839538 181397936 /nfs/dbraw/zinc/39/79/36/181397936.db2.gz XXSZBJZMEUAAGB-UHFFFAOYSA-N 1 2 324.758 3.689 50 0 DHAALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1cccc(F)c1 ZINC000006839538 181397937 /nfs/dbraw/zinc/39/79/37/181397937.db2.gz XXSZBJZMEUAAGB-UHFFFAOYSA-N 1 2 324.758 3.689 50 0 DHAALO COc1ccccc1OC1CN(c2[nH+]ccc3ccccc32)C1 ZINC000096153629 193554050 /nfs/dbraw/zinc/55/40/50/193554050.db2.gz KMVOGFAYERKVON-UHFFFAOYSA-N 1 2 306.365 3.511 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C)cc1C ZINC000015860732 182022691 /nfs/dbraw/zinc/02/26/91/182022691.db2.gz TWXFPURQRJOYDB-MRXNPFEDSA-N 1 2 324.424 3.655 50 0 DHAALO CCCN(CCC)c1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000017271713 182080612 /nfs/dbraw/zinc/08/06/12/182080612.db2.gz YBXRITCHTAUBHP-UHFFFAOYSA-N 1 2 313.380 3.581 50 0 DHAALO Cn1c2ccccc2n(CCCOc2ccccc2Cl)c1=[NH2+] ZINC000019901281 182162234 /nfs/dbraw/zinc/16/22/34/182162234.db2.gz LROBBINJPVBSEJ-UHFFFAOYSA-N 1 2 315.804 3.582 50 0 DHAALO CCCn1c2ccccc2n(CCOc2ccc(C)cc2)c1=[NH2+] ZINC000019996088 182175494 /nfs/dbraw/zinc/17/54/94/182175494.db2.gz VMVXETSGXJOCFZ-UHFFFAOYSA-N 1 2 309.413 3.720 50 0 DHAALO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000036378407 182820716 /nfs/dbraw/zinc/82/07/16/182820716.db2.gz FRRHVUCHVYJVNQ-VIFPVBQESA-N 1 2 305.428 3.651 50 0 DHAALO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000036378407 182820718 /nfs/dbraw/zinc/82/07/18/182820718.db2.gz FRRHVUCHVYJVNQ-VIFPVBQESA-N 1 2 305.428 3.651 50 0 DHAALO CC[N@H+](CCCNC(=O)c1sccc1C)c1ccccc1 ZINC000040017228 183028395 /nfs/dbraw/zinc/02/83/95/183028395.db2.gz ZBEIZGQBXLBNDF-UHFFFAOYSA-N 1 2 302.443 3.703 50 0 DHAALO CC[N@@H+](CCCNC(=O)c1sccc1C)c1ccccc1 ZINC000040017228 183028397 /nfs/dbraw/zinc/02/83/97/183028397.db2.gz ZBEIZGQBXLBNDF-UHFFFAOYSA-N 1 2 302.443 3.703 50 0 DHAALO Cc1noc([C@H](C)[NH+]2CCC(Oc3c(C)cccc3C)CC2)n1 ZINC000051991633 183844574 /nfs/dbraw/zinc/84/45/74/183844574.db2.gz YRIYRRQGXDZNOA-AWEZNQCLSA-N 1 2 315.417 3.599 50 0 DHAALO c1ccc2c(c1)ccc1c2[C@@H]2[NH2+][C@@H](c3cccnc3)OC[C@H]2CO1 ZINC000063110708 184271170 /nfs/dbraw/zinc/27/11/70/184271170.db2.gz CVTVSDQCGJDMLX-CDHQVMDDSA-N 1 2 318.376 3.603 50 0 DHAALO O=C(Nc1cccc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000063990978 184291356 /nfs/dbraw/zinc/29/13/56/184291356.db2.gz DVJZDAIGYGWXDO-UHFFFAOYSA-N 1 2 320.396 3.974 50 0 DHAALO C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccco1 ZINC000065475429 184351869 /nfs/dbraw/zinc/35/18/69/184351869.db2.gz DVKJBIBGTSMRCQ-UHFFFAOYSA-N 1 2 304.296 3.845 50 0 DHAALO C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1ccco1 ZINC000065475429 184351871 /nfs/dbraw/zinc/35/18/71/184351871.db2.gz DVKJBIBGTSMRCQ-UHFFFAOYSA-N 1 2 304.296 3.845 50 0 DHAALO C[C@H]1c2cc(F)ccc2CC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000096406956 337381818 /nfs/dbraw/zinc/38/18/18/337381818.db2.gz OGMJKTVKVINYIT-NSHDSACASA-N 1 2 313.332 3.588 50 0 DHAALO C[C@H]1c2cc(F)ccc2CC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000096406956 337381819 /nfs/dbraw/zinc/38/18/19/337381819.db2.gz OGMJKTVKVINYIT-NSHDSACASA-N 1 2 313.332 3.588 50 0 DHAALO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc2c(s1)CCC2 ZINC000162709006 527141052 /nfs/dbraw/zinc/14/10/52/527141052.db2.gz PYXUAXXOPQQTAW-UHFFFAOYSA-N 1 2 309.394 3.879 50 0 DHAALO Cn1cc[nH+]c1CNc1ccc(Cl)cc1OCC(F)(F)F ZINC000124494608 527437943 /nfs/dbraw/zinc/43/79/43/527437943.db2.gz XGIBNQFQBKCZOU-UHFFFAOYSA-N 1 2 319.714 3.627 50 0 DHAALO Cc1ncsc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000093606498 527501582 /nfs/dbraw/zinc/50/15/82/527501582.db2.gz GMCYEATUEFVRED-ABAIWWIYSA-N 1 2 306.406 3.553 50 0 DHAALO Cc1ncsc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000093606498 527501588 /nfs/dbraw/zinc/50/15/88/527501588.db2.gz GMCYEATUEFVRED-ABAIWWIYSA-N 1 2 306.406 3.553 50 0 DHAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000055543866 563718486 /nfs/dbraw/zinc/71/84/86/563718486.db2.gz VRZANDREJGEGFC-CQSZACIVSA-N 1 2 315.335 3.623 50 0 DHAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000055543866 563718490 /nfs/dbraw/zinc/71/84/90/563718490.db2.gz VRZANDREJGEGFC-CQSZACIVSA-N 1 2 315.335 3.623 50 0 DHAALO Cc1nnc(C[N@H+](Cc2ccc(Cl)cc2F)C(C)(C)C)o1 ZINC000225450679 563755463 /nfs/dbraw/zinc/75/54/63/563755463.db2.gz POKSTLOHSHYPHU-UHFFFAOYSA-N 1 2 311.788 3.971 50 0 DHAALO Cc1nnc(C[N@@H+](Cc2ccc(Cl)cc2F)C(C)(C)C)o1 ZINC000225450679 563755465 /nfs/dbraw/zinc/75/54/65/563755465.db2.gz POKSTLOHSHYPHU-UHFFFAOYSA-N 1 2 311.788 3.971 50 0 DHAALO C[C@H]1C[NH+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC000026807634 563882524 /nfs/dbraw/zinc/88/25/24/563882524.db2.gz LDYHDDUMKHKVKO-RYUDHWBXSA-N 1 2 306.793 3.604 50 0 DHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000146500 563223814 /nfs/dbraw/zinc/22/38/14/563223814.db2.gz ONDXXZIDUKAMOL-UHFFFAOYSA-N 1 2 318.442 3.642 50 0 DHAALO COc1ccc(C=O)cc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000000485486 563262907 /nfs/dbraw/zinc/26/29/07/563262907.db2.gz JFLRQHFNVMTJEA-SFHVURJKSA-N 1 2 310.397 3.630 50 0 biogenic DHAALO COc1ccc(C=O)cc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000000485486 563262910 /nfs/dbraw/zinc/26/29/10/563262910.db2.gz JFLRQHFNVMTJEA-SFHVURJKSA-N 1 2 310.397 3.630 50 0 biogenic DHAALO O=C(CC[C@H]1CCCO1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000071899785 563326132 /nfs/dbraw/zinc/32/61/32/563326132.db2.gz OTYZFDQHELEBQD-OAHLLOKOSA-N 1 2 312.369 3.772 50 0 DHAALO Clc1ccc2c(c1)ncnc2NCc1cn2ccccc2[nH+]1 ZINC000032806310 563395678 /nfs/dbraw/zinc/39/56/78/563395678.db2.gz JPKQFMZCVKVNPP-UHFFFAOYSA-N 1 2 309.760 3.543 50 0 DHAALO S=c1n(C[N@@H+]2CCC[C@H]2c2cccs2)ncn1C1CC1 ZINC000014184664 563397785 /nfs/dbraw/zinc/39/77/85/563397785.db2.gz KCFRLFAPYAEURG-LBPRGKRZSA-N 1 2 306.460 3.605 50 0 DHAALO S=c1n(C[N@H+]2CCC[C@H]2c2cccs2)ncn1C1CC1 ZINC000014184664 563397788 /nfs/dbraw/zinc/39/77/88/563397788.db2.gz KCFRLFAPYAEURG-LBPRGKRZSA-N 1 2 306.460 3.605 50 0 DHAALO CC(C)[N@@H+](Cc1ccccc1)Cn1nc2ccccn2c1=S ZINC000014231797 563399045 /nfs/dbraw/zinc/39/90/45/563399045.db2.gz MDOSRLSRSZCMOB-UHFFFAOYSA-N 1 2 312.442 3.733 50 0 DHAALO CC(C)[N@H+](Cc1ccccc1)Cn1nc2ccccn2c1=S ZINC000014231797 563399051 /nfs/dbraw/zinc/39/90/51/563399051.db2.gz MDOSRLSRSZCMOB-UHFFFAOYSA-N 1 2 312.442 3.733 50 0 DHAALO Cc1ccccc1-c1cnnc(N[C@@H](C)Cc2[nH+]cccc2C)n1 ZINC000015076906 563406664 /nfs/dbraw/zinc/40/66/64/563406664.db2.gz PWUOHEWRVXQYSJ-HNNXBMFYSA-N 1 2 319.412 3.594 50 0 DHAALO CC(C)CCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000026146947 563425335 /nfs/dbraw/zinc/42/53/35/563425335.db2.gz PSBWLVUEXZSJAU-OAHLLOKOSA-N 1 2 314.433 3.669 50 0 DHAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000030644244 563437289 /nfs/dbraw/zinc/43/72/89/563437289.db2.gz YYJXOLCJYSJXQK-KRWDZBQOSA-N 1 2 313.351 3.578 50 0 DHAALO Cc1cccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)c1 ZINC000030645414 563437665 /nfs/dbraw/zinc/43/76/65/563437665.db2.gz SMEMXWBOYFKXAQ-GOSISDBHSA-N 1 2 309.388 3.747 50 0 DHAALO Cn1ccnc1[C@H]([NH2+]Cc1cccc(F)c1)c1cccc(F)c1 ZINC000030645430 563437746 /nfs/dbraw/zinc/43/77/46/563437746.db2.gz XPNROSFXWPAMSY-QGZVFWFLSA-N 1 2 313.351 3.578 50 0 DHAALO Cc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644425 563437779 /nfs/dbraw/zinc/43/77/79/563437779.db2.gz FHHJTBGPCKJRBM-GOSISDBHSA-N 1 2 309.388 3.747 50 0 DHAALO Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)cc1 ZINC000055142191 563471840 /nfs/dbraw/zinc/47/18/40/563471840.db2.gz MKJYOFABTHKRQF-UHFFFAOYSA-N 1 2 302.368 3.595 50 0 DHAALO Fc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1F ZINC000055543987 563476588 /nfs/dbraw/zinc/47/65/88/563476588.db2.gz YCUPBGKYWDWSNZ-UHFFFAOYSA-N 1 2 322.786 3.940 50 0 DHAALO CSc1ccc(O[C@H](C)C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000096419273 563480532 /nfs/dbraw/zinc/48/05/32/563480532.db2.gz FVXHLUJCWXWMTF-GFCCVEGCSA-N 1 2 302.399 3.518 50 0 DHAALO CCc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC000096417137 563480617 /nfs/dbraw/zinc/48/06/17/563480617.db2.gz TXVMRJFHZNSKOD-GOEBONIOSA-N 1 2 315.417 3.743 50 0 DHAALO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2nncn2CC2CC2)cc1 ZINC000097941491 563481203 /nfs/dbraw/zinc/48/12/03/563481203.db2.gz FNCBJEAPHZNENA-QGZVFWFLSA-N 1 2 314.408 3.554 50 0 DHAALO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2nncn2CC2CC2)cc1 ZINC000097941491 563481205 /nfs/dbraw/zinc/48/12/05/563481205.db2.gz FNCBJEAPHZNENA-QGZVFWFLSA-N 1 2 314.408 3.554 50 0 DHAALO Cc1cnc(Cn2cc[nH+]c2-c2cccc(-c3ccco3)c2)cn1 ZINC000071388689 563499168 /nfs/dbraw/zinc/49/91/68/563499168.db2.gz PEWHBSTUOKQJFH-UHFFFAOYSA-N 1 2 316.364 3.957 50 0 DHAALO CCc1[nH]c(C)c(-c2nccn2-c2ccc(OC)c(Cl)c2)[nH+]1 ZINC000071639674 563500910 /nfs/dbraw/zinc/50/09/10/563500910.db2.gz CPUQLKZJDACBMR-UHFFFAOYSA-N 1 2 316.792 3.795 50 0 DHAALO Cc1nc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)no1 ZINC000072149652 563502475 /nfs/dbraw/zinc/50/24/75/563502475.db2.gz SMNZCLMQVLMJDG-CYBMUJFWSA-N 1 2 321.371 3.501 50 0 DHAALO Cc1nc(C[N@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)no1 ZINC000072149652 563502476 /nfs/dbraw/zinc/50/24/76/563502476.db2.gz SMNZCLMQVLMJDG-CYBMUJFWSA-N 1 2 321.371 3.501 50 0 DHAALO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 ZINC000097034639 563504512 /nfs/dbraw/zinc/50/45/12/563504512.db2.gz VWBQIEWXRWTJRA-ZWNOBZJWSA-N 1 2 316.792 3.863 50 0 DHAALO Fc1ccc2[nH]c([C@H]3CCCC[N@@H+]3Cc3ccncc3)nc2c1 ZINC000077564204 563511461 /nfs/dbraw/zinc/51/14/61/563511461.db2.gz LFPQWWKPMJQFSR-QGZVFWFLSA-N 1 2 310.376 3.824 50 0 DHAALO Fc1ccc2[nH]c([C@H]3CCCC[N@H+]3Cc3ccncc3)nc2c1 ZINC000077564204 563511463 /nfs/dbraw/zinc/51/14/63/563511463.db2.gz LFPQWWKPMJQFSR-QGZVFWFLSA-N 1 2 310.376 3.824 50 0 DHAALO C[C@H](O)c1cccc(N2CCC(Cc3ccccc3F)CC2)[nH+]1 ZINC000096154078 563534720 /nfs/dbraw/zinc/53/47/20/563534720.db2.gz YVNALDJQTIHCEP-AWEZNQCLSA-N 1 2 314.404 3.733 50 0 DHAALO OCCC[C@H]1CCCC[N@@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000097137653 563537888 /nfs/dbraw/zinc/53/78/88/563537888.db2.gz OFNDRCUIRZISRK-LLVKDONJSA-N 1 2 318.244 3.826 50 0 DHAALO OCCC[C@H]1CCCC[N@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000097137653 563537891 /nfs/dbraw/zinc/53/78/91/563537891.db2.gz OFNDRCUIRZISRK-LLVKDONJSA-N 1 2 318.244 3.826 50 0 DHAALO CCOc1ccc(Cl)cc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000113398360 563581866 /nfs/dbraw/zinc/58/18/66/563581866.db2.gz VEPJWAFVDGQINM-UHFFFAOYSA-N 1 2 315.804 3.905 50 0 DHAALO Cc1nc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)no1 ZINC000134855767 563607601 /nfs/dbraw/zinc/60/76/01/563607601.db2.gz UXGUWECVTJHAOM-UHFFFAOYSA-N 1 2 323.849 3.788 50 0 DHAALO Cc1cc2[nH+]cn(CC(=O)Nc3ccccc3Cl)c2cc1C ZINC000000420269 563611254 /nfs/dbraw/zinc/61/12/54/563611254.db2.gz QZFVPGYYMKWZNU-UHFFFAOYSA-N 1 2 313.788 3.945 50 0 DHAALO C[C@@]1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC1(Cl)Cl ZINC000078797148 563617641 /nfs/dbraw/zinc/61/76/41/563617641.db2.gz KOIKBZDEVHJNMO-ZDUSSCGKSA-N 1 2 310.184 3.599 50 0 DHAALO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 ZINC000044972274 563687592 /nfs/dbraw/zinc/68/75/92/563687592.db2.gz DNBQFVNEKUNQQX-LLVKDONJSA-N 1 2 313.426 3.636 50 0 DHAALO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 ZINC000044972274 563687593 /nfs/dbraw/zinc/68/75/93/563687593.db2.gz DNBQFVNEKUNQQX-LLVKDONJSA-N 1 2 313.426 3.636 50 0 DHAALO C[N@H+](Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000047921756 563692435 /nfs/dbraw/zinc/69/24/35/563692435.db2.gz INNZULOIBUNEDF-UHFFFAOYSA-N 1 2 308.834 3.970 50 0 DHAALO C[N@@H+](Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000047921756 563692438 /nfs/dbraw/zinc/69/24/38/563692438.db2.gz INNZULOIBUNEDF-UHFFFAOYSA-N 1 2 308.834 3.970 50 0 DHAALO Clc1snnc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000048249136 563694340 /nfs/dbraw/zinc/69/43/40/563694340.db2.gz OTPGYELRTLUJLZ-CYBMUJFWSA-N 1 2 307.850 3.789 50 0 DHAALO Clc1snnc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000048249136 563694343 /nfs/dbraw/zinc/69/43/43/563694343.db2.gz OTPGYELRTLUJLZ-CYBMUJFWSA-N 1 2 307.850 3.789 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000215273197 563704203 /nfs/dbraw/zinc/70/42/03/563704203.db2.gz RHVONDIVKDWGOS-QGZVFWFLSA-N 1 2 310.401 3.895 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000215273197 563704207 /nfs/dbraw/zinc/70/42/07/563704207.db2.gz RHVONDIVKDWGOS-QGZVFWFLSA-N 1 2 310.401 3.895 50 0 DHAALO C[C@H](CNC(=O)c1cccc(-c2ccc(F)cc2)c1)n1cc[nH+]c1 ZINC000223624537 563735330 /nfs/dbraw/zinc/73/53/30/563735330.db2.gz PPYBMLIFQFAROP-CQSZACIVSA-N 1 2 323.371 3.680 50 0 DHAALO CCCCc1noc(C[N@H+](CC)Cc2ccc3[nH]ccc3c2)n1 ZINC000241644562 563777270 /nfs/dbraw/zinc/77/72/70/563777270.db2.gz PRTLROPUZAKSMA-UHFFFAOYSA-N 1 2 312.417 3.916 50 0 DHAALO CCCCc1noc(C[N@@H+](CC)Cc2ccc3[nH]ccc3c2)n1 ZINC000241644562 563777274 /nfs/dbraw/zinc/77/72/74/563777274.db2.gz PRTLROPUZAKSMA-UHFFFAOYSA-N 1 2 312.417 3.916 50 0 DHAALO Cc1cc(-c2ccccc2)nc(C[N@@H+]2CCOC3(CCCC3)C2)n1 ZINC000244898837 563779907 /nfs/dbraw/zinc/77/99/07/563779907.db2.gz ZCKMFVVJMIHJJU-UHFFFAOYSA-N 1 2 323.440 3.597 50 0 DHAALO Cc1cc(-c2ccccc2)nc(C[N@H+]2CCOC3(CCCC3)C2)n1 ZINC000244898837 563779908 /nfs/dbraw/zinc/77/99/08/563779908.db2.gz ZCKMFVVJMIHJJU-UHFFFAOYSA-N 1 2 323.440 3.597 50 0 DHAALO COc1ccnc(C[N@H+](C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874647 563779923 /nfs/dbraw/zinc/77/99/23/563779923.db2.gz XEWMTBPUEJFHHS-AWEZNQCLSA-N 1 2 322.412 3.673 50 0 DHAALO COc1ccnc(C[N@@H+](C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874647 563779925 /nfs/dbraw/zinc/77/99/25/563779925.db2.gz XEWMTBPUEJFHHS-AWEZNQCLSA-N 1 2 322.412 3.673 50 0 DHAALO COc1cc[nH+]c(CN(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874647 563779926 /nfs/dbraw/zinc/77/99/26/563779926.db2.gz XEWMTBPUEJFHHS-AWEZNQCLSA-N 1 2 322.412 3.673 50 0 DHAALO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)cc(C)c1Br ZINC000190327358 563781404 /nfs/dbraw/zinc/78/14/04/563781404.db2.gz DUACYQKKRMVPNN-NSHDSACASA-N 1 2 308.223 3.973 50 0 DHAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)C1(c2ccccc2)CC1 ZINC000084028789 563820919 /nfs/dbraw/zinc/82/09/19/563820919.db2.gz VPPIQRXUNYFDOY-UHFFFAOYSA-N 1 2 321.424 3.661 50 0 DHAALO CC(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)c1 ZINC000075092584 563859410 /nfs/dbraw/zinc/85/94/10/563859410.db2.gz ISZWEHJFPYQBLI-IAGOWNOFSA-N 1 2 312.417 3.922 50 0 DHAALO Cc1nnc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)o1 ZINC000052045777 563875019 /nfs/dbraw/zinc/87/50/19/563875019.db2.gz WDSQCJZMPIQHPZ-UHFFFAOYSA-N 1 2 311.307 3.561 50 0 DHAALO Cc1nnc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)o1 ZINC000052045777 563875022 /nfs/dbraw/zinc/87/50/22/563875022.db2.gz WDSQCJZMPIQHPZ-UHFFFAOYSA-N 1 2 311.307 3.561 50 0 DHAALO Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)[nH+]1 ZINC000089530053 563890863 /nfs/dbraw/zinc/89/08/63/563890863.db2.gz FQIZTYCOQDINSQ-UHFFFAOYSA-N 1 2 311.385 3.585 50 0 DHAALO Cc1[nH+]cccc1-n1cccc1C(=O)NCCCc1ccccc1 ZINC000064658862 563891667 /nfs/dbraw/zinc/89/16/67/563891667.db2.gz IOICGKPXFSOVRC-UHFFFAOYSA-N 1 2 319.408 3.543 50 0 DHAALO Cc1cc(N)nc(SCc2ccc(Cl)cc2Cl)[nH+]1 ZINC000007047754 563901545 /nfs/dbraw/zinc/90/15/45/563901545.db2.gz GDVVLQIKOJVFJZ-UHFFFAOYSA-N 1 2 300.214 3.966 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC[C@H](C)C2)cc1C ZINC000017120357 563912694 /nfs/dbraw/zinc/91/26/94/563912694.db2.gz FQUAGGCZMZXORL-ZDUSSCGKSA-N 1 2 321.428 3.669 50 0 DHAALO Cc1cccn2cc(C[S@](=O)[C@@H](C)c3cccs3)[nH+]c12 ZINC000079053184 563930351 /nfs/dbraw/zinc/93/03/51/563930351.db2.gz IWDPCBFQZWROMG-FKIZINRSSA-N 1 2 304.440 3.714 50 0 DHAALO S=C(SCc1cn2cc(Cl)ccc2[nH+]1)N1CCCC1 ZINC000095947479 563932173 /nfs/dbraw/zinc/93/21/73/563932173.db2.gz YJZPEZJPSJWHDN-UHFFFAOYSA-N 1 2 311.863 3.602 50 0 DHAALO COc1ccc(Br)c(NCc2[nH+]ccn2C(C)C)c1 ZINC000095965282 563932697 /nfs/dbraw/zinc/93/26/97/563932697.db2.gz VMXWJSVNEBFIBA-UHFFFAOYSA-N 1 2 324.222 3.847 50 0 DHAALO c1c[nH]c(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)n1 ZINC000095981740 563933848 /nfs/dbraw/zinc/93/38/48/563933848.db2.gz BXHVPGTVEDGWSF-UHFFFAOYSA-N 1 2 304.397 3.636 50 0 DHAALO c1c[nH]c(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)n1 ZINC000095981740 563933850 /nfs/dbraw/zinc/93/38/50/563933850.db2.gz BXHVPGTVEDGWSF-UHFFFAOYSA-N 1 2 304.397 3.636 50 0 DHAALO COC[C@@H]([NH2+][C@H](C)c1ccc(Br)o1)c1ccco1 ZINC000225575395 563938041 /nfs/dbraw/zinc/93/80/41/563938041.db2.gz IGXQGKMEMFCRFN-NXEZZACHSA-N 1 2 314.179 3.673 50 0 DHAALO CCc1nc(C[NH2+]Cc2cccc(NC(=O)C(C)C)c2)cs1 ZINC000067185390 563948697 /nfs/dbraw/zinc/94/86/97/563948697.db2.gz XQJHWWKZGMPTBF-UHFFFAOYSA-N 1 2 317.458 3.590 50 0 DHAALO Fc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000009513527 563956464 /nfs/dbraw/zinc/95/64/64/563956464.db2.gz CAGIYKDFBYSDSN-UHFFFAOYSA-N 1 2 319.343 3.567 50 0 DHAALO Cc1ccccc1-n1ncc2c1nc[nH+]c2N1C[C@@H](C)C[C@H](C)C1 ZINC000009627356 563957122 /nfs/dbraw/zinc/95/71/22/563957122.db2.gz BBLZLLHUPZLXAO-KBPBESRZSA-N 1 2 321.428 3.606 50 0 DHAALO Cc1ccc2[nH+]c(CSc3ccc4c(c3)OCCO4)cn2c1 ZINC000009911451 563957930 /nfs/dbraw/zinc/95/79/30/563957930.db2.gz DYMLXZMEHLHCAV-UHFFFAOYSA-N 1 2 312.394 3.706 50 0 DHAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCc3sccc3C2)c(C)c1 ZINC000010341092 563958551 /nfs/dbraw/zinc/95/85/51/563958551.db2.gz FGCVHQUFZZCYGB-UHFFFAOYSA-N 1 2 314.454 3.670 50 0 DHAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCc3sccc3C2)c(C)c1 ZINC000010341092 563958552 /nfs/dbraw/zinc/95/85/52/563958552.db2.gz FGCVHQUFZZCYGB-UHFFFAOYSA-N 1 2 314.454 3.670 50 0 DHAALO Cc1cc(C)nc(C[N@H+](C)Cc2cnn(-c3ccccc3F)c2)c1 ZINC000952989315 1032686967 /nfs/dbraw/zinc/68/69/67/1032686967.db2.gz CQPGKLZGALUCIX-UHFFFAOYSA-N 1 2 324.403 3.655 50 0 DHAALO Cc1cc(C)nc(C[N@@H+](C)Cc2cnn(-c3ccccc3F)c2)c1 ZINC000952989315 1032686979 /nfs/dbraw/zinc/68/69/79/1032686979.db2.gz CQPGKLZGALUCIX-UHFFFAOYSA-N 1 2 324.403 3.655 50 0 DHAALO COc1ccc([C@H]2C[C@H](n3cc[nH+]c3)ON2c2ccccc2)cc1 ZINC000039414198 1018618147 /nfs/dbraw/zinc/61/81/47/1018618147.db2.gz AFTAGWUIMKVNOV-RTBURBONSA-N 1 2 321.380 3.974 50 0 DHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000095522446 185377490 /nfs/dbraw/zinc/37/74/90/185377490.db2.gz NVBVBLGIRGVBPK-UHFFFAOYSA-N 1 2 317.477 3.970 50 0 DHAALO O=C(Nc1cccc(-c2c[nH+]c3n2CCC3)c1)[C@H]1CC=CCC1 ZINC000090607222 185306469 /nfs/dbraw/zinc/30/64/69/185306469.db2.gz POYMGYQWAWSGQG-AWEZNQCLSA-N 1 2 307.397 3.791 50 0 DHAALO COc1ccccc1-c1[nH+]ccn1CCCc1c(C)n[nH]c1C ZINC000082125257 192359523 /nfs/dbraw/zinc/35/95/23/192359523.db2.gz SHDIZDCDBOKCLK-UHFFFAOYSA-N 1 2 310.401 3.531 50 0 DHAALO FC(F)(F)c1cc[nH+]c(N2CCC(Nc3cccnc3)CC2)c1 ZINC000095408584 185356719 /nfs/dbraw/zinc/35/67/19/185356719.db2.gz VCWBSAUFKSKURY-UHFFFAOYSA-N 1 2 322.334 3.576 50 0 DHAALO CC(C)(C)n1cc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000095428757 185362182 /nfs/dbraw/zinc/36/21/82/185362182.db2.gz OMQDAUULDQLHLN-UHFFFAOYSA-N 1 2 313.380 3.575 50 0 DHAALO Cc1nc(-c2cccc(NCc3c[nH+]c4cc(C)ccn34)c2)no1 ZINC000095428748 185362230 /nfs/dbraw/zinc/36/22/30/185362230.db2.gz PGOBJVMJYSCVTG-UHFFFAOYSA-N 1 2 319.368 3.613 50 0 DHAALO Cc1nnc([C@H]([NH2+][C@H]2CCc3ccc(C)cc32)c2ccccc2)[nH]1 ZINC000095421733 185360630 /nfs/dbraw/zinc/36/06/30/185360630.db2.gz AMSPZROQRILBRP-RBUKOAKNSA-N 1 2 318.424 3.788 50 0 DHAALO CCOc1ccc(-c2[nH+]ccn2[C@@H](C)c2csc(C)n2)cn1 ZINC000071721405 191013084 /nfs/dbraw/zinc/01/30/84/191013084.db2.gz PPXYQYHJBVNIBI-NSHDSACASA-N 1 2 314.414 3.718 50 0 DHAALO c1cnn(-c2ccc(-c3[nH+]ccn3CCc3ccco3)cc2)c1 ZINC000071764796 191027092 /nfs/dbraw/zinc/02/70/92/191027092.db2.gz DSNLEFOKDHSZQI-UHFFFAOYSA-N 1 2 304.353 3.572 50 0 DHAALO Cc1nc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc[nH+]1 ZINC000071764843 191028056 /nfs/dbraw/zinc/02/80/56/191028056.db2.gz OZUVREOZKLBDGL-CQSZACIVSA-N 1 2 324.211 3.670 50 0 DHAALO Cc1ccc(-c2[nH+]ccn2[C@@H](C)c2ccncn2)c2cccnc12 ZINC000072148802 191054897 /nfs/dbraw/zinc/05/48/97/191054897.db2.gz INDJXDYHQYHZGT-AWEZNQCLSA-N 1 2 315.380 3.806 50 0 DHAALO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1OC ZINC000072281405 191100931 /nfs/dbraw/zinc/10/09/31/191100931.db2.gz VBJCLMFNRHYJPY-RYUDHWBXSA-N 1 2 319.405 3.587 50 0 DHAALO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(F)c1 ZINC000003323135 181005585 /nfs/dbraw/zinc/00/55/85/181005585.db2.gz FFINMHVHKNEZQP-UHFFFAOYSA-N 1 2 306.768 3.550 50 0 DHAALO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(F)c1 ZINC000003323135 181005586 /nfs/dbraw/zinc/00/55/86/181005586.db2.gz FFINMHVHKNEZQP-UHFFFAOYSA-N 1 2 306.768 3.550 50 0 DHAALO CCc1[nH+]cc([C@@](O)(c2ccccc2)c2ccc(C)cc2)n1C ZINC000004018997 181062800 /nfs/dbraw/zinc/06/28/00/181062800.db2.gz AOHUBYPOVXLHCZ-HXUWFJFHSA-N 1 2 306.409 3.575 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1CC ZINC000005267695 181224547 /nfs/dbraw/zinc/22/45/47/181224547.db2.gz KPCGWXZLEYYMEG-UHFFFAOYSA-N 1 2 307.397 3.800 50 0 DHAALO CCOc1ccc(-c2nn(C[NH+]3CCCCC3)c(=S)o2)cc1 ZINC000005478542 181248053 /nfs/dbraw/zinc/24/80/53/181248053.db2.gz QHEDBMIKKSYWFA-UHFFFAOYSA-N 1 2 319.430 3.715 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1F ZINC000005628012 181265242 /nfs/dbraw/zinc/26/52/42/181265242.db2.gz ICXKCICIDKGKGD-UHFFFAOYSA-N 1 2 317.751 3.776 50 0 DHAALO CCc1ccc([C@H](C)NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000005627655 181265299 /nfs/dbraw/zinc/26/52/99/181265299.db2.gz BFORTRWJPUIVOG-AWEZNQCLSA-N 1 2 321.424 3.785 50 0 DHAALO COC(=O)c1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)o1 ZINC000081604369 192300334 /nfs/dbraw/zinc/30/03/34/192300334.db2.gz BNUVLQHYESOOCS-CQSZACIVSA-N 1 2 305.761 3.667 50 0 DHAALO COC(=O)c1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)o1 ZINC000081604369 192300338 /nfs/dbraw/zinc/30/03/38/192300338.db2.gz BNUVLQHYESOOCS-CQSZACIVSA-N 1 2 305.761 3.667 50 0 DHAALO Clc1ccc(OCCCn2cc[nH+]c2)c(Br)c1 ZINC000006414170 181338696 /nfs/dbraw/zinc/33/86/96/181338696.db2.gz AFIITDAYJSUKLN-UHFFFAOYSA-N 1 2 315.598 3.768 50 0 DHAALO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000006558175 181354904 /nfs/dbraw/zinc/35/49/04/181354904.db2.gz FCQAUICRQVQWCU-UHFFFAOYSA-N 1 2 314.816 3.645 50 0 DHAALO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000006558175 181354906 /nfs/dbraw/zinc/35/49/06/181354906.db2.gz FCQAUICRQVQWCU-UHFFFAOYSA-N 1 2 314.816 3.645 50 0 DHAALO Cc1[nH+]c2ccccc2n1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000006719409 181376941 /nfs/dbraw/zinc/37/69/41/181376941.db2.gz ZTUFTTBCINEELZ-UHFFFAOYSA-N 1 2 304.353 3.751 50 0 DHAALO Cc1cc(C)cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000012601496 181781983 /nfs/dbraw/zinc/78/19/83/181781983.db2.gz NZHKSCJYSQVSAB-GOSISDBHSA-N 1 2 319.408 3.556 50 0 DHAALO Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000016903123 182063537 /nfs/dbraw/zinc/06/35/37/182063537.db2.gz PABKJZXJDDAJLH-INIZCTEOSA-N 1 2 322.408 3.662 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCC2)cc1C ZINC000017120378 182076407 /nfs/dbraw/zinc/07/64/07/182076407.db2.gz LNYRLELPQBAELT-UHFFFAOYSA-N 1 2 307.401 3.787 50 0 DHAALO CCCCNc1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017270436 182080746 /nfs/dbraw/zinc/08/07/46/182080746.db2.gz QPTGNYFEMIECSU-UHFFFAOYSA-N 1 2 315.808 3.989 50 0 DHAALO C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048192 182090323 /nfs/dbraw/zinc/09/03/23/182090323.db2.gz YZFDRAAZCQTFAN-CYBMUJFWSA-N 1 2 309.344 3.502 50 0 DHAALO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1Cl)CC2 ZINC000019537586 182129368 /nfs/dbraw/zinc/12/93/68/182129368.db2.gz WJIRHUATTMPDPE-UHFFFAOYSA-N 1 2 317.816 3.916 50 0 biogenic DHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1Cl)CC2 ZINC000019537586 182129370 /nfs/dbraw/zinc/12/93/70/182129370.db2.gz WJIRHUATTMPDPE-UHFFFAOYSA-N 1 2 317.816 3.916 50 0 biogenic DHAALO CCc1ccc(CN2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000019788327 182149409 /nfs/dbraw/zinc/14/94/09/182149409.db2.gz ZUIVCYPWEZROSZ-UHFFFAOYSA-N 1 2 324.468 3.575 50 0 DHAALO C[C@H]1c2ccccc2OC(c2ccccc2)=C1C[NH+]1CCOCC1 ZINC000019855212 182157477 /nfs/dbraw/zinc/15/74/77/182157477.db2.gz APVZLLGXOUFZNY-INIZCTEOSA-N 1 2 321.420 3.926 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCC(C)C)cc1Cl ZINC000020662130 182242073 /nfs/dbraw/zinc/24/20/73/182242073.db2.gz KUJIJLQKXBXXFP-UHFFFAOYSA-N 1 2 315.808 3.845 50 0 DHAALO c1sc(-c2ccccn2)nc1C[N@@H+]1CCc2ccccc2C1 ZINC000022910439 182340300 /nfs/dbraw/zinc/34/03/00/182340300.db2.gz AQBNJBLLYZDESD-UHFFFAOYSA-N 1 2 307.422 3.763 50 0 DHAALO c1sc(-c2ccccn2)nc1C[N@H+]1CCc2ccccc2C1 ZINC000022910439 182340302 /nfs/dbraw/zinc/34/03/02/182340302.db2.gz AQBNJBLLYZDESD-UHFFFAOYSA-N 1 2 307.422 3.763 50 0 DHAALO CCc1ccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000024193271 182376580 /nfs/dbraw/zinc/37/65/80/182376580.db2.gz BETGISFHOCTYMF-UHFFFAOYSA-N 1 2 319.408 3.857 50 0 DHAALO CCc1ccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000024193271 182376582 /nfs/dbraw/zinc/37/65/82/182376582.db2.gz BETGISFHOCTYMF-UHFFFAOYSA-N 1 2 319.408 3.857 50 0 DHAALO C[N@H+](Cc1nc(Cc2ccccc2)no1)[C@@H]1CCc2ccccc21 ZINC000040153524 183040588 /nfs/dbraw/zinc/04/05/88/183040588.db2.gz XVZUDRUGBJEOBK-GOSISDBHSA-N 1 2 319.408 3.780 50 0 DHAALO C[N@@H+](Cc1nc(Cc2ccccc2)no1)[C@@H]1CCc2ccccc21 ZINC000040153524 183040590 /nfs/dbraw/zinc/04/05/90/183040590.db2.gz XVZUDRUGBJEOBK-GOSISDBHSA-N 1 2 319.408 3.780 50 0 DHAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000040086375 183032216 /nfs/dbraw/zinc/03/22/16/183032216.db2.gz VIGYAPNSNSAVCR-GFCCVEGCSA-N 1 2 305.447 3.938 50 0 DHAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000040086375 183032218 /nfs/dbraw/zinc/03/22/18/183032218.db2.gz VIGYAPNSNSAVCR-GFCCVEGCSA-N 1 2 305.447 3.938 50 0 DHAALO Clc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1 ZINC000065239592 184316957 /nfs/dbraw/zinc/31/69/57/184316957.db2.gz IWCSONPXFZNVBT-UHFFFAOYSA-N 1 2 323.743 3.638 50 0 DHAALO CN(Cc1ccc(-c2ccccc2Cl)o1)Cc1[nH]cc[nH+]1 ZINC000065382960 184332593 /nfs/dbraw/zinc/33/25/93/184332593.db2.gz OWTYAWALBSBKPK-UHFFFAOYSA-N 1 2 301.777 3.955 50 0 DHAALO CC(C)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000065548513 184364124 /nfs/dbraw/zinc/36/41/24/184364124.db2.gz WGCRXAUYJGXABS-UHFFFAOYSA-N 1 2 312.417 3.876 50 0 DHAALO FC(F)(F)Oc1ccccc1NCc1c[nH+]c2ccccn12 ZINC000158388946 197268729 /nfs/dbraw/zinc/26/87/29/197268729.db2.gz KGSXGXXYICJLLV-UHFFFAOYSA-N 1 2 307.275 3.845 50 0 DHAALO CN(C)c1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(F)c1 ZINC000120654969 256586094 /nfs/dbraw/zinc/58/60/94/256586094.db2.gz DIQKKYOGRBKPAM-UHFFFAOYSA-N 1 2 324.359 3.534 50 0 DHAALO Cn1cncc1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000177237444 256590024 /nfs/dbraw/zinc/59/00/24/256590024.db2.gz VZVKLYAMKQZLIL-MRXNPFEDSA-N 1 2 315.467 3.691 50 0 DHAALO Cn1cncc1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000177237444 256590026 /nfs/dbraw/zinc/59/00/26/256590026.db2.gz VZVKLYAMKQZLIL-MRXNPFEDSA-N 1 2 315.467 3.691 50 0 DHAALO Cc1[nH]c2c([nH+]1)CCN(C(=O)NCCC1CCCCCCC1)C2 ZINC000426740537 257243790 /nfs/dbraw/zinc/24/37/90/257243790.db2.gz NMXVTJYWOGJFAG-UHFFFAOYSA-N 1 2 318.465 3.536 50 0 DHAALO Cc1[nH]c2c([nH+]1)CN(C(=O)NCCC1CCCCCCC1)CC2 ZINC000426740537 257243792 /nfs/dbraw/zinc/24/37/92/257243792.db2.gz NMXVTJYWOGJFAG-UHFFFAOYSA-N 1 2 318.465 3.536 50 0 DHAALO CCOC(=O)/C(=C/c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000252494466 257258371 /nfs/dbraw/zinc/25/83/71/257258371.db2.gz NWPVQNHSQVAJHR-QPEQYQDCSA-N 1 2 311.168 3.751 50 0 DHAALO Cc1ccc(N2CC[NH+](CC(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000067206487 134833380 /nfs/dbraw/zinc/83/33/80/134833380.db2.gz KKYZTPDOIGXCLC-UHFFFAOYSA-N 1 2 322.452 3.617 50 0 DHAALO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nnc(C)s3)oc21 ZINC000356857175 336563313 /nfs/dbraw/zinc/56/33/13/336563313.db2.gz WSRLMLGUBMIJQC-SNVBAGLBSA-N 1 2 317.414 3.842 50 0 DHAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1CCCO1 ZINC000155611632 337383350 /nfs/dbraw/zinc/38/33/50/337383350.db2.gz NBWYQAVPPGVYRS-HNNXBMFYSA-N 1 2 318.760 3.645 50 0 DHAALO OCC[C@H]([NH2+]Cc1ncccc1Cl)c1ccc(Cl)cc1 ZINC000528505607 340721838 /nfs/dbraw/zinc/72/18/38/340721838.db2.gz RUHOAUCILRZCDC-AWEZNQCLSA-N 1 2 311.212 3.602 50 0 DHAALO CCCN(CCC)C(=O)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000078551774 563961197 /nfs/dbraw/zinc/96/11/97/563961197.db2.gz LOTIFUVHBGBGCF-UHFFFAOYSA-N 1 2 314.832 3.560 50 0 DHAALO CCCN(CCC)C(=O)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000078551774 563961198 /nfs/dbraw/zinc/96/11/98/563961198.db2.gz LOTIFUVHBGBGCF-UHFFFAOYSA-N 1 2 314.832 3.560 50 0 DHAALO Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000014116081 563396406 /nfs/dbraw/zinc/39/64/06/563396406.db2.gz ZWKQTZPLWIMUTF-ZDUSSCGKSA-N 1 2 314.351 3.516 50 0 DHAALO CCc1cc(C)cc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000242889 563232819 /nfs/dbraw/zinc/23/28/19/563232819.db2.gz NRBZNDRFVRDPIW-KRWDZBQOSA-N 1 2 324.424 3.655 50 0 DHAALO COc1ccc(-c2csc(N[NH+]=C3CCCCCN3)n2)cc1 ZINC000000263540 563234925 /nfs/dbraw/zinc/23/49/25/563234925.db2.gz PBBWYCAMPRXCHF-UHFFFAOYSA-N 1 2 316.430 3.708 50 0 DHAALO CC(C)CNc1[nH+]cnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000000522177 563264070 /nfs/dbraw/zinc/26/40/70/563264070.db2.gz OHGUBBOEMZYNSQ-UHFFFAOYSA-N 1 2 315.808 3.596 50 0 DHAALO OCCCc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl ZINC000002666062 563311033 /nfs/dbraw/zinc/31/10/33/563311033.db2.gz VLSCBDFRMSQISZ-UHFFFAOYSA-N 1 2 318.779 3.802 50 0 DHAALO C[C@@H](OCC1CC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000071899771 563326448 /nfs/dbraw/zinc/32/64/48/563326448.db2.gz RRIRDLBMZDSEEP-CYBMUJFWSA-N 1 2 312.369 3.628 50 0 DHAALO Cc1ccc(NC(=O)COc2cccc(Cl)c2C)c(C)[nH+]1 ZINC000119080972 563347097 /nfs/dbraw/zinc/34/70/97/563347097.db2.gz OLFQDESXSLUFMN-UHFFFAOYSA-N 1 2 304.777 3.678 50 0 DHAALO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000011818891 563359770 /nfs/dbraw/zinc/35/97/70/563359770.db2.gz YNRRRCANZWHODV-INIZCTEOSA-N 1 2 319.408 3.658 50 0 DHAALO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000011818891 563359773 /nfs/dbraw/zinc/35/97/73/563359773.db2.gz YNRRRCANZWHODV-INIZCTEOSA-N 1 2 319.408 3.658 50 0 DHAALO CCN(CC)c1[nH+]cccc1CNC(=O)c1cccc(Cl)c1 ZINC000011950691 563360977 /nfs/dbraw/zinc/36/09/77/563360977.db2.gz SMPCOAXFQMBGRT-UHFFFAOYSA-N 1 2 317.820 3.511 50 0 DHAALO C[C@@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)Cc1ccccc1Cl ZINC000013075442 563377635 /nfs/dbraw/zinc/37/76/35/563377635.db2.gz RYQBKZWLIYAIJP-LBPRGKRZSA-N 1 2 320.795 3.938 50 0 DHAALO C[C@@H](C(=O)Nc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1Cl ZINC000013075442 563377636 /nfs/dbraw/zinc/37/76/36/563377636.db2.gz RYQBKZWLIYAIJP-LBPRGKRZSA-N 1 2 320.795 3.938 50 0 DHAALO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000014116081 563396404 /nfs/dbraw/zinc/39/64/04/563396404.db2.gz ZWKQTZPLWIMUTF-ZDUSSCGKSA-N 1 2 314.351 3.516 50 0 DHAALO 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ZINC000058140460 563943777 /nfs/dbraw/zinc/94/37/77/563943777.db2.gz BBQRVNLGANCMLJ-INIZCTEOSA-N 1 2 318.323 3.680 50 0 DHAALO Fc1ccc([C@@H]([NH2+]Cc2nnc(C3CC3)o2)C2CCC2)cc1 ZINC000069949370 563955379 /nfs/dbraw/zinc/95/53/79/563955379.db2.gz HUNZPHLEHORYDO-INIZCTEOSA-N 1 2 301.365 3.717 50 0 DHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cnn(C)c3)co2)cc1 ZINC000071799295 563958854 /nfs/dbraw/zinc/95/88/54/563958854.db2.gz CTTKIBUPRMRZRI-GOSISDBHSA-N 1 2 322.412 3.721 50 0 DHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cnn(C)c3)co2)cc1 ZINC000071799295 563958855 /nfs/dbraw/zinc/95/88/55/563958855.db2.gz CTTKIBUPRMRZRI-GOSISDBHSA-N 1 2 322.412 3.721 50 0 DHAALO Cc1ccc(-c2ccc(C(=O)NCc3c[nH+]cn3C3CC3)cc2)o1 ZINC000952981530 1032683218 /nfs/dbraw/zinc/68/32/18/1032683218.db2.gz XWPOTQQSKFNADG-UHFFFAOYSA-N 1 2 321.380 3.716 50 0 DHAALO Clc1ccc(-c2cc(C[N@@H+]3CCOCC34CCC4)on2)cc1 ZINC000135501952 1021567386 /nfs/dbraw/zinc/56/73/86/1021567386.db2.gz LVRMFVJGJZRSCI-UHFFFAOYSA-N 1 2 318.804 3.750 50 0 DHAALO Clc1ccc(-c2cc(C[N@H+]3CCOCC34CCC4)on2)cc1 ZINC000135501952 1021567396 /nfs/dbraw/zinc/56/73/96/1021567396.db2.gz LVRMFVJGJZRSCI-UHFFFAOYSA-N 1 2 318.804 3.750 50 0 DHAALO c1sc(-c2ncccn2)nc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000051403263 1024007829 /nfs/dbraw/zinc/00/78/29/1024007829.db2.gz XLQDFVNKTJQVCB-UHFFFAOYSA-N 1 2 322.437 3.765 50 0 DHAALO c1sc(-c2ncccn2)nc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000051403263 1024007846 /nfs/dbraw/zinc/00/78/46/1024007846.db2.gz XLQDFVNKTJQVCB-UHFFFAOYSA-N 1 2 322.437 3.765 50 0 DHAALO CN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000008342122 1028102099 /nfs/dbraw/zinc/10/20/99/1028102099.db2.gz DPZYXXHMEHSHJW-FMIVXFBMSA-N 1 2 303.365 3.549 50 0 DHAALO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cn1 ZINC000092738930 185337724 /nfs/dbraw/zinc/33/77/24/185337724.db2.gz SIXDKNCJHPEEEN-CYBMUJFWSA-N 1 2 315.392 3.788 50 0 DHAALO Cc1nnc([C@H]([NH2+][C@H]2CCCc3sccc32)c2ccccc2)[nH]1 ZINC000095421728 185360962 /nfs/dbraw/zinc/36/09/62/185360962.db2.gz 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CCn1ncnc1C[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000225616784 186283675 /nfs/dbraw/zinc/28/36/75/186283675.db2.gz FPPMRYXCFMYKRY-HXUWFJFHSA-N 1 2 320.440 3.794 50 0 DHAALO c1cn(-c2ccc(Nc3ccccc3)nc2)c([C@H]2CCOC2)[nH+]1 ZINC000072411022 191154372 /nfs/dbraw/zinc/15/43/72/191154372.db2.gz LHPYICLYYRXIIA-AWEZNQCLSA-N 1 2 306.369 3.515 50 0 DHAALO CCc1ccc(NC(=O)CCn2cc[nH+]c2-c2ccoc2)cc1 ZINC000072429501 191162221 /nfs/dbraw/zinc/16/22/21/191162221.db2.gz LBVNVDYZCVMBPN-UHFFFAOYSA-N 1 2 309.369 3.734 50 0 DHAALO C(=C/c1ccccn1)\c1cccc(-n2cc[nH+]c2[C@H]2CCOC2)c1 ZINC000072435727 191166606 /nfs/dbraw/zinc/16/66/06/191166606.db2.gz YYGCUBKDBBXHHP-OZSKJFCKSA-N 1 2 317.392 3.942 50 0 DHAALO Cc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc[nH+]1 ZINC000072448385 191170426 /nfs/dbraw/zinc/17/04/26/191170426.db2.gz WYCYVANHNHBOAG-AWEZNQCLSA-N 1 2 324.211 3.670 50 0 DHAALO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2ccccc2Br)C1 ZINC000003356251 181011208 /nfs/dbraw/zinc/01/12/08/181011208.db2.gz GUZIGOXEYHEGPJ-RYUDHWBXSA-N 1 2 310.235 3.610 50 0 DHAALO CCc1ccc([C@@H](C)NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000005627653 181265130 /nfs/dbraw/zinc/26/51/30/181265130.db2.gz BFORTRWJPUIVOG-CQSZACIVSA-N 1 2 321.424 3.785 50 0 DHAALO Cc1ccc2[nH+]c(CSc3ncnc4sccc43)cn2c1 ZINC000005902745 181294620 /nfs/dbraw/zinc/29/46/20/181294620.db2.gz JNTYSSLXPXTQHN-UHFFFAOYSA-N 1 2 312.423 3.940 50 0 DHAALO O[C@H]1C[N@H+](Cc2cc(C3CCCCC3)no2)Cc2ccccc21 ZINC000091526429 193069976 /nfs/dbraw/zinc/06/99/76/193069976.db2.gz OXRAWWZDTVUWRN-IBGZPJMESA-N 1 2 312.413 3.772 50 0 DHAALO O[C@H]1C[N@@H+](Cc2cc(C3CCCCC3)no2)Cc2ccccc21 ZINC000091526429 193069978 /nfs/dbraw/zinc/06/99/78/193069978.db2.gz OXRAWWZDTVUWRN-IBGZPJMESA-N 1 2 312.413 3.772 50 0 DHAALO Cc1c(C2N3CC4(C)C[NH+]2CC(C)(C3)C4)c2ccccc2n1C ZINC000019325105 182115821 /nfs/dbraw/zinc/11/58/21/182115821.db2.gz SIKIARAOHBVFIF-UHFFFAOYSA-N 1 2 309.457 3.533 50 0 DHAALO CN1CCC[NH2+][C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000019324405 182115991 /nfs/dbraw/zinc/11/59/91/182115991.db2.gz SROPGFFLPSJEKT-HNNXBMFYSA-N 1 2 321.218 3.633 50 0 DHAALO Fc1cccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019536972 182129545 /nfs/dbraw/zinc/12/95/45/182129545.db2.gz OVBRPLFRBHHIEZ-WEVVVXLNSA-N 1 2 310.416 3.657 50 0 DHAALO Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000020207935 182197447 /nfs/dbraw/zinc/19/74/47/182197447.db2.gz GUUVRTSUOXBHKU-UHFFFAOYSA-N 1 2 317.776 3.923 50 0 DHAALO Cc1ccc(C[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000020207935 182197449 /nfs/dbraw/zinc/19/74/49/182197449.db2.gz GUUVRTSUOXBHKU-UHFFFAOYSA-N 1 2 317.776 3.923 50 0 DHAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCc2sccc2C1 ZINC000021418566 182273903 /nfs/dbraw/zinc/27/39/03/182273903.db2.gz YFAHLVRKSXAGKY-UHFFFAOYSA-N 1 2 301.411 3.518 50 0 DHAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCc2sccc2C1 ZINC000021418566 182273904 /nfs/dbraw/zinc/27/39/04/182273904.db2.gz YFAHLVRKSXAGKY-UHFFFAOYSA-N 1 2 301.411 3.518 50 0 DHAALO COc1ccc(CCNc2ccc3ccccc3[nH+]2)cc1OC ZINC000022077514 182308698 /nfs/dbraw/zinc/30/86/98/182308698.db2.gz VXOMLKRZIBGXFK-UHFFFAOYSA-N 1 2 308.381 3.907 50 0 DHAALO Clc1cc(C[N@@H+]2CCc3sccc3C2)c2c(c1)COCO2 ZINC000022549639 182326621 /nfs/dbraw/zinc/32/66/21/182326621.db2.gz UIYXDXHDBYOSPD-UHFFFAOYSA-N 1 2 321.829 3.826 50 0 DHAALO Clc1cc(C[N@H+]2CCc3sccc3C2)c2c(c1)COCO2 ZINC000022549639 182326623 /nfs/dbraw/zinc/32/66/23/182326623.db2.gz UIYXDXHDBYOSPD-UHFFFAOYSA-N 1 2 321.829 3.826 50 0 DHAALO Cc1[nH]c([C@@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1cccc(Cl)c1 ZINC000023251311 182354834 /nfs/dbraw/zinc/35/48/34/182354834.db2.gz XPIVHZGUGQNCIJ-CYBMUJFWSA-N 1 2 317.820 3.763 50 0 DHAALO CCCCNc1[nH+]cnc2c1cnn2-c1ccccc1Cl ZINC000032620477 182651281 /nfs/dbraw/zinc/65/12/81/182651281.db2.gz IEELHIWYODCGPU-UHFFFAOYSA-N 1 2 301.781 3.681 50 0 DHAALO CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000038834373 183011215 /nfs/dbraw/zinc/01/12/15/183011215.db2.gz LJXDFKHPZBICJO-UHFFFAOYSA-N 1 2 321.380 3.582 50 0 DHAALO c1ccc2c(c1)[nH+]c(NC[C@H]1CCCO1)nc2NC1CCCC1 ZINC000041152427 183178867 /nfs/dbraw/zinc/17/88/67/183178867.db2.gz XDTQKNPYGAXAKM-CQSZACIVSA-N 1 2 312.417 3.575 50 0 DHAALO Cc1ccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000058033831 184069815 /nfs/dbraw/zinc/06/98/15/184069815.db2.gz BACFYFFBWNDZSV-UHFFFAOYSA-N 1 2 320.396 3.777 50 0 DHAALO Cc1cc(NCc2ccc(-n3ccnc3)nc2)[nH+]c2ccccc12 ZINC000058316703 184104974 /nfs/dbraw/zinc/10/49/74/184104974.db2.gz CQLZQANGUWACMJ-UHFFFAOYSA-N 1 2 315.380 3.736 50 0 DHAALO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C23CCCCC3)s1 ZINC000065293148 184324055 /nfs/dbraw/zinc/32/40/55/184324055.db2.gz CBLZTKVTWOQOAK-UHFFFAOYSA-N 1 2 315.442 3.638 50 0 biogenic DHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(C)nc2C)c1 ZINC000157266680 197175243 /nfs/dbraw/zinc/17/52/43/197175243.db2.gz HDMAVTGVRVJSGB-UHFFFAOYSA-N 1 2 320.396 3.834 50 0 DHAALO Cc1c(NC(=O)c2ccc3[nH+]ccn3c2)onc1C1CCCCC1 ZINC000297840121 132036818 /nfs/dbraw/zinc/03/68/18/132036818.db2.gz RGHPBXOIZXMQCB-UHFFFAOYSA-N 1 2 324.384 3.931 50 0 DHAALO Fc1cccc(F)c1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055291985 134776220 /nfs/dbraw/zinc/77/62/20/134776220.db2.gz QFRIYVUUUOBUOY-UHFFFAOYSA-N 1 2 322.786 3.940 50 0 DHAALO COc1cccc2c1cc[nH+]c2N1CCC(c2c[nH]nc2C)CC1 ZINC000569435743 332081959 /nfs/dbraw/zinc/08/19/59/332081959.db2.gz UPKUKGWUXYNQHU-UHFFFAOYSA-N 1 2 322.412 3.659 50 0 DHAALO C[C@@H]1C[N@@H+](Cc2cnoc2-c2ccc(Cl)s2)C[C@H](C)O1 ZINC000095972302 563933442 /nfs/dbraw/zinc/93/34/42/563933442.db2.gz WRUXZCMXJFULLL-AOOOYVTPSA-N 1 2 312.822 3.666 50 0 DHAALO C[C@@H]1C[N@H+](Cc2cnoc2-c2ccc(Cl)s2)C[C@H](C)O1 ZINC000095972302 563933443 /nfs/dbraw/zinc/93/34/43/563933443.db2.gz WRUXZCMXJFULLL-AOOOYVTPSA-N 1 2 312.822 3.666 50 0 DHAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000008708293 563949974 /nfs/dbraw/zinc/94/99/74/563949974.db2.gz CSCLUSLUKQRWDD-ZDUSSCGKSA-N 1 2 314.351 3.516 50 0 DHAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000008708293 563949976 /nfs/dbraw/zinc/94/99/76/563949976.db2.gz CSCLUSLUKQRWDD-ZDUSSCGKSA-N 1 2 314.351 3.516 50 0 DHAALO Clc1cccc(Cl)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004988786 563328145 /nfs/dbraw/zinc/32/81/45/563328145.db2.gz DWJLBHIIBNJDGM-UHFFFAOYSA-N 1 2 322.239 3.711 50 0 DHAALO C[C@H](CC1CCCCC1)C(=O)NCCc1[nH+]ccn1C(F)F ZINC000071907597 563332663 /nfs/dbraw/zinc/33/26/63/563332663.db2.gz XBFJAMISGIXTCO-GFCCVEGCSA-N 1 2 313.392 3.543 50 0 DHAALO C[C@@H]1SCC[N@H+](Cc2nc(C3CC3)no2)[C@@H]1c1ccccc1 ZINC000071911159 563333134 /nfs/dbraw/zinc/33/31/34/563333134.db2.gz KNMAFRRAMVBWNN-LRDDRELGSA-N 1 2 315.442 3.626 50 0 DHAALO C[C@@H]1SCC[N@@H+](Cc2nc(C3CC3)no2)[C@@H]1c1ccccc1 ZINC000071911159 563333137 /nfs/dbraw/zinc/33/31/37/563333137.db2.gz KNMAFRRAMVBWNN-LRDDRELGSA-N 1 2 315.442 3.626 50 0 DHAALO O=C(C[NH+]1CCCCCC1)Nc1cccc(Cl)c1Cl ZINC000013061898 563377442 /nfs/dbraw/zinc/37/74/42/563377442.db2.gz SZDNXBGHGABXTH-UHFFFAOYSA-N 1 2 301.217 3.808 50 0 DHAALO Cc1cccc2[nH+]c(CSc3nncn3-c3ccccc3)cn21 ZINC000013116096 563378322 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Nc1ncccc1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000077517037 563511915 /nfs/dbraw/zinc/51/19/15/563511915.db2.gz DWQWLLRNLYGVAN-AWEZNQCLSA-N 1 2 310.426 3.611 50 0 DHAALO C[NH+](C)CN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000085406298 563520731 /nfs/dbraw/zinc/52/07/31/563520731.db2.gz RTTFCVNTFPKFHC-GXDHUFHOSA-N 1 2 318.442 3.540 50 0 DHAALO CC(C)c1nc(C[N@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)co1 ZINC000097370446 563538823 /nfs/dbraw/zinc/53/88/23/563538823.db2.gz YFIBSUWDKKYTJE-CYBMUJFWSA-N 1 2 316.401 3.762 50 0 DHAALO CC(C)c1nc(C[N@@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)co1 ZINC000097370446 563538827 /nfs/dbraw/zinc/53/88/27/563538827.db2.gz YFIBSUWDKKYTJE-CYBMUJFWSA-N 1 2 316.401 3.762 50 0 DHAALO CC(=O)c1cc(C[N@@H+](C)Cc2cnc3ccccc3n2)cs1 ZINC000097499701 563539704 /nfs/dbraw/zinc/53/97/04/563539704.db2.gz DYJAQQYSMVUJOL-UHFFFAOYSA-N 1 2 311.410 3.526 50 0 DHAALO CC(=O)c1cc(C[N@H+](C)Cc2cnc3ccccc3n2)cs1 ZINC000097499701 563539706 /nfs/dbraw/zinc/53/97/06/563539706.db2.gz 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ZINC000089496663 563887979 /nfs/dbraw/zinc/88/79/79/563887979.db2.gz IBLSBRWYZOBDBE-AWEZNQCLSA-N 1 2 317.483 3.912 50 0 DHAALO Cc1cccc(C(=O)N2CCC(CCOc3cc[nH+]cc3)CC2)c1 ZINC000065181031 563900578 /nfs/dbraw/zinc/90/05/78/563900578.db2.gz NDNLICSINKYJJY-UHFFFAOYSA-N 1 2 324.424 3.711 50 0 DHAALO CC[C@H]1CN(c2ccccc2)CCN1c1cc[nH+]c(C(C)C)n1 ZINC000170596005 563907056 /nfs/dbraw/zinc/90/70/56/563907056.db2.gz XVHNECZRQZOVPV-INIZCTEOSA-N 1 2 310.445 3.705 50 0 DHAALO Cc1cccc(C[N@@H+]2CCN(c3ccccc3C)C(=O)[C@H]2C)c1 ZINC000037520194 563918372 /nfs/dbraw/zinc/91/83/72/563918372.db2.gz QLVASBLUASYGQU-QGZVFWFLSA-N 1 2 308.425 3.541 50 0 DHAALO Cc1cccc(C[N@H+]2CCN(c3ccccc3C)C(=O)[C@H]2C)c1 ZINC000037520194 563918373 /nfs/dbraw/zinc/91/83/73/563918373.db2.gz QLVASBLUASYGQU-QGZVFWFLSA-N 1 2 308.425 3.541 50 0 DHAALO CCSCc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000095458564 563931512 /nfs/dbraw/zinc/93/15/12/563931512.db2.gz SHGYTMJZUMHENZ-HNNXBMFYSA-N 1 2 315.442 3.640 50 0 DHAALO Cc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)cn1 ZINC000096403966 563936598 /nfs/dbraw/zinc/93/65/98/563936598.db2.gz AKOZYSKFEWUBJN-UHFFFAOYSA-N 1 2 301.440 3.865 50 0 DHAALO Cc1ccc(C(=O)C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000067206245 563948680 /nfs/dbraw/zinc/94/86/80/563948680.db2.gz QINFKQFUXYDWJX-UHFFFAOYSA-N 1 2 322.452 3.617 50 0 DHAALO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1 ZINC000008707891 563949981 /nfs/dbraw/zinc/94/99/81/563949981.db2.gz MODPWQOCQGDENH-SNVBAGLBSA-N 1 2 320.742 3.553 50 0 DHAALO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1 ZINC000008707891 563949982 /nfs/dbraw/zinc/94/99/82/563949982.db2.gz MODPWQOCQGDENH-SNVBAGLBSA-N 1 2 320.742 3.553 50 0 DHAALO Cc1sc2nc(-c3cccnc3)nc(-n3cc[nH+]c3)c2c1C ZINC000008725556 563950282 /nfs/dbraw/zinc/95/02/82/563950282.db2.gz XZXDZLCSMBZEAX-UHFFFAOYSA-N 1 2 307.382 3.556 50 0 DHAALO Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000040150758 563951593 /nfs/dbraw/zinc/95/15/93/563951593.db2.gz KYPNSWLWCKHQSC-MRXNPFEDSA-N 1 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VEVJOWJSUOXAHP-OAHLLOKOSA-N 1 2 319.355 3.805 50 0 DHAALO CC(C)Cn1cncc1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000952972276 1032676364 /nfs/dbraw/zinc/67/63/64/1032676364.db2.gz VGFGFVQHGVOICE-UHFFFAOYSA-N 1 2 313.232 3.531 50 0 DHAALO Cc1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000055543113 1020448670 /nfs/dbraw/zinc/44/86/70/1020448670.db2.gz BQHKTEZADZPGHI-UHFFFAOYSA-N 1 2 302.368 3.595 50 0 DHAALO CC(C)C[C@H](c1nc(-c2ccccc2F)no1)n1cc[nH+]c1 ZINC000874435418 1021586377 /nfs/dbraw/zinc/58/63/77/1021586377.db2.gz RYALHJGADPXIMW-CQSZACIVSA-N 1 2 300.337 3.708 50 0 DHAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000007878380 1022840901 /nfs/dbraw/zinc/84/09/01/1022840901.db2.gz ODFSFKFTSTZOOC-UONOGXRCSA-N 1 2 314.454 3.545 50 0 DHAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000007878380 1022840917 /nfs/dbraw/zinc/84/09/17/1022840917.db2.gz ODFSFKFTSTZOOC-UONOGXRCSA-N 1 2 314.454 3.545 50 0 DHAALO CCOC(=O)c1ccoc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088421 1023663383 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ZINC000090038326 185279262 /nfs/dbraw/zinc/27/92/62/185279262.db2.gz AKICVLYMJPAFBO-JQWIXIFHSA-N 1 2 308.476 3.636 50 0 DHAALO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1OC ZINC000092729926 185336675 /nfs/dbraw/zinc/33/66/75/185336675.db2.gz IIBYNMAVASCSMM-HNNXBMFYSA-N 1 2 315.417 3.544 50 0 DHAALO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1OC ZINC000092729926 185336676 /nfs/dbraw/zinc/33/66/76/185336676.db2.gz IIBYNMAVASCSMM-HNNXBMFYSA-N 1 2 315.417 3.544 50 0 DHAALO CCOc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1OC ZINC000092729926 185336677 /nfs/dbraw/zinc/33/66/77/185336677.db2.gz IIBYNMAVASCSMM-HNNXBMFYSA-N 1 2 315.417 3.544 50 0 DHAALO C[S@](=O)c1ccc(CNc2c[nH+]ccc2OC(C)(C)C)cc1 ZINC000095436196 185364826 /nfs/dbraw/zinc/36/48/26/185364826.db2.gz MWGYWHNNQBPXSS-JOCHJYFZSA-N 1 2 318.442 3.608 50 0 DHAALO Cc1nnc([C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)c2ccccc2)[nH]1 ZINC000095421732 185360767 /nfs/dbraw/zinc/36/07/67/185360767.db2.gz AMSPZROQRILBRP-RTBURBONSA-N 1 2 318.424 3.788 50 0 DHAALO Cc1nnc([C@@H]([NH2+][C@@H]2CCCc3sccc32)c2ccccc2)[nH]1 ZINC000095421727 185360945 /nfs/dbraw/zinc/36/09/45/185360945.db2.gz KCQFDRQMUZYEPX-WBVHZDCISA-N 1 2 324.453 3.931 50 0 DHAALO c1coc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000095464178 185371533 /nfs/dbraw/zinc/37/15/33/185371533.db2.gz WOQFEQXYBTVVQQ-UHFFFAOYSA-N 1 2 321.384 3.528 50 0 DHAALO C[C@H]([NH2+]Cc1cccn1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080342440 192150091 /nfs/dbraw/zinc/15/00/91/192150091.db2.gz HQOWGNYBTYBXES-NSHDSACASA-N 1 2 316.792 3.579 50 0 DHAALO Clc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)s1 ZINC000072162863 191063299 /nfs/dbraw/zinc/06/32/99/191063299.db2.gz PVTWPUVDWCIRPL-UHFFFAOYSA-N 1 2 321.877 3.504 50 0 DHAALO Clc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)s1 ZINC000072162863 191063300 /nfs/dbraw/zinc/06/33/00/191063300.db2.gz PVTWPUVDWCIRPL-UHFFFAOYSA-N 1 2 321.877 3.504 50 0 DHAALO CCn1ncnc1C[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000225616811 186284040 /nfs/dbraw/zinc/28/40/40/186284040.db2.gz FPPMRYXCFMYKRY-FQEVSTJZSA-N 1 2 320.440 3.794 50 0 DHAALO O=C(c1ccc2[nH+]ccn2c1)N1CCCCC[C@H]1c1ccco1 ZINC000076509613 191657869 /nfs/dbraw/zinc/65/78/69/191657869.db2.gz XUQKJQCDSBQZRX-HNNXBMFYSA-N 1 2 309.369 3.685 50 0 DHAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCc1cccnc1 ZINC000005584663 181260629 /nfs/dbraw/zinc/26/06/29/181260629.db2.gz YQXUPADIKSRJNB-UHFFFAOYSA-N 1 2 321.380 3.727 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc(C)c1C ZINC000015860730 182022731 /nfs/dbraw/zinc/02/27/31/182022731.db2.gz BINQCUMCRPUQFK-MRXNPFEDSA-N 1 2 324.424 3.655 50 0 DHAALO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000016377717 182042939 /nfs/dbraw/zinc/04/29/39/182042939.db2.gz IFUGPBBKKTUWFO-CHWSQXEVSA-N 1 2 314.351 3.596 50 0 DHAALO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000016377717 182042940 /nfs/dbraw/zinc/04/29/40/182042940.db2.gz IFUGPBBKKTUWFO-CHWSQXEVSA-N 1 2 314.351 3.596 50 0 DHAALO CC[NH+](CC)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000019202110 182107568 /nfs/dbraw/zinc/10/75/68/182107568.db2.gz PCXAWLMFXNPABB-LCYFTJDESA-N 1 2 324.833 3.676 50 0 DHAALO O=C(c1ccccc1)c1ccc(OCCCCn2cc[nH+]c2)cc1 ZINC000022309808 182317165 /nfs/dbraw/zinc/31/71/65/182317165.db2.gz NGGPMKBFEFRTHN-UHFFFAOYSA-N 1 2 320.392 3.973 50 0 DHAALO Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1cccc(Cl)c1 ZINC000023251308 182354593 /nfs/dbraw/zinc/35/45/93/182354593.db2.gz XPIVHZGUGQNCIJ-ZDUSSCGKSA-N 1 2 317.820 3.763 50 0 DHAALO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)cs1 ZINC000024821971 182392036 /nfs/dbraw/zinc/39/20/36/182392036.db2.gz OXECJHOSDPOBBM-GFCCVEGCSA-N 1 2 307.444 3.500 50 0 DHAALO CC(=O)Nc1nc(C[N@H+]2CCC[C@@H]2c2cccs2)cs1 ZINC000024821971 182392038 /nfs/dbraw/zinc/39/20/38/182392038.db2.gz OXECJHOSDPOBBM-GFCCVEGCSA-N 1 2 307.444 3.500 50 0 DHAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000040086376 183032062 /nfs/dbraw/zinc/03/20/62/183032062.db2.gz VIGYAPNSNSAVCR-LBPRGKRZSA-N 1 2 305.447 3.938 50 0 DHAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000040086376 183032064 /nfs/dbraw/zinc/03/20/64/183032064.db2.gz VIGYAPNSNSAVCR-LBPRGKRZSA-N 1 2 305.447 3.938 50 0 DHAALO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccccc1F ZINC000040466243 183072722 /nfs/dbraw/zinc/07/27/22/183072722.db2.gz SNJVKNOEWGMTSS-LLVKDONJSA-N 1 2 315.323 3.866 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000040504753 183084548 /nfs/dbraw/zinc/08/45/48/183084548.db2.gz UDRDZMQLDMOLFF-LJQANCHMSA-N 1 2 307.397 3.698 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000040504753 183084551 /nfs/dbraw/zinc/08/45/51/183084551.db2.gz UDRDZMQLDMOLFF-LJQANCHMSA-N 1 2 307.397 3.698 50 0 DHAALO COCCNc1nc(N[C@@H](C)c2ccccc2)c2ccccc2[nH+]1 ZINC000041154040 183178357 /nfs/dbraw/zinc/17/83/57/183178357.db2.gz ZAABLZAQUFOCSG-AWEZNQCLSA-N 1 2 322.412 3.861 50 0 DHAALO C[C@H](C(=O)Nc1ccc(SC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000056482540 184012954 /nfs/dbraw/zinc/01/29/54/184012954.db2.gz CMWYHGMRZOQIDJ-SECBINFHSA-N 1 2 315.320 3.695 50 0 DHAALO CN(C)c1nc(Nc2ccc([NH+](C)C)cc2)nc2ccccc21 ZINC000057270740 184031632 /nfs/dbraw/zinc/03/16/32/184031632.db2.gz NLKKLMFMUOQTRD-UHFFFAOYSA-N 1 2 307.401 3.505 50 0 DHAALO COc1ccc(Cl)c2sc(NCCCn3cc[nH+]c3)nc21 ZINC000061968153 184198958 /nfs/dbraw/zinc/19/89/58/184198958.db2.gz ORKSPYOCMRAQAV-UHFFFAOYSA-N 1 2 322.821 3.657 50 0 DHAALO O=C(CCCc1cccs1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120701323 195218908 /nfs/dbraw/zinc/21/89/08/195218908.db2.gz UMDPDZXCXUJYKF-AWEZNQCLSA-N 1 2 303.431 3.548 50 0 DHAALO Cc1cc(-c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C)[nH+]1 ZINC000426527774 257247552 /nfs/dbraw/zinc/24/75/52/257247552.db2.gz MFHYAZKFVSJMSE-IYBDPMFKSA-N 1 2 324.424 3.615 50 0 DHAALO Cc1ccc(-c2ccc(CCC(=O)N(C)Cc3[nH]cc[nH+]3)o2)cc1 ZINC000426484382 257249034 /nfs/dbraw/zinc/24/90/34/257249034.db2.gz CCSHPLPRMZMVAC-UHFFFAOYSA-N 1 2 323.396 3.569 50 0 DHAALO CCCCN(c1cc([C@H]2CCOC2)[nH+]c(C)n1)C1CCCC1 ZINC000426436533 257250546 /nfs/dbraw/zinc/25/05/46/257250546.db2.gz ILWQYTRPECWWDQ-HNNXBMFYSA-N 1 2 303.450 3.838 50 0 DHAALO FC(F)(F)c1cc(NC2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000330032389 257261032 /nfs/dbraw/zinc/26/10/32/257261032.db2.gz MLBHPVDUEHVQLG-UHFFFAOYSA-N 1 2 322.334 3.576 50 0 DHAALO Cc1[nH]ccc1C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000272582995 130044227 /nfs/dbraw/zinc/04/42/27/130044227.db2.gz YKZLDVYWEGYCHW-CYBMUJFWSA-N 1 2 312.417 3.658 50 0 DHAALO S=c1oc(-c2ccccc2Cl)nn1C[NH+]1CCCCC1 ZINC000000050034 563211812 /nfs/dbraw/zinc/21/18/12/563211812.db2.gz NQGLJXQKLCMIMG-UHFFFAOYSA-N 1 2 309.822 3.969 50 0 DHAALO COc1ccc(C=O)cc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000485488 563262997 /nfs/dbraw/zinc/26/29/97/563262997.db2.gz JFLRQHFNVMTJEA-GOSISDBHSA-N 1 2 310.397 3.630 50 0 biogenic DHAALO COc1ccc(C=O)cc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000485488 563263000 /nfs/dbraw/zinc/26/30/00/563263000.db2.gz JFLRQHFNVMTJEA-GOSISDBHSA-N 1 2 310.397 3.630 50 0 biogenic DHAALO CC[C@H](C)C(=O)N1CCC(n2c(C)[nH+]c3ccc(C)cc32)CC1 ZINC000034915435 563325367 /nfs/dbraw/zinc/32/53/67/563325367.db2.gz QOPIGDNNSRLTOU-AWEZNQCLSA-N 1 2 313.445 3.863 50 0 DHAALO CCS[C@H]1CCCC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000071899675 563326430 /nfs/dbraw/zinc/32/64/30/563326430.db2.gz USXGDFFXDHZPLR-LBPRGKRZSA-N 1 2 321.412 3.553 50 0 DHAALO CCS[C@H]1CCCC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000071899675 563326432 /nfs/dbraw/zinc/32/64/32/563326432.db2.gz USXGDFFXDHZPLR-LBPRGKRZSA-N 1 2 321.412 3.553 50 0 DHAALO C[C@@H]1SCC[N@H+](Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 ZINC000071911157 563333280 /nfs/dbraw/zinc/33/32/80/563333280.db2.gz KNMAFRRAMVBWNN-BLLLJJGKSA-N 1 2 315.442 3.626 50 0 DHAALO C[C@@H]1SCC[N@@H+](Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 ZINC000071911157 563333284 /nfs/dbraw/zinc/33/32/84/563333284.db2.gz KNMAFRRAMVBWNN-BLLLJJGKSA-N 1 2 315.442 3.626 50 0 DHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COCc1ccccc1 ZINC000002690298 563338818 /nfs/dbraw/zinc/33/88/18/563338818.db2.gz MUINDDGMPRTNRA-QGZVFWFLSA-N 1 2 324.424 3.567 50 0 DHAALO CC1CC[NH+](Cn2ncn(-c3cccc(Cl)c3)c2=S)CC1 ZINC000013070817 563377647 /nfs/dbraw/zinc/37/76/47/563377647.db2.gz FGDQDZBUPOEEJS-UHFFFAOYSA-N 1 2 322.865 3.746 50 0 DHAALO COc1ccc(-c2nn(C[N@@H+]3CCCC[C@@H]3C)c(=S)o2)cc1 ZINC000013942973 563392711 /nfs/dbraw/zinc/39/27/11/563392711.db2.gz HSMZZLMLBKCAII-LBPRGKRZSA-N 1 2 319.430 3.713 50 0 DHAALO COc1ccc(-c2nn(C[N@H+]3CCCC[C@@H]3C)c(=S)o2)cc1 ZINC000013942973 563392713 /nfs/dbraw/zinc/39/27/13/563392713.db2.gz HSMZZLMLBKCAII-LBPRGKRZSA-N 1 2 319.430 3.713 50 0 DHAALO O=C(Cn1cc[nH+]c1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000010809725 563418358 /nfs/dbraw/zinc/41/83/58/563418358.db2.gz IUSYIZRAIAMISW-UHFFFAOYSA-N 1 2 301.349 3.914 50 0 DHAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000030643014 563437702 /nfs/dbraw/zinc/43/77/02/563437702.db2.gz KDAHJPBBYZCYMH-KRWDZBQOSA-N 1 2 311.816 3.953 50 0 DHAALO COc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1OC ZINC000000293222 563447632 /nfs/dbraw/zinc/44/76/32/563447632.db2.gz MVAKJPBBDFAECM-UHFFFAOYSA-N 1 2 322.408 3.743 50 0 DHAALO COc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1OC ZINC000000293222 563447633 /nfs/dbraw/zinc/44/76/33/563447633.db2.gz MVAKJPBBDFAECM-UHFFFAOYSA-N 1 2 322.408 3.743 50 0 DHAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000023280793 563448657 /nfs/dbraw/zinc/44/86/57/563448657.db2.gz GBQCFYQGSHVVSY-UHFFFAOYSA-N 1 2 319.351 3.540 50 0 DHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000023280793 563448661 /nfs/dbraw/zinc/44/86/61/563448661.db2.gz GBQCFYQGSHVVSY-UHFFFAOYSA-N 1 2 319.351 3.540 50 0 DHAALO Cc1cc(Cl)cc2sc(NCCCn3cc[nH+]c3)nc21 ZINC000034936055 563452111 /nfs/dbraw/zinc/45/21/11/563452111.db2.gz GHYGKJLLBASXLZ-UHFFFAOYSA-N 1 2 306.822 3.957 50 0 DHAALO O=C1C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2N1 ZINC000053995167 563469760 /nfs/dbraw/zinc/46/97/60/563469760.db2.gz OHKBVRBTRGJEMT-HNNXBMFYSA-N 1 2 317.186 3.730 50 0 DHAALO Cc1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000055291987 563473502 /nfs/dbraw/zinc/47/35/02/563473502.db2.gz KBZDDDDRLGVZHU-UHFFFAOYSA-N 1 2 302.368 3.595 50 0 DHAALO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2nnc(C(C)C)o2)s1 ZINC000096424509 563481852 /nfs/dbraw/zinc/48/18/52/563481852.db2.gz YVYQHIXWBOFHSG-NSHDSACASA-N 1 2 308.451 3.713 50 0 DHAALO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2nnc(C(C)C)o2)s1 ZINC000096424509 563481855 /nfs/dbraw/zinc/48/18/55/563481855.db2.gz YVYQHIXWBOFHSG-NSHDSACASA-N 1 2 308.451 3.713 50 0 DHAALO c1cn(CCc2c[nH]c[nH+]2)c(-c2cnc(-c3ccccc3)s2)n1 ZINC000067878162 563492876 /nfs/dbraw/zinc/49/28/76/563492876.db2.gz MBUULLTXNKWBCA-UHFFFAOYSA-N 1 2 321.409 3.639 50 0 DHAALO c1cn(CCc2c[nH+]c[nH]2)c(-c2cnc(-c3ccccc3)s2)n1 ZINC000067878162 563492878 /nfs/dbraw/zinc/49/28/78/563492878.db2.gz MBUULLTXNKWBCA-UHFFFAOYSA-N 1 2 321.409 3.639 50 0 DHAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCF)CCO2 ZINC000071315308 563498362 /nfs/dbraw/zinc/49/83/62/563498362.db2.gz MECDRVDVVHMJPF-UHFFFAOYSA-N 1 2 301.361 3.532 50 0 DHAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCF)CCO2 ZINC000071315308 563498365 /nfs/dbraw/zinc/49/83/65/563498365.db2.gz MECDRVDVVHMJPF-UHFFFAOYSA-N 1 2 301.361 3.532 50 0 DHAALO c1cc(Oc2ccccc2)oc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000097057388 563504835 /nfs/dbraw/zinc/50/48/35/563504835.db2.gz GBLYZSXIGDPNNN-UHFFFAOYSA-N 1 2 324.384 3.570 50 0 DHAALO Cc1csc(N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000077486010 563510908 /nfs/dbraw/zinc/51/09/08/563510908.db2.gz RJANLWWSXRSGMJ-CYBMUJFWSA-N 1 2 312.442 3.787 50 0 DHAALO Oc1cccc(-c2nccn2CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000077504325 563511217 /nfs/dbraw/zinc/51/12/17/563511217.db2.gz BCRJVPOEWSUEPM-UHFFFAOYSA-N 1 2 318.380 3.765 50 0 DHAALO O=C(c1ccccc1F)c1ccccc1C[NH+]1CCSCC1 ZINC000085651678 563521430 /nfs/dbraw/zinc/52/14/30/563521430.db2.gz HTKGMEKKHMDKIC-UHFFFAOYSA-N 1 2 315.413 3.606 50 0 DHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000095356256 563529648 /nfs/dbraw/zinc/52/96/48/563529648.db2.gz MFWOUWLLGVSTOL-INIZCTEOSA-N 1 2 303.450 3.579 50 0 DHAALO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000097819651 563542715 /nfs/dbraw/zinc/54/27/15/563542715.db2.gz IAMWJCAAVRMYFE-QGZVFWFLSA-N 1 2 324.428 3.998 50 0 DHAALO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000097819651 563542718 /nfs/dbraw/zinc/54/27/18/563542718.db2.gz IAMWJCAAVRMYFE-QGZVFWFLSA-N 1 2 324.428 3.998 50 0 DHAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000007878382 563717477 /nfs/dbraw/zinc/71/74/77/563717477.db2.gz ODFSFKFTSTZOOC-KBPBESRZSA-N 1 2 314.454 3.545 50 0 DHAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000007878382 563717480 /nfs/dbraw/zinc/71/74/80/563717480.db2.gz ODFSFKFTSTZOOC-KBPBESRZSA-N 1 2 314.454 3.545 50 0 DHAALO Cc1c[nH]c([C@H](C)NC(=O)c2ccccc2-c2ccccc2)[nH+]1 ZINC000223951977 563738342 /nfs/dbraw/zinc/73/83/42/563738342.db2.gz JPCCGOLNLKZBCZ-AWEZNQCLSA-N 1 2 305.381 3.876 50 0 DHAALO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000225328762 563752212 /nfs/dbraw/zinc/75/22/12/563752212.db2.gz BFDKRZJDXGFICX-IUODEOHRSA-N 1 2 322.474 3.574 50 0 DHAALO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000225328762 563752214 /nfs/dbraw/zinc/75/22/14/563752214.db2.gz BFDKRZJDXGFICX-IUODEOHRSA-N 1 2 322.474 3.574 50 0 DHAALO CCn1ccnc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000051921803 563774184 /nfs/dbraw/zinc/77/41/84/563774184.db2.gz XQXAQBCJPWOUSF-NSHDSACASA-N 1 2 308.223 3.516 50 0 DHAALO O=C(CC[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000182180873 563774369 /nfs/dbraw/zinc/77/43/69/563774369.db2.gz GMDRDTXXVGFWEN-OAHLLOKOSA-N 1 2 300.427 3.943 50 0 DHAALO O=C(CC[N@H+]1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000182180873 563774372 /nfs/dbraw/zinc/77/43/72/563774372.db2.gz GMDRDTXXVGFWEN-OAHLLOKOSA-N 1 2 300.427 3.943 50 0 DHAALO Cc1ccc([C@@H](OC(=O)Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000006025285 563795586 /nfs/dbraw/zinc/79/55/86/563795586.db2.gz YFAFEXCBJRBHOZ-IBGZPJMESA-N 1 2 306.365 3.524 50 0 DHAALO C[C@@H]1C[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 ZINC000012815055 563836603 /nfs/dbraw/zinc/83/66/03/563836603.db2.gz SHFQSGPVQDPOCZ-VXGBXAGGSA-N 1 2 306.793 3.604 50 0 DHAALO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000241684854 563880790 /nfs/dbraw/zinc/88/07/90/563880790.db2.gz QFTINGOVVRYVEE-KBXCAEBGSA-N 1 2 301.430 3.551 50 0 DHAALO CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000241684854 563880793 /nfs/dbraw/zinc/88/07/93/563880793.db2.gz QFTINGOVVRYVEE-KBXCAEBGSA-N 1 2 301.430 3.551 50 0 DHAALO Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1-c1[nH]cc[nH+]1 ZINC000089526260 563889429 /nfs/dbraw/zinc/88/94/29/563889429.db2.gz WLMIFBOWUNCFPI-LLVKDONJSA-N 1 2 324.384 3.814 50 0 DHAALO COc1cccc(N[C@@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)c1 ZINC000170603323 563907377 /nfs/dbraw/zinc/90/73/77/563907377.db2.gz DEBCQHDWSMHTMO-INIZCTEOSA-N 1 2 314.433 3.732 50 0 DHAALO Cc1nnc(C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000253426784 563925414 /nfs/dbraw/zinc/92/54/14/563925414.db2.gz XOMCPQRGHCYPOQ-UHFFFAOYSA-N 1 2 324.211 3.974 50 0 DHAALO Cc1nnc(C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000253426784 563925416 /nfs/dbraw/zinc/92/54/16/563925416.db2.gz XOMCPQRGHCYPOQ-UHFFFAOYSA-N 1 2 324.211 3.974 50 0 DHAALO Nc1[nH+]cccc1-c1cccc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000584889859 563925560 /nfs/dbraw/zinc/92/55/60/563925560.db2.gz LCGDQODDHKDJQK-OWQGQXMQSA-N 1 2 321.424 3.639 50 0 DHAALO O[C@@H]1CCCC[C@@H]1Oc1ccc([NH2+]C2CCSCC2)cc1 ZINC000095964702 563932736 /nfs/dbraw/zinc/93/27/36/563932736.db2.gz XPZSHSSXYMNETI-SJORKVTESA-N 1 2 307.459 3.676 50 0 DHAALO Cc1nc(CN(C)c2ccc([NH+](C)C)cc2)nc2ccccc12 ZINC000095977307 563933680 /nfs/dbraw/zinc/93/36/80/563933680.db2.gz OFNYGMOSRDKOCT-UHFFFAOYSA-N 1 2 306.413 3.641 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000095981991 563933903 /nfs/dbraw/zinc/93/39/03/563933903.db2.gz IGCMWEVHSFYVAP-MNOVXSKESA-N 1 2 301.312 3.633 50 0 DHAALO CCn1c(C)nnc1C[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000095985228 563934246 /nfs/dbraw/zinc/93/42/46/563934246.db2.gz FLGQQXYAFHHVBL-MRXNPFEDSA-N 1 2 306.841 3.747 50 0 DHAALO CCc1ccc([C@H](C)[NH2+]Cc2nccn2Cc2ccccc2)o1 ZINC000096478707 563937390 /nfs/dbraw/zinc/93/73/90/563937390.db2.gz AVZFUYKVDMABMT-HNNXBMFYSA-N 1 2 309.413 3.938 50 0 DHAALO Cc1ccc(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c[nH+]1 ZINC000097038098 563937669 /nfs/dbraw/zinc/93/76/69/563937669.db2.gz MCOFXFMVLRHBEU-ZDUSSCGKSA-N 1 2 310.401 3.847 50 0 DHAALO Cc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000008327727 563947808 /nfs/dbraw/zinc/94/78/08/563947808.db2.gz XLNAPLVNSUPKHB-KRWDZBQOSA-N 1 2 322.412 3.721 50 0 DHAALO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000008327727 563947810 /nfs/dbraw/zinc/94/78/10/563947810.db2.gz XLNAPLVNSUPKHB-KRWDZBQOSA-N 1 2 322.412 3.721 50 0 DHAALO Cc1c(Cl)c(C[N@@H+]2CCc3cncnc3C2)nc2ccccc12 ZINC000069485963 563952951 /nfs/dbraw/zinc/95/29/51/563952951.db2.gz ZLEFCTFQEXSTIV-UHFFFAOYSA-N 1 2 324.815 3.545 50 0 DHAALO Cc1c(Cl)c(C[N@H+]2CCc3cncnc3C2)nc2ccccc12 ZINC000069485963 563952952 /nfs/dbraw/zinc/95/29/52/563952952.db2.gz ZLEFCTFQEXSTIV-UHFFFAOYSA-N 1 2 324.815 3.545 50 0 DHAALO O=C(c1cc2ccccc2s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069657289 563954032 /nfs/dbraw/zinc/95/40/32/563954032.db2.gz YUFPIYUOBROIKX-CQSZACIVSA-N 1 2 311.410 3.575 50 0 DHAALO Clc1cnccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000173565888 563954333 /nfs/dbraw/zinc/95/43/33/563954333.db2.gz QWPQUIREMIBOCB-HNNXBMFYSA-N 1 2 306.793 3.509 50 0 DHAALO Clc1cnccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000173565888 563954334 /nfs/dbraw/zinc/95/43/34/563954334.db2.gz QWPQUIREMIBOCB-HNNXBMFYSA-N 1 2 306.793 3.509 50 0 DHAALO CCCCc1nc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cs1 ZINC000069819532 563954819 /nfs/dbraw/zinc/95/48/19/563954819.db2.gz AUDUFYXPXMBEEJ-OAHLLOKOSA-N 1 2 304.463 3.556 50 0 DHAALO CCCCc1nc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cs1 ZINC000069819532 563954820 /nfs/dbraw/zinc/95/48/20/563954820.db2.gz AUDUFYXPXMBEEJ-OAHLLOKOSA-N 1 2 304.463 3.556 50 0 DHAALO O=C(NCC(F)(F)F)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000069950417 563955367 /nfs/dbraw/zinc/95/53/67/563955367.db2.gz BJJLEQFVKYMSGG-UHFFFAOYSA-N 1 2 311.263 3.558 50 0 DHAALO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCC(C)CC2)c1 ZINC000009627541 563957071 /nfs/dbraw/zinc/95/70/71/563957071.db2.gz DIGAJZLMRDJBMF-UHFFFAOYSA-N 1 2 321.428 3.669 50 0 DHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)cn1 ZINC000071797211 563958558 /nfs/dbraw/zinc/95/85/58/563958558.db2.gz SPOUTHROMIIPFC-CQSZACIVSA-N 1 2 304.463 3.511 50 0 DHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2csc(C(C)(C)C)n2)cn1 ZINC000071797211 563958559 /nfs/dbraw/zinc/95/85/59/563958559.db2.gz SPOUTHROMIIPFC-CQSZACIVSA-N 1 2 304.463 3.511 50 0 DHAALO C[C@@H](Oc1ccc[nH+]c1NCc1ccnn1C)c1ccccc1 ZINC000097094793 568413583 /nfs/dbraw/zinc/41/35/83/568413583.db2.gz GZHSUEMRLKMFAD-CQSZACIVSA-N 1 2 308.385 3.567 50 0 DHAALO FC(F)(F)CN1CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000952863415 1032665603 /nfs/dbraw/zinc/66/56/03/1032665603.db2.gz FRHKSSOEGDICFR-UHFFFAOYSA-N 1 2 324.346 3.627 50 0 DHAALO COc1ccc([C@@H]2C[C@@H](n3cc[nH+]c3)ON2c2ccccc2)cc1 ZINC000039414199 1018617620 /nfs/dbraw/zinc/61/76/20/1018617620.db2.gz AFTAGWUIMKVNOV-OALUTQOASA-N 1 2 321.380 3.974 50 0 DHAALO CCn1c2ccccc2c2cc(NC(=O)Cn3cc[nH+]c3)ccc21 ZINC000010809285 1021592555 /nfs/dbraw/zinc/59/25/55/1021592555.db2.gz SIAGLLLMGJEYPM-UHFFFAOYSA-N 1 2 318.380 3.650 50 0 DHAALO c1nc(C2CCCCC2)ncc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000215818385 1024525830 /nfs/dbraw/zinc/52/58/30/1024525830.db2.gz KSNVNSDGWOFCMD-QZTJIDSGSA-N 1 2 315.461 3.668 50 0 DHAALO c1nc(C2CCCCC2)ncc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000215818385 1024525833 /nfs/dbraw/zinc/52/58/33/1024525833.db2.gz KSNVNSDGWOFCMD-QZTJIDSGSA-N 1 2 315.461 3.668 50 0 DHAALO Cc1nc(NCc2ccc(-c3c[nH]cn3)cc2)c2c([nH+]1)CCCC2 ZINC000871073647 1036707447 /nfs/dbraw/zinc/70/74/47/1036707447.db2.gz HLWSUXIJPPWJLH-UHFFFAOYSA-N 1 2 319.412 3.666 50 0 DHAALO Cc1cc2[nH+]cn(Cc3noc(-c4cccs4)n3)c2cc1C ZINC000076555351 185022442 /nfs/dbraw/zinc/02/24/42/185022442.db2.gz UGZKQYPCMBGVOB-UHFFFAOYSA-N 1 2 310.382 3.813 50 0 DHAALO COc1cccc(C(=O)Nc2ccc3[nH]c(C4CC4)[nH+]c3c2)c1 ZINC000079475794 185173127 /nfs/dbraw/zinc/17/31/27/185173127.db2.gz ZLUFNIOLVQGMQZ-UHFFFAOYSA-N 1 2 307.353 3.701 50 0 DHAALO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000089947966 185270791 /nfs/dbraw/zinc/27/07/91/185270791.db2.gz WBYOVJCTZIPUIW-ZDUSSCGKSA-N 1 2 314.414 3.776 50 0 DHAALO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000089947966 185270792 /nfs/dbraw/zinc/27/07/92/185270792.db2.gz WBYOVJCTZIPUIW-ZDUSSCGKSA-N 1 2 314.414 3.776 50 0 DHAALO CSCc1ccc(N2CCC([C@H](O)CC(C)C)CC2)[nH+]c1 ZINC000082120499 192358511 /nfs/dbraw/zinc/35/85/11/192358511.db2.gz PDNWEISXOCHHTA-MRXNPFEDSA-N 1 2 308.491 3.568 50 0 DHAALO CCCn1cc[nH+]c1Cn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082138268 192361031 /nfs/dbraw/zinc/36/10/31/192361031.db2.gz BFNAKYUMCXMNRN-UHFFFAOYSA-N 1 2 317.396 3.753 50 0 DHAALO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccncc2Cl)cc1OC ZINC000097033485 185399663 /nfs/dbraw/zinc/39/96/63/185399663.db2.gz XHAPSOVGYFQLSB-SNVBAGLBSA-N 1 2 324.783 3.742 50 0 DHAALO Cc1nnc(C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)o1 ZINC000083446785 192370431 /nfs/dbraw/zinc/37/04/31/192370431.db2.gz SAURQEFQNJDWIV-UHFFFAOYSA-N 1 2 307.344 3.601 50 0 DHAALO Cc1nnc(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)o1 ZINC000083446785 192370434 /nfs/dbraw/zinc/37/04/34/192370434.db2.gz SAURQEFQNJDWIV-UHFFFAOYSA-N 1 2 307.344 3.601 50 0 DHAALO Cn1ccnc1SCCn1cc[nH+]c1-c1cccc(Cl)c1 ZINC000071714474 191010656 /nfs/dbraw/zinc/01/06/56/191010656.db2.gz LBFDSNIDAOUWNS-UHFFFAOYSA-N 1 2 318.833 3.729 50 0 DHAALO Cc1nc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc[nH+]1 ZINC000071764842 191027134 /nfs/dbraw/zinc/02/71/34/191027134.db2.gz OZUVREOZKLBDGL-AWEZNQCLSA-N 1 2 324.211 3.670 50 0 DHAALO Cc1ccn2cc(CN3CCO[C@@H](CCCC(C)C)C3)[nH+]c2c1 ZINC000071765190 191027882 /nfs/dbraw/zinc/02/78/82/191027882.db2.gz BYBFKOBJJVGEOI-SFHVURJKSA-N 1 2 315.461 3.670 50 0 DHAALO CC(C)n1c[nH+]cc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071763862 191028219 /nfs/dbraw/zinc/02/82/19/191028219.db2.gz GHCPHEZQAYUYSH-QGZVFWFLSA-N 1 2 319.836 3.691 50 0 DHAALO c1cc2ccc(N3CCC[C@@H](c4[nH]c5ccccc5[nH+]4)C3)nc2[nH]1 ZINC000072144195 191050721 /nfs/dbraw/zinc/05/07/21/191050721.db2.gz LQHZFNPYYKZLHV-CQSZACIVSA-N 1 2 317.396 3.823 50 0 DHAALO Cc1cccc(-c2ccccc2C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000072147363 191053018 /nfs/dbraw/zinc/05/30/18/191053018.db2.gz LZIYECBHXQOVBS-UHFFFAOYSA-N 1 2 317.392 3.515 50 0 DHAALO CCc1ccccc1[C@H]1c2[nH]cnc2CC[N@H+]1Cc1ccco1 ZINC000072146982 191053623 /nfs/dbraw/zinc/05/36/23/191053623.db2.gz IAZCYJCVXANKSM-IBGZPJMESA-N 1 2 307.397 3.713 50 0 DHAALO CCc1ccccc1[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccco1 ZINC000072146982 191053626 /nfs/dbraw/zinc/05/36/26/191053626.db2.gz IAZCYJCVXANKSM-IBGZPJMESA-N 1 2 307.397 3.713 50 0 DHAALO Clc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccn1)OCO2 ZINC000072148434 191054888 /nfs/dbraw/zinc/05/48/88/191054888.db2.gz HUIUDFZNFLODAX-OAHLLOKOSA-N 1 2 316.788 3.801 50 0 DHAALO Clc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccn1)OCO2 ZINC000072148434 191054889 /nfs/dbraw/zinc/05/48/89/191054889.db2.gz HUIUDFZNFLODAX-OAHLLOKOSA-N 1 2 316.788 3.801 50 0 DHAALO O=C(c1ccccc1-c1ccccc1)N1CCCn2c[nH+]cc2C1 ZINC000072149936 191055767 /nfs/dbraw/zinc/05/57/67/191055767.db2.gz IJAYPOPYCKAVSO-UHFFFAOYSA-N 1 2 317.392 3.596 50 0 DHAALO Fc1cccc(C[NH+]2CCN(Cc3ccc4occc4c3)CC2)c1 ZINC000072163262 191063711 /nfs/dbraw/zinc/06/37/11/191063711.db2.gz VFMKKTFTQZZVRZ-UHFFFAOYSA-N 1 2 324.399 3.890 50 0 DHAALO CCn1c(=S)n(C[NH+]2CCCCCC2)nc1-c1ccccc1 ZINC000000274797 180745314 /nfs/dbraw/zinc/74/53/14/180745314.db2.gz BHGSIVLYGKWVJK-UHFFFAOYSA-N 1 2 316.474 3.934 50 0 DHAALO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000003564670 181035157 /nfs/dbraw/zinc/03/51/57/181035157.db2.gz RGWUWGUNSKANCG-SNVBAGLBSA-N 1 2 301.217 3.664 50 0 DHAALO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000003564670 181035158 /nfs/dbraw/zinc/03/51/58/181035158.db2.gz RGWUWGUNSKANCG-SNVBAGLBSA-N 1 2 301.217 3.664 50 0 DHAALO CCN(CC)P(=[NH2+])(c1c(C)nc2ccccn21)N(CC)CC ZINC000005071609 181201218 /nfs/dbraw/zinc/20/12/18/181201218.db2.gz MYBPRNSEEPWEBI-UHFFFAOYSA-N 1 2 321.409 3.562 50 0 DHAALO CC(C)c1cc(-n2cc[nH+]c2)n2ncc(-c3ccccc3)c2n1 ZINC000005207806 181216767 /nfs/dbraw/zinc/21/67/67/181216767.db2.gz AUQMRGQPWXBJPS-UHFFFAOYSA-N 1 2 303.369 3.705 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(Cl)c1C ZINC000005627877 181265254 /nfs/dbraw/zinc/26/52/54/181265254.db2.gz IMUOJUYSTYMHDL-UHFFFAOYSA-N 1 2 313.788 3.945 50 0 DHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000091769877 193105244 /nfs/dbraw/zinc/10/52/44/193105244.db2.gz DIJRHAPTRQFOFT-OAHLLOKOSA-N 1 2 312.417 3.623 50 0 DHAALO O=C(C[NH+]1CCCCCCC1)Nc1ncc(Cl)cc1Cl ZINC000007582314 181476084 /nfs/dbraw/zinc/47/60/84/181476084.db2.gz ZZQROAGBVGYMAV-UHFFFAOYSA-N 1 2 316.232 3.593 50 0 DHAALO COc1ccsc1C[N@@H+]1CCSC[C@H]1c1ccc(C)o1 ZINC000093818958 193313889 /nfs/dbraw/zinc/31/38/89/193313889.db2.gz BNYDPDSBACMTTF-LBPRGKRZSA-N 1 2 309.456 3.948 50 0 DHAALO COc1ccsc1C[N@H+]1CCSC[C@H]1c1ccc(C)o1 ZINC000093818958 193313891 /nfs/dbraw/zinc/31/38/91/193313891.db2.gz BNYDPDSBACMTTF-LBPRGKRZSA-N 1 2 309.456 3.948 50 0 DHAALO CC(C)c1cc(C[N@H+](C)Cc2ccc(Cn3cccn3)cc2)no1 ZINC000097243961 193698061 /nfs/dbraw/zinc/69/80/61/193698061.db2.gz GCYOQXDZDDMRTF-UHFFFAOYSA-N 1 2 324.428 3.675 50 0 DHAALO CC(C)c1cc(C[N@@H+](C)Cc2ccc(Cn3cccn3)cc2)no1 ZINC000097243961 193698064 /nfs/dbraw/zinc/69/80/64/193698064.db2.gz GCYOQXDZDDMRTF-UHFFFAOYSA-N 1 2 324.428 3.675 50 0 DHAALO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000016377718 182042600 /nfs/dbraw/zinc/04/26/00/182042600.db2.gz IFUGPBBKKTUWFO-QWHCGFSZSA-N 1 2 314.351 3.596 50 0 DHAALO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000016377718 182042601 /nfs/dbraw/zinc/04/26/01/182042601.db2.gz IFUGPBBKKTUWFO-QWHCGFSZSA-N 1 2 314.351 3.596 50 0 DHAALO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+](C)Cc1ccco1 ZINC000023732507 182367734 /nfs/dbraw/zinc/36/77/34/182367734.db2.gz GOLVJJBUTQYCIU-NSHDSACASA-N 1 2 301.321 3.662 50 0 DHAALO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@@H+](C)Cc1ccco1 ZINC000023732507 182367735 /nfs/dbraw/zinc/36/77/35/182367735.db2.gz GOLVJJBUTQYCIU-NSHDSACASA-N 1 2 301.321 3.662 50 0 DHAALO OC[C@@H]1C[N@@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000038781877 183009590 /nfs/dbraw/zinc/00/95/90/183009590.db2.gz YAFYNSAZZKZZSR-BBQAJUCSSA-N 1 2 315.416 3.655 50 0 DHAALO OC[C@@H]1C[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000038781877 183009592 /nfs/dbraw/zinc/00/95/92/183009592.db2.gz YAFYNSAZZKZZSR-BBQAJUCSSA-N 1 2 315.416 3.655 50 0 DHAALO C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl ZINC000057703520 184047550 /nfs/dbraw/zinc/04/75/50/184047550.db2.gz ABIWDPPNYCKXMD-CXAGYDPISA-N 1 2 316.832 3.820 50 0 DHAALO O=C(Nc1ccc2c(c1)CCC2)c1cc2c(s1)C[N@@H+](C1CC1)C2 ZINC000065238863 184317156 /nfs/dbraw/zinc/31/71/56/184317156.db2.gz UMXUEDPPUWNFHR-UHFFFAOYSA-N 1 2 324.449 3.967 50 0 DHAALO O=C(Nc1ccc2c(c1)CCC2)c1cc2c(s1)C[N@H+](C1CC1)C2 ZINC000065238863 184317157 /nfs/dbraw/zinc/31/71/57/184317157.db2.gz UMXUEDPPUWNFHR-UHFFFAOYSA-N 1 2 324.449 3.967 50 0 DHAALO CC[N@H+](Cc1nnn(-c2ccc(F)cc2)c1C)Cc1ccccc1 ZINC000065239668 184317370 /nfs/dbraw/zinc/31/73/70/184317370.db2.gz BBFQWJZBQAMEAO-UHFFFAOYSA-N 1 2 324.403 3.737 50 0 DHAALO CC[N@@H+](Cc1nnn(-c2ccc(F)cc2)c1C)Cc1ccccc1 ZINC000065239668 184317372 /nfs/dbraw/zinc/31/73/72/184317372.db2.gz BBFQWJZBQAMEAO-UHFFFAOYSA-N 1 2 324.403 3.737 50 0 DHAALO CCN(CC)c1cc(CCC(=O)Nc2ccc(C)cc2)cc[nH+]1 ZINC000065269917 184320221 /nfs/dbraw/zinc/32/02/21/184320221.db2.gz OZPHJUCGQFMXOP-UHFFFAOYSA-N 1 2 311.429 3.808 50 0 DHAALO CCCCc1[nH]c([C@@H]2C[C@H](NC(C)=O)C[C@H](CC(C)C)O2)c[nH+]1 ZINC000065435703 184344583 /nfs/dbraw/zinc/34/45/83/184344583.db2.gz IRRREXTWXRDBSQ-VYDXJSESSA-N 1 2 321.465 3.523 50 0 DHAALO CCCCc1[nH]cc([C@@H]2C[C@H](NC(C)=O)C[C@H](CC(C)C)O2)[nH+]1 ZINC000065435703 184344584 /nfs/dbraw/zinc/34/45/84/184344584.db2.gz IRRREXTWXRDBSQ-VYDXJSESSA-N 1 2 321.465 3.523 50 0 DHAALO CCC[C@H](C)c1c(-c2ccccc2)[nH+]cn1CCCc1nn[nH]n1 ZINC000065460197 184348983 /nfs/dbraw/zinc/34/89/83/184348983.db2.gz QFZDSLQQQGLHGQ-AWEZNQCLSA-N 1 2 324.432 3.600 50 0 DHAALO Cc1sc2ncnc(NCC[C@H](C)n3cc[nH+]c3)c2c1C ZINC000065396830 184335700 /nfs/dbraw/zinc/33/57/00/184335700.db2.gz YMWIKYQGNPRKLF-JTQLQIEISA-N 1 2 301.419 3.568 50 0 DHAALO CCCCC(=O)N[C@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000065523004 184359187 /nfs/dbraw/zinc/35/91/87/184359187.db2.gz MYQSMMZJNKYIQP-CQSZACIVSA-N 1 2 321.371 3.868 50 0 DHAALO Cc1cc2cc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)ccc2[nH]1 ZINC000065534149 184361745 /nfs/dbraw/zinc/36/17/45/184361745.db2.gz VGVKSJCJJLSQAB-UHFFFAOYSA-N 1 2 318.380 3.614 50 0 DHAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1nccc2ccccc21 ZINC000065553138 184365725 /nfs/dbraw/zinc/36/57/25/184365725.db2.gz IHTNYONCIYSYDA-UHFFFAOYSA-N 1 2 314.348 3.673 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000121819719 195354582 /nfs/dbraw/zinc/35/45/82/195354582.db2.gz MHEKILNVITZRLA-HNNXBMFYSA-N 1 2 324.409 3.758 50 0 DHAALO Cc1ccc(S(=O)(=O)Nc2cccc3ccc[n+](C)c32)cc1 ZINC000334157299 337383770 /nfs/dbraw/zinc/38/37/70/337383770.db2.gz XYWIECZOYIAGRU-UHFFFAOYSA-O 1 2 313.402 3.604 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)NCc1ccccc1OC1CCC1 ZINC000121681646 337897099 /nfs/dbraw/zinc/89/70/99/337897099.db2.gz SWOIDZKRWQLXDC-UHFFFAOYSA-N 1 2 311.385 3.643 50 0 DHAALO [NH3+]C1=Cc2ccccc2CN1c1ccc(Br)cc1 ZINC000103257895 563666862 /nfs/dbraw/zinc/66/68/62/563666862.db2.gz ZISWASVDHPPXNT-UHFFFAOYSA-N 1 2 301.187 3.726 50 0 DHAALO Cc1nc(C[N@H+]2CCC[C@H](C(=O)c3cccs3)C2)cs1 ZINC000252479808 563783920 /nfs/dbraw/zinc/78/39/20/563783920.db2.gz BMZMPNQZDUWTNZ-LBPRGKRZSA-N 1 2 306.456 3.608 50 0 DHAALO Cc1nc([C@@H]([NH2+]C2CCSCC2)c2ccc(Cl)cc2)no1 ZINC000182681062 563793593 /nfs/dbraw/zinc/79/35/93/563793593.db2.gz UQOTZXLTDYUEOM-AWEZNQCLSA-N 1 2 323.849 3.606 50 0 DHAALO C[C@H]1CC[C@H](C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000584902326 563297564 /nfs/dbraw/zinc/29/75/64/563297564.db2.gz XTRBUWGUPGRNJR-KBAYOESNSA-N 1 2 311.429 3.567 50 0 DHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc(C)c1 ZINC000003141011 563322531 /nfs/dbraw/zinc/32/25/31/563322531.db2.gz CDQLFYQEHOTRNO-INIZCTEOSA-N 1 2 324.424 3.737 50 0 DHAALO CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000071911123 563333014 /nfs/dbraw/zinc/33/30/14/563333014.db2.gz PUJWAOIITCUUDB-LLVKDONJSA-N 1 2 307.781 3.523 50 0 DHAALO CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000071911124 563333433 /nfs/dbraw/zinc/33/34/33/563333433.db2.gz PUJWAOIITCUUDB-NSHDSACASA-N 1 2 307.781 3.523 50 0 DHAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000013072784 563377382 /nfs/dbraw/zinc/37/73/82/563377382.db2.gz ROEVWBKLGOXACW-UHFFFAOYSA-N 1 2 320.795 3.858 50 0 DHAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000013072784 563377387 /nfs/dbraw/zinc/37/73/87/563377387.db2.gz ROEVWBKLGOXACW-UHFFFAOYSA-N 1 2 320.795 3.858 50 0 DHAALO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc(Cl)c1 ZINC000013038321 563377591 /nfs/dbraw/zinc/37/75/91/563377591.db2.gz OSKLJVFGELKTPD-UHFFFAOYSA-N 1 2 306.768 3.550 50 0 DHAALO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc(Cl)c1 ZINC000013038321 563377594 /nfs/dbraw/zinc/37/75/94/563377594.db2.gz OSKLJVFGELKTPD-UHFFFAOYSA-N 1 2 306.768 3.550 50 0 DHAALO Cc1ccccc1-c1cnnc(N[C@H](C)Cc2[nH+]cccc2C)n1 ZINC000015076908 563406858 /nfs/dbraw/zinc/40/68/58/563406858.db2.gz PWUOHEWRVXQYSJ-OAHLLOKOSA-N 1 2 319.412 3.594 50 0 DHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)c1 ZINC000018038176 563414791 /nfs/dbraw/zinc/41/47/91/563414791.db2.gz DLJHKUKZXUWCQO-GASCZTMLSA-N 1 2 321.428 3.606 50 0 DHAALO CCc1ccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000032951025 563425349 /nfs/dbraw/zinc/42/53/49/563425349.db2.gz KOTCDMKQHMJTPH-UHFFFAOYSA-N 1 2 322.412 3.729 50 0 DHAALO Cn1ccnc1[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000030643037 563437611 /nfs/dbraw/zinc/43/76/11/563437611.db2.gz QVEAVDSQGPFWSL-QGZVFWFLSA-N 1 2 311.816 3.953 50 0 DHAALO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(F)c1)c1cccc(F)c1 ZINC000030645426 563437715 /nfs/dbraw/zinc/43/77/15/563437715.db2.gz XPNROSFXWPAMSY-KRWDZBQOSA-N 1 2 313.351 3.578 50 0 DHAALO Cc1cccc(C)c1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000052518720 563468668 /nfs/dbraw/zinc/46/86/68/563468668.db2.gz VNJFRVCGHPNPOD-UHFFFAOYSA-N 1 2 315.848 3.674 50 0 DHAALO CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1Cl)C(C)C ZINC000071920736 563469653 /nfs/dbraw/zinc/46/96/53/563469653.db2.gz CQXAVYFEJWXMED-AWEZNQCLSA-N 1 2 310.869 3.806 50 0 DHAALO CC(C)N(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1Cl)C(C)C ZINC000071920736 563469656 /nfs/dbraw/zinc/46/96/56/563469656.db2.gz CQXAVYFEJWXMED-AWEZNQCLSA-N 1 2 310.869 3.806 50 0 DHAALO Fc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055542950 563476150 /nfs/dbraw/zinc/47/61/50/563476150.db2.gz ZHKJDWWPXPMBQV-UHFFFAOYSA-N 1 2 304.796 3.801 50 0 DHAALO c1cc(C[N@@H+]2CCCC[C@@H]2c2nncn2-c2ccccc2)co1 ZINC000097941596 563480941 /nfs/dbraw/zinc/48/09/41/563480941.db2.gz 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563494578 /nfs/dbraw/zinc/49/45/78/563494578.db2.gz AWFAHZDUESCKMH-CYBMUJFWSA-N 1 2 312.392 3.718 50 0 DHAALO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000067983015 563494582 /nfs/dbraw/zinc/49/45/82/563494582.db2.gz AWFAHZDUESCKMH-CYBMUJFWSA-N 1 2 312.392 3.718 50 0 DHAALO Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000033131220 563497121 /nfs/dbraw/zinc/49/71/21/563497121.db2.gz SKGZQXTVNGRHJE-UHFFFAOYSA-N 1 2 324.428 3.702 50 0 DHAALO CCCn1cc[nH+]c1Cn1ccnc1-c1ccc(O)c(Cl)c1 ZINC000077299697 563508319 /nfs/dbraw/zinc/50/83/19/563508319.db2.gz JMDOXEXZJFVFOA-UHFFFAOYSA-N 1 2 316.792 3.564 50 0 DHAALO CCN(CC)c1cc(CNC(=O)Nc2cccc(C)c2)cc[nH+]1 ZINC000033280258 563518478 /nfs/dbraw/zinc/51/84/78/563518478.db2.gz CVEHTFQTYLDTRF-UHFFFAOYSA-N 1 2 312.417 3.558 50 0 DHAALO c1ccc2c(c1)cc[nH+]c2N1CCC[C@H](OCc2cccnc2)C1 ZINC000096130740 563533576 /nfs/dbraw/zinc/53/35/76/563533576.db2.gz KNZPGGXPYPLACW-SFHVURJKSA-N 1 2 319.408 3.815 50 0 DHAALO CC(C)c1nc(C[N@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)co1 ZINC000097370445 563538430 /nfs/dbraw/zinc/53/84/30/563538430.db2.gz YFIBSUWDKKYTJE-ZDUSSCGKSA-N 1 2 316.401 3.762 50 0 DHAALO CC(C)c1nc(C[N@@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)co1 ZINC000097370445 563538433 /nfs/dbraw/zinc/53/84/33/563538433.db2.gz YFIBSUWDKKYTJE-ZDUSSCGKSA-N 1 2 316.401 3.762 50 0 DHAALO CCCc1[nH]c2ccc(CCC(=O)N3CCCCCC3)cc2[nH+]1 ZINC000075478708 563606058 /nfs/dbraw/zinc/60/60/58/563606058.db2.gz WLIPSAVOSZIKEB-UHFFFAOYSA-N 1 2 313.445 3.851 50 0 DHAALO CCCc1[nH]c2cc(CCC(=O)N3CCCCCC3)ccc2[nH+]1 ZINC000075478708 563606060 /nfs/dbraw/zinc/60/60/60/563606060.db2.gz WLIPSAVOSZIKEB-UHFFFAOYSA-N 1 2 313.445 3.851 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC[C@H](C)C2)c(C)c1 ZINC000000529402 563665366 /nfs/dbraw/zinc/66/53/66/563665366.db2.gz CLQVVBPDAXJGBV-AWEZNQCLSA-N 1 2 321.428 3.669 50 0 in-vivo DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000000545754 563669400 /nfs/dbraw/zinc/66/94/00/563669400.db2.gz 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CCc1[nH+]cc([C@](O)(c2ccccc2)c2ccc(C)cc2)n1C ZINC000004018998 181063232 /nfs/dbraw/zinc/06/32/32/181063232.db2.gz AOHUBYPOVXLHCZ-FQEVSTJZSA-N 1 2 306.409 3.575 50 0 DHAALO CCCN(CCC)c1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000004355005 181101924 /nfs/dbraw/zinc/10/19/24/181101924.db2.gz OVUGDEFXQSESRW-UHFFFAOYSA-N 1 2 309.417 3.750 50 0 DHAALO Cc1cc(Cl)cc(Br)c1OCCn1cc[nH+]c1 ZINC000004841490 181161373 /nfs/dbraw/zinc/16/13/73/181161373.db2.gz OETXXBDBRLDIBQ-UHFFFAOYSA-N 1 2 315.598 3.686 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1c(C)cccc1C ZINC000005386496 181238049 /nfs/dbraw/zinc/23/80/49/181238049.db2.gz URLWDJWMQGWYES-INIZCTEOSA-N 1 2 324.424 3.655 50 0 DHAALO Cc1ocnc1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000193697457 201106116 /nfs/dbraw/zinc/10/61/16/201106116.db2.gz BKYMNYUSLRUFEK-UHFFFAOYSA-N 1 2 309.325 3.731 50 0 DHAALO Cc1ccc2[nH+]c(CSc3n[nH]c(-c4ccccc4)n3)cn2c1 ZINC000006465831 181342846 /nfs/dbraw/zinc/34/28/46/181342846.db2.gz OYFNKMQJSWZDIN-UHFFFAOYSA-N 1 2 321.409 3.720 50 0 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/nfs/dbraw/zinc/28/58/89/182285889.db2.gz QQTVVINJFFUEPF-INIZCTEOSA-N 1 2 316.401 3.678 50 0 DHAALO CCc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000021559666 182280473 /nfs/dbraw/zinc/28/04/73/182280473.db2.gz XSJKEPNCQLNAPP-QGZVFWFLSA-N 1 2 324.424 3.655 50 0 DHAALO Cc1ccc2[nH+]c(COc3cccc4c3OC(C)(C)C4)cn2c1 ZINC000040159305 183041246 /nfs/dbraw/zinc/04/12/46/183041246.db2.gz UNLCVKMUARZEDC-UHFFFAOYSA-N 1 2 308.381 3.935 50 0 DHAALO CCCCN(CC)C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000040527034 183093503 /nfs/dbraw/zinc/09/35/03/183093503.db2.gz SQFJIKPKSUZLBJ-UHFFFAOYSA-N 1 2 300.406 3.585 50 0 DHAALO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cccs2)n1 ZINC000041146301 183176110 /nfs/dbraw/zinc/17/61/10/183176110.db2.gz GSXHHYILYQHQSY-UHFFFAOYSA-N 1 2 310.382 3.699 50 0 DHAALO Cc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1C ZINC000042203590 183242034 /nfs/dbraw/zinc/24/20/34/183242034.db2.gz FKZVUPFQMGLCQM-IBGZPJMESA-N 1 2 305.425 3.916 50 0 DHAALO O=C(CCn1cc[nH+]c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000058202808 184087415 /nfs/dbraw/zinc/08/74/15/184087415.db2.gz ZCRPKFSKASOGSV-UHFFFAOYSA-N 1 2 317.698 3.584 50 0 DHAALO CC(C)OC(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000059387314 184138163 /nfs/dbraw/zinc/13/81/63/184138163.db2.gz RIEJIFKGHDJACK-UHFFFAOYSA-N 1 2 315.335 3.621 50 0 DHAALO CC(C)OC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000059387314 184138164 /nfs/dbraw/zinc/13/81/64/184138164.db2.gz RIEJIFKGHDJACK-UHFFFAOYSA-N 1 2 315.335 3.621 50 0 DHAALO c1ccc2c(c1)ccc1c2[C@H]2[NH2+][C@@H](c3cccnc3)OC[C@@H]2CO1 ZINC000063110705 184271348 /nfs/dbraw/zinc/27/13/48/184271348.db2.gz CVTVSDQCGJDMLX-RYGJVYDSSA-N 1 2 318.376 3.603 50 0 DHAALO Cc1ccc(OCCn2c[nH+]c3cc4c(cc32)OCCO4)cc1C ZINC000064794841 184303515 /nfs/dbraw/zinc/30/35/15/184303515.db2.gz JQRRSKPITZDXQJ-UHFFFAOYSA-N 1 2 324.380 3.503 50 0 DHAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065564701 184366347 /nfs/dbraw/zinc/36/63/47/184366347.db2.gz NEVQKUBIYZLIMZ-UWVGGRQHSA-N 1 2 305.344 3.702 50 0 DHAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065564701 184366348 /nfs/dbraw/zinc/36/63/48/184366348.db2.gz NEVQKUBIYZLIMZ-UWVGGRQHSA-N 1 2 305.344 3.702 50 0 DHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)s1 ZINC000241926432 256603603 /nfs/dbraw/zinc/60/36/03/256603603.db2.gz UGEDMKHJENWVRB-UHTWSYAYSA-N 1 2 313.850 3.708 50 0 DHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)s1 ZINC000241926432 256603605 /nfs/dbraw/zinc/60/36/05/256603605.db2.gz UGEDMKHJENWVRB-UHTWSYAYSA-N 1 2 313.850 3.708 50 0 DHAALO Cc1c2[nH+]c[nH]c2cc(NC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1C ZINC000426493154 257248349 /nfs/dbraw/zinc/24/83/49/257248349.db2.gz JHJVOIBFJWUYRJ-RDBSUJKOSA-N 1 2 310.401 3.513 50 0 DHAALO Cc1c2[nH]c[nH+]c2cc(NC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1C ZINC000426493154 257248351 /nfs/dbraw/zinc/24/83/51/257248351.db2.gz JHJVOIBFJWUYRJ-RDBSUJKOSA-N 1 2 310.401 3.513 50 0 DHAALO CC(C)C[N@H+](Cc1nncn1C)[C@@H](C)c1ccccc1Cl ZINC000408516298 257255419 /nfs/dbraw/zinc/25/54/19/257255419.db2.gz UEXGOUJECLLKNI-ZDUSSCGKSA-N 1 2 306.841 3.688 50 0 DHAALO CC(C)C[N@@H+](Cc1nncn1C)[C@@H](C)c1ccccc1Cl ZINC000408516298 257255420 /nfs/dbraw/zinc/25/54/20/257255420.db2.gz UEXGOUJECLLKNI-ZDUSSCGKSA-N 1 2 306.841 3.688 50 0 DHAALO CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000162253112 337383419 /nfs/dbraw/zinc/38/34/19/337383419.db2.gz YLMGLEPOBCOGPS-OAHLLOKOSA-N 1 2 305.422 3.511 50 0 DHAALO Cc1c[nH]cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000578005440 341968524 /nfs/dbraw/zinc/96/85/24/341968524.db2.gz ISFOFIQMMFNGFS-UHFFFAOYSA-N 1 2 320.396 3.775 50 0 DHAALO O=S(=O)(Nc1cc[nH+]cc1)c1ccc(Cl)c2ccccc21 ZINC000000234760 563232101 /nfs/dbraw/zinc/23/21/01/563232101.db2.gz HHLRMKANSLPWNI-UHFFFAOYSA-N 1 2 318.785 3.689 50 0 DHAALO COc1cccc(NC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1 ZINC000000469805 563259920 /nfs/dbraw/zinc/25/99/20/563259920.db2.gz ZZZNVZMIBLYSAK-UHFFFAOYSA-N 1 2 310.357 3.534 50 0 DHAALO CC[C@H]([NH2+]Cc1nnc(-c2cccs2)o1)c1c(C)noc1C ZINC000097374060 563337842 /nfs/dbraw/zinc/33/78/42/563337842.db2.gz PZDZCJDLJNLOGG-NSHDSACASA-N 1 2 318.402 3.644 50 0 DHAALO OCCCc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000012377781 563367774 /nfs/dbraw/zinc/36/77/74/563367774.db2.gz AIFXCTORQHHYBV-UHFFFAOYSA-N 1 2 300.789 3.663 50 0 DHAALO Cc1cccc(OCCCn2c(CCCO)[nH+]c3ccccc32)c1 ZINC000012438439 563370168 /nfs/dbraw/zinc/37/01/68/563370168.db2.gz BXSCUDIHBCXQBB-UHFFFAOYSA-N 1 2 324.424 3.739 50 0 DHAALO COc1cccc(NC(=S)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1 ZINC000032745071 563390252 /nfs/dbraw/zinc/39/02/52/563390252.db2.gz LWIAJXXUZHFMMN-UHFFFAOYSA-N 1 2 324.409 3.894 50 0 DHAALO CCOC(=O)[C@H]([NH3+])c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013859135 563390550 /nfs/dbraw/zinc/39/05/50/563390550.db2.gz BSGUUYVEWIQBEP-CQSZACIVSA-N 1 2 307.434 3.550 50 0 DHAALO COc1ccc(-c2nn(C[N@@H+]3CCCC[C@H]3C)c(=S)o2)cc1 ZINC000013942975 563392759 /nfs/dbraw/zinc/39/27/59/563392759.db2.gz HSMZZLMLBKCAII-GFCCVEGCSA-N 1 2 319.430 3.713 50 0 DHAALO COc1ccc(-c2nn(C[N@H+]3CCCC[C@H]3C)c(=S)o2)cc1 ZINC000013942975 563392761 /nfs/dbraw/zinc/39/27/61/563392761.db2.gz HSMZZLMLBKCAII-GFCCVEGCSA-N 1 2 319.430 3.713 50 0 DHAALO Clc1ccc2c(c1)ncnc2NCCCNc1cccc[nH+]1 ZINC000032935579 563415044 /nfs/dbraw/zinc/41/50/44/563415044.db2.gz RLZUPSRQPDIWHA-UHFFFAOYSA-N 1 2 313.792 3.592 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)c(F)c1 ZINC000022558444 563419312 /nfs/dbraw/zinc/41/93/12/563419312.db2.gz OXFWWFREBXRYNE-UHFFFAOYSA-N 1 2 311.360 3.685 50 0 DHAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccco1 ZINC000030276261 563436700 /nfs/dbraw/zinc/43/67/00/563436700.db2.gz RZXIVAUNXCQDNV-JTQLQIEISA-N 1 2 310.756 3.531 50 0 DHAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccco1 ZINC000030276261 563436704 /nfs/dbraw/zinc/43/67/04/563436704.db2.gz RZXIVAUNXCQDNV-JTQLQIEISA-N 1 2 310.756 3.531 50 0 DHAALO C[N@@H+]1/C(=C\C(=O)Nc2ccccc2)c2ccccc2CC1(C)C ZINC000031857524 563441285 /nfs/dbraw/zinc/44/12/85/563441285.db2.gz PANYDBOUIPAGQU-AQTBWJFISA-N 1 2 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CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121210250 563844357 /nfs/dbraw/zinc/84/43/57/563844357.db2.gz CRKKNZFLRSLYAA-SFHVURJKSA-N 1 2 324.424 3.673 50 0 DHAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000575619158 563867676 /nfs/dbraw/zinc/86/76/76/563867676.db2.gz IBSWXWPXAQYSOA-UHFFFAOYSA-N 1 2 318.380 3.534 50 0 DHAALO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1nccn1C ZINC000070443973 563904608 /nfs/dbraw/zinc/90/46/08/563904608.db2.gz RREYNVYAISWYOC-GHMZBOCLSA-N 1 2 308.223 3.594 50 0 DHAALO CC[C@@H](Nc1cnn(-c2ccccc2F)c1C)c1[nH+]ccn1C ZINC000170593084 563906954 /nfs/dbraw/zinc/90/69/54/563906954.db2.gz GCDYBARXUBNECV-CQSZACIVSA-N 1 2 313.380 3.617 50 0 DHAALO Cc1cc(Nc2ccc(CN3CCCC3=O)cc2)nc(C2CC2)[nH+]1 ZINC000089599408 563910761 /nfs/dbraw/zinc/91/07/61/563910761.db2.gz VLKIADBWUFMGAB-UHFFFAOYSA-N 1 2 322.412 3.528 50 0 DHAALO c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@H]1c1noc(C2CC2)n1 ZINC000076047498 563911935 /nfs/dbraw/zinc/91/19/35/563911935.db2.gz 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/nfs/dbraw/zinc/68/67/49/563686749.db2.gz ZQHLQRRYGUGAFO-CHWSQXEVSA-N 1 2 305.447 3.829 50 0 DHAALO CCO[C@H](C)c1nc(C[N@@H+](C)[C@H](C)c2ccncc2)cs1 ZINC000108090778 563686752 /nfs/dbraw/zinc/68/67/52/563686752.db2.gz ZQHLQRRYGUGAFO-CHWSQXEVSA-N 1 2 305.447 3.829 50 0 DHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000000074298 563213177 /nfs/dbraw/zinc/21/31/77/563213177.db2.gz DLJHKUKZXUWCQO-GJZGRUSLSA-N 1 2 321.428 3.606 50 0 DHAALO Cc1ccc(CSC2=[NH+]CN(Cc3ccccc3)CN2)cc1 ZINC000000145027 563224026 /nfs/dbraw/zinc/22/40/26/563224026.db2.gz NHFFNWPLUHEILP-UHFFFAOYSA-N 1 2 311.454 3.605 50 0 DHAALO Clc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1Cl ZINC000000239304 563232897 /nfs/dbraw/zinc/23/28/97/563232897.db2.gz GTLITTBKJOLKDN-UHFFFAOYSA-N 1 2 322.239 3.711 50 0 DHAALO C[C@@H]1C[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 ZINC000032757836 563391752 /nfs/dbraw/zinc/39/17/52/563391752.db2.gz LQLJNYDIYOLDIV-VXGBXAGGSA-N 1 2 306.793 3.604 50 0 DHAALO COc1ccccc1[C@@H](C)[N@H+](C)CC(=O)NC1CCCCCC1 ZINC000026332996 563425235 /nfs/dbraw/zinc/42/52/35/563425235.db2.gz JVERSMJILASAND-OAHLLOKOSA-N 1 2 318.461 3.527 50 0 DHAALO COc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)NC1CCCCCC1 ZINC000026332996 563425237 /nfs/dbraw/zinc/42/52/37/563425237.db2.gz JVERSMJILASAND-OAHLLOKOSA-N 1 2 318.461 3.527 50 0 DHAALO CNc1ncccc1C[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000055253348 563472760 /nfs/dbraw/zinc/47/27/60/563472760.db2.gz VETQDPMLMOHHTG-UHFFFAOYSA-N 1 2 313.426 3.980 50 0 DHAALO CNc1ncccc1C[N@H+](Cc1ccsc1)Cc1ccco1 ZINC000055253348 563472762 /nfs/dbraw/zinc/47/27/62/563472762.db2.gz VETQDPMLMOHHTG-UHFFFAOYSA-N 1 2 313.426 3.980 50 0 DHAALO Cc1ccc(C)c(N2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC000055291972 563473445 /nfs/dbraw/zinc/47/34/45/563473445.db2.gz NNAWWJOUSCALAS-UHFFFAOYSA-N 1 2 316.395 3.904 50 0 DHAALO CN(C)c1[nH+]cccc1CNc1ccc2cc(Cl)ccc2n1 ZINC000067846765 563492673 /nfs/dbraw/zinc/49/26/73/563492673.db2.gz VIDCLHHRTHGPHD-UHFFFAOYSA-N 1 2 312.804 3.961 50 0 DHAALO Cc1oc(-c2cccc(Cl)c2)nc1CN(C)Cc1[nH]cc[nH+]1 ZINC000067934165 563493548 /nfs/dbraw/zinc/49/35/48/563493548.db2.gz YDPURCXYWGBXFQ-UHFFFAOYSA-N 1 2 316.792 3.659 50 0 DHAALO CC(=O)NCCn1cc[nH+]c1-c1cccc(-c2ccccc2C)c1 ZINC000071775657 563500443 /nfs/dbraw/zinc/50/04/43/563500443.db2.gz QUBALBSUZUVCFR-UHFFFAOYSA-N 1 2 319.408 3.662 50 0 DHAALO Cc1ccccc1[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000072437486 563503784 /nfs/dbraw/zinc/50/37/84/563503784.db2.gz CMWQLZHTNPBFKN-INIZCTEOSA-N 1 2 319.408 3.731 50 0 DHAALO Cc1cc2c(cc1-c1[nH+]ccn1CCCc1ccco1)OCO2 ZINC000077470865 563510747 /nfs/dbraw/zinc/51/07/47/563510747.db2.gz VFGYRNHGXLZXGX-UHFFFAOYSA-N 1 2 310.353 3.813 50 0 DHAALO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 ZINC000097034640 563515988 /nfs/dbraw/zinc/51/59/88/563515988.db2.gz VWBQIEWXRWTJRA-GWCFXTLKSA-N 1 2 316.792 3.863 50 0 DHAALO COc1ccc(F)cc1-c1ccccc1OCCn1cc[nH+]c1 ZINC000096166764 563534979 /nfs/dbraw/zinc/53/49/79/563534979.db2.gz DDXHZHSQNMIACX-UHFFFAOYSA-N 1 2 312.344 3.777 50 0 DHAALO Cc1nc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)oc1C ZINC000078665118 563566055 /nfs/dbraw/zinc/56/60/55/563566055.db2.gz UMTWSUTXEKWICV-UHFFFAOYSA-N 1 2 320.820 3.740 50 0 DHAALO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1C ZINC000050448715 563587331 /nfs/dbraw/zinc/58/73/31/563587331.db2.gz LRJBFQZFERFCJE-HOCLYGCPSA-N 1 2 316.445 3.562 50 0 DHAALO CC(C)[C@@H]1C[N@H+](Cc2ccccc2)[C@H]2c3ccccc3C(=O)N12 ZINC000034379943 563623504 /nfs/dbraw/zinc/62/35/04/563623504.db2.gz DJNISVWULMFWDD-RBUKOAKNSA-N 1 2 306.409 3.681 50 0 DHAALO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)[C@H]2c3ccccc3C(=O)N12 ZINC000034379943 563623506 /nfs/dbraw/zinc/62/35/06/563623506.db2.gz DJNISVWULMFWDD-RBUKOAKNSA-N 1 2 306.409 3.681 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(C)CC2)c(C)c1 ZINC000000544692 563668689 /nfs/dbraw/zinc/66/86/89/563668689.db2.gz RBJDJFQVZKCMRN-UHFFFAOYSA-N 1 2 321.428 3.669 50 0 DHAALO Cc1cc2[nH+]cn(Cc3nnc(-c4ccccc4)o3)c2cc1C ZINC000036691610 563679126 /nfs/dbraw/zinc/67/91/26/563679126.db2.gz TZYZCUOUEMRWIY-UHFFFAOYSA-N 1 2 304.353 3.751 50 0 DHAALO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1Cl ZINC000048345342 563697127 /nfs/dbraw/zinc/69/71/27/563697127.db2.gz LPZPNKCYYNQMAE-UHFFFAOYSA-N 1 2 307.752 3.840 50 0 DHAALO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1Cl ZINC000048345342 563697129 /nfs/dbraw/zinc/69/71/29/563697129.db2.gz LPZPNKCYYNQMAE-UHFFFAOYSA-N 1 2 307.752 3.840 50 0 DHAALO COC(=O)Nc1cccc(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000128536093 563703556 /nfs/dbraw/zinc/70/35/56/563703556.db2.gz GMMOWZUZDQZJEW-INIZCTEOSA-N 1 2 322.368 3.790 50 0 DHAALO C[N@H+](Cc1cnc2ccccc2n1)Cc1ccc(F)c(F)c1F ZINC000216153329 563708170 /nfs/dbraw/zinc/70/81/70/563708170.db2.gz RYFUOWYTWHULPR-UHFFFAOYSA-N 1 2 317.314 3.679 50 0 DHAALO C[N@@H+](Cc1cnc2ccccc2n1)Cc1ccc(F)c(F)c1F ZINC000216153329 563708175 /nfs/dbraw/zinc/70/81/75/563708175.db2.gz RYFUOWYTWHULPR-UHFFFAOYSA-N 1 2 317.314 3.679 50 0 DHAALO COc1cccc2ccc(C[NH+]3CC(Oc4ccccc4)C3)nc21 ZINC000216529918 563710174 /nfs/dbraw/zinc/71/01/74/563710174.db2.gz QZRVWEHMUAAPKX-UHFFFAOYSA-N 1 2 320.392 3.507 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248144 563785531 /nfs/dbraw/zinc/78/55/31/563785531.db2.gz JASTZBTWLZYCLK-INIZCTEOSA-N 1 2 306.793 3.518 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248144 563785532 /nfs/dbraw/zinc/78/55/32/563785532.db2.gz JASTZBTWLZYCLK-INIZCTEOSA-N 1 2 306.793 3.518 50 0 DHAALO Cc1sc2ncnc(NCCc3cn4ccccc4[nH+]3)c2c1C ZINC000012507126 563796896 /nfs/dbraw/zinc/79/68/96/563796896.db2.gz UVAUODCYQFFMMY-UHFFFAOYSA-N 1 2 323.425 3.610 50 0 DHAALO CCc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012531868 563798191 /nfs/dbraw/zinc/79/81/91/563798191.db2.gz SWWDCDWUGUOIOG-SFHVURJKSA-N 1 2 319.408 3.502 50 0 DHAALO Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000012538831 563799234 /nfs/dbraw/zinc/79/92/34/563799234.db2.gz AOZOGRNDEJVEPN-KRWDZBQOSA-N 1 2 320.396 3.640 50 0 DHAALO Cc1cc(C)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000012601495 563803032 /nfs/dbraw/zinc/80/30/32/563803032.db2.gz NZHKSCJYSQVSAB-SFHVURJKSA-N 1 2 319.408 3.556 50 0 DHAALO CCCC[C@@H]1C=CCN1C(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000299800643 563806976 /nfs/dbraw/zinc/80/69/76/563806976.db2.gz XDXBPSUTIIDDDB-MRXNPFEDSA-N 1 2 323.440 3.871 50 0 DHAALO O=c1cc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)occ1O ZINC000084594638 563828194 /nfs/dbraw/zinc/82/81/94/563828194.db2.gz SWIUCNMUCCWIJS-KRWDZBQOSA-N 1 2 324.380 3.554 50 0 DHAALO O=c1cc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)occ1O ZINC000084594638 563828197 /nfs/dbraw/zinc/82/81/97/563828197.db2.gz SWIUCNMUCCWIJS-KRWDZBQOSA-N 1 2 324.380 3.554 50 0 DHAALO C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1[nH]cc[nH+]1 ZINC000084980617 563832000 /nfs/dbraw/zinc/83/20/00/563832000.db2.gz RIAHBVCEPWBTIH-LBPRGKRZSA-N 1 2 324.409 3.591 50 0 DHAALO Cc1ccc2c(c1)CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117575531 563864856 /nfs/dbraw/zinc/86/48/56/563864856.db2.gz JBNSRDQNBHPKFU-UHFFFAOYSA-N 1 2 317.392 3.774 50 0 DHAALO CCCCNc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001804713 563879206 /nfs/dbraw/zinc/87/92/06/563879206.db2.gz XWRUGPLHDYSYPX-UHFFFAOYSA-N 1 2 301.781 3.681 50 0 DHAALO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000000294013 563886670 /nfs/dbraw/zinc/88/66/70/563886670.db2.gz JBEXMIUBBWMBHN-UHFFFAOYSA-N 1 2 317.816 3.916 50 0 biogenic DHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000000294013 563886673 /nfs/dbraw/zinc/88/66/73/563886673.db2.gz JBEXMIUBBWMBHN-UHFFFAOYSA-N 1 2 317.816 3.916 50 0 biogenic DHAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000007200544 563904263 /nfs/dbraw/zinc/90/42/63/563904263.db2.gz ZRDNPSDUUPCZLR-WBVHZDCISA-N 1 2 311.429 3.526 50 0 DHAALO COc1cccc(N[C@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)c1 ZINC000170603324 563907352 /nfs/dbraw/zinc/90/73/52/563907352.db2.gz DEBCQHDWSMHTMO-MRXNPFEDSA-N 1 2 314.433 3.732 50 0 DHAALO Cc1ccccc1-c1nc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000013322575 563909510 /nfs/dbraw/zinc/90/95/10/563909510.db2.gz DWKWOUORGYJLMO-ZIAGYGMSSA-N 1 2 302.443 3.728 50 0 DHAALO c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000076047495 563912010 /nfs/dbraw/zinc/91/20/10/563912010.db2.gz ZNUHIUMKETWNCW-MRXNPFEDSA-N 1 2 320.396 3.832 50 0 DHAALO c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000076047495 563912011 /nfs/dbraw/zinc/91/20/11/563912011.db2.gz ZNUHIUMKETWNCW-MRXNPFEDSA-N 1 2 320.396 3.832 50 0 DHAALO Cc1ccccc1C[N@@H+]1CCN(c2ccccc2C)C(=O)[C@H]1C ZINC000037520196 563918391 /nfs/dbraw/zinc/91/83/91/563918391.db2.gz LOZGIWXDXJOGME-QGZVFWFLSA-N 1 2 308.425 3.541 50 0 DHAALO Cc1ccccc1C[N@H+]1CCN(c2ccccc2C)C(=O)[C@H]1C ZINC000037520196 563918392 /nfs/dbraw/zinc/91/83/92/563918392.db2.gz LOZGIWXDXJOGME-QGZVFWFLSA-N 1 2 308.425 3.541 50 0 DHAALO c1nc(C[NH+]2CCN(c3ccccc3)CC2)oc1-c1ccccc1 ZINC000095950302 563932146 /nfs/dbraw/zinc/93/21/46/563932146.db2.gz VTOQRROVVPDIIF-UHFFFAOYSA-N 1 2 319.408 3.664 50 0 DHAALO CC[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1nccs1 ZINC000095988333 563934183 /nfs/dbraw/zinc/93/41/83/563934183.db2.gz SRLSAXZJLRMEBR-JTQLQIEISA-N 1 2 301.337 3.798 50 0 DHAALO Cc1cccc(NC(=O)CCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000096102074 563935266 /nfs/dbraw/zinc/93/52/66/563935266.db2.gz MHADAZXSQSTGFJ-UHFFFAOYSA-N 1 2 309.413 3.562 50 0 DHAALO Cc1ccc(NC(=O)CCc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC000096102077 563935271 /nfs/dbraw/zinc/93/52/71/563935271.db2.gz YRAKYXLLFQOONH-UHFFFAOYSA-N 1 2 323.440 3.870 50 0 DHAALO Fc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccnc3)no2)cc1 ZINC000055528400 563936340 /nfs/dbraw/zinc/93/63/40/563936340.db2.gz GEIGLZKIRHJTRI-MRXNPFEDSA-N 1 2 324.359 3.608 50 0 DHAALO Fc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccnc3)no2)cc1 ZINC000055528400 563936341 /nfs/dbraw/zinc/93/63/41/563936341.db2.gz GEIGLZKIRHJTRI-MRXNPFEDSA-N 1 2 324.359 3.608 50 0 DHAALO Cc1nnc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000096493205 563937353 /nfs/dbraw/zinc/93/73/53/563937353.db2.gz OQMVPTATLXXRSO-AWEZNQCLSA-N 1 2 311.307 3.638 50 0 DHAALO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(F)cc1F ZINC000066969995 563948264 /nfs/dbraw/zinc/94/82/64/563948264.db2.gz FCOLKADTFPFRFD-NSHDSACASA-N 1 2 301.340 3.702 50 0 DHAALO Cc1ccc(NC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000008395151 563948483 /nfs/dbraw/zinc/94/84/83/563948483.db2.gz CHQZLRZBCPXELZ-UHFFFAOYSA-N 1 2 316.430 3.691 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(C)CC2)cc1C ZINC000008583065 563949216 /nfs/dbraw/zinc/94/92/16/563949216.db2.gz PHSDTAWEYBSZTC-UHFFFAOYSA-N 1 2 321.428 3.669 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000008583012 563949230 /nfs/dbraw/zinc/94/92/30/563949230.db2.gz VGYRPIDHIZEFMD-UHFFFAOYSA-N 1 2 307.401 3.504 50 0 DHAALO CC[N@H+](Cc1nnc(-c2cccs2)o1)Cc1cccc(F)c1 ZINC000070009613 563955652 /nfs/dbraw/zinc/95/56/52/563955652.db2.gz OCQGXNHVTJLWJC-UHFFFAOYSA-N 1 2 317.389 3.959 50 0 DHAALO CC[N@@H+](Cc1nnc(-c2cccs2)o1)Cc1cccc(F)c1 ZINC000070009613 563955653 /nfs/dbraw/zinc/95/56/53/563955653.db2.gz OCQGXNHVTJLWJC-UHFFFAOYSA-N 1 2 317.389 3.959 50 0 DHAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000009627496 563957100 /nfs/dbraw/zinc/95/71/00/563957100.db2.gz OUBLMXXZIPVJTQ-UHFFFAOYSA-N 1 2 321.428 3.813 50 0 DHAALO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010339811 563958470 /nfs/dbraw/zinc/95/84/70/563958470.db2.gz TWZOCONODCUIJH-LJQANCHMSA-N 1 2 322.408 3.665 50 0 DHAALO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000010339811 563958472 /nfs/dbraw/zinc/95/84/72/563958472.db2.gz TWZOCONODCUIJH-LJQANCHMSA-N 1 2 322.408 3.665 50 0 DHAALO Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000081091987 568414144 /nfs/dbraw/zinc/41/41/44/568414144.db2.gz ZNIXMOAQOPJYJV-GFCCVEGCSA-N 1 2 318.808 3.783 50 0 DHAALO COc1ccc(F)c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000293726402 1021614079 /nfs/dbraw/zinc/61/40/79/1021614079.db2.gz YVNBTPKOPCXHDB-UHFFFAOYSA-N 1 2 306.406 3.850 50 0 DHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)C3CCCCC3)C2)n1C(C)C ZINC000581816567 1021854885 /nfs/dbraw/zinc/85/48/85/1021854885.db2.gz ZQTPNOSWSWYPSH-INIZCTEOSA-N 1 2 303.450 3.669 50 0 DHAALO Cc1ccc(/C=C/c2nc(=S)n(C[N@H+]3CCC[C@H](C)C3)[nH]2)o1 ZINC000014186821 1022300037 /nfs/dbraw/zinc/30/00/37/1022300037.db2.gz JCDPTNXRJLORIX-GUOLPTJISA-N 1 2 318.446 3.702 50 0 DHAALO Cc1ccc(/C=C/c2nc(=S)n(C[N@@H+]3CCC[C@H](C)C3)[nH]2)o1 ZINC000014186821 1022300057 /nfs/dbraw/zinc/30/00/57/1022300057.db2.gz JCDPTNXRJLORIX-GUOLPTJISA-N 1 2 318.446 3.702 50 0 DHAALO CCOc1ccc(Cl)cc1CN(C)Cc1c[nH+]cn1C1CC1 ZINC000252490414 1026156963 /nfs/dbraw/zinc/15/69/63/1026156963.db2.gz KSXGJEXXAZEWIK-UHFFFAOYSA-N 1 2 319.836 3.902 50 0 DHAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2C)c1OC ZINC000095529421 185378767 /nfs/dbraw/zinc/37/87/67/185378767.db2.gz AAWATGOYNNFEKV-LJQANCHMSA-N 1 2 322.408 3.762 50 0 DHAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C)c1OC ZINC000095529421 185378768 /nfs/dbraw/zinc/37/87/68/185378768.db2.gz AAWATGOYNNFEKV-LJQANCHMSA-N 1 2 322.408 3.762 50 0 DHAALO Cc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2Br)o1 ZINC000095428171 185362270 /nfs/dbraw/zinc/36/22/70/185362270.db2.gz DYHMSEFFGOWKJL-JTQLQIEISA-N 1 2 310.191 3.907 50 0 DHAALO CCc1nc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000095422161 185360959 /nfs/dbraw/zinc/36/09/59/185360959.db2.gz WVUIOJNRRWLASF-NSHDSACASA-N 1 2 307.438 3.761 50 0 DHAALO CC[C@H](C)[C@H]([NH2+]Cc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC000095467214 185372055 /nfs/dbraw/zinc/37/20/55/185372055.db2.gz BNUUAWZSFYSCEG-BBRMVZONSA-N 1 2 307.434 3.541 50 0 DHAALO O=C(C=C1CCCCC1)NCc1ccc[nH+]c1N1CCCCC1 ZINC000068911809 190788855 /nfs/dbraw/zinc/78/88/55/190788855.db2.gz LMEGGJSZVZKQQT-UHFFFAOYSA-N 1 2 313.445 3.579 50 0 DHAALO CC(C)c1nccc(C[N@H+](C)Cc2cc(-c3ccccc3)no2)n1 ZINC000072125496 191041454 /nfs/dbraw/zinc/04/14/54/191041454.db2.gz FAJZOWXROYYVCI-UHFFFAOYSA-N 1 2 322.412 3.887 50 0 DHAALO CC(C)c1nccc(C[N@@H+](C)Cc2cc(-c3ccccc3)no2)n1 ZINC000072125496 191041457 /nfs/dbraw/zinc/04/14/57/191041457.db2.gz FAJZOWXROYYVCI-UHFFFAOYSA-N 1 2 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WVPSOYMENNTTDR-GFCCVEGCSA-N 1 2 323.799 3.792 50 0 DHAALO CC(C)c1nnsc1C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000252483678 563783820 /nfs/dbraw/zinc/78/38/20/563783820.db2.gz FGVGOJRDALRHIN-CQSZACIVSA-N 1 2 302.447 3.784 50 0 DHAALO CC(C)c1nnsc1C[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000252483678 563783824 /nfs/dbraw/zinc/78/38/24/563783824.db2.gz FGVGOJRDALRHIN-CQSZACIVSA-N 1 2 302.447 3.784 50 0 DHAALO Cc1cccn2cc(C[S@@](=O)[C@H](C)c3cccs3)[nH+]c12 ZINC000079053187 563930249 /nfs/dbraw/zinc/93/02/49/563930249.db2.gz IWDPCBFQZWROMG-ODXCJYRJSA-N 1 2 304.440 3.714 50 0 DHAALO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000070011858 563955594 /nfs/dbraw/zinc/95/55/94/563955594.db2.gz ROBSJNXUXCFUJH-SNVBAGLBSA-N 1 2 313.323 3.844 50 0 DHAALO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000070011858 563955596 /nfs/dbraw/zinc/95/55/96/563955596.db2.gz ROBSJNXUXCFUJH-SNVBAGLBSA-N 1 2 313.323 3.844 50 0 DHAALO CN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2[nH+]1 ZINC000000172594 563227350 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ZINC000026332998 563424953 /nfs/dbraw/zinc/42/49/53/563424953.db2.gz JVERSMJILASAND-HNNXBMFYSA-N 1 2 318.461 3.527 50 0 DHAALO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)NC1CCCCCC1 ZINC000026332998 563424956 /nfs/dbraw/zinc/42/49/56/563424956.db2.gz JVERSMJILASAND-HNNXBMFYSA-N 1 2 318.461 3.527 50 0 DHAALO Cc1ccc(F)cc1NC(=O)c1cc(F)ccc1-n1cc[nH+]c1 ZINC000072292847 563437694 /nfs/dbraw/zinc/43/76/94/563437694.db2.gz UHSLTJVXDMVFBK-UHFFFAOYSA-N 1 2 313.307 3.711 50 0 DHAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)C2CC2)c1 ZINC000033019636 563464456 /nfs/dbraw/zinc/46/44/56/563464456.db2.gz FSIPGTFELXOHKK-UHFFFAOYSA-N 1 2 319.408 3.707 50 0 DHAALO Clc1ccc(NCc2cc(C[NH+]3CCOCC3)cs2)cc1 ZINC000045796094 563465670 /nfs/dbraw/zinc/46/56/70/563465670.db2.gz MTVAONQABCKJQB-UHFFFAOYSA-N 1 2 322.861 3.846 50 0 DHAALO CCn1nc(C)c(C[N@H+](CC)Cc2cc(C(C)(C)C)n[nH]2)c1C ZINC000055270668 563473720 /nfs/dbraw/zinc/47/37/20/563473720.db2.gz FOZALYYFIKALSQ-UHFFFAOYSA-N 1 2 317.481 3.563 50 0 DHAALO CCn1nc(C)c(C[N@@H+](CC)Cc2cc(C(C)(C)C)n[nH]2)c1C ZINC000055270668 563473724 /nfs/dbraw/zinc/47/37/24/563473724.db2.gz FOZALYYFIKALSQ-UHFFFAOYSA-N 1 2 317.481 3.563 50 0 DHAALO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000055292357 563473842 /nfs/dbraw/zinc/47/38/42/563473842.db2.gz WZTSUSYKIPJROS-UHFFFAOYSA-N 1 2 316.395 3.904 50 0 DHAALO Cc1nc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)oc1C ZINC000096470284 563483459 /nfs/dbraw/zinc/48/34/59/563483459.db2.gz PXSFSOZXWAAVSU-UHFFFAOYSA-N 1 2 314.307 3.822 50 0 DHAALO Cc1nc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)oc1C ZINC000096470284 563483461 /nfs/dbraw/zinc/48/34/61/563483461.db2.gz PXSFSOZXWAAVSU-UHFFFAOYSA-N 1 2 314.307 3.822 50 0 DHAALO Cn1cc[nH+]c1-c1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000063847325 563485567 /nfs/dbraw/zinc/48/55/67/563485567.db2.gz BOUQUWVLSPNPAC-UHFFFAOYSA-N 1 2 301.353 3.539 50 0 DHAALO CC[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ncccc1C ZINC000065406697 563486956 /nfs/dbraw/zinc/48/69/56/563486956.db2.gz BKHZIGLLQGFSGH-HNNXBMFYSA-N 1 2 311.433 3.734 50 0 DHAALO CC[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ncccc1C ZINC000065406697 563486959 /nfs/dbraw/zinc/48/69/59/563486959.db2.gz BKHZIGLLQGFSGH-HNNXBMFYSA-N 1 2 311.433 3.734 50 0 DHAALO Cc1ccsc1-c1cn(CCCc2[nH]c3ccccc3[nH+]2)nn1 ZINC000067851086 563492386 /nfs/dbraw/zinc/49/23/86/563492386.db2.gz BLDKWDHBBICCBG-UHFFFAOYSA-N 1 2 323.425 3.824 50 0 DHAALO Cc1cn(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)c[nH+]1 ZINC000072149391 563502817 /nfs/dbraw/zinc/50/28/17/563502817.db2.gz ZAAOWDXMKVFRFG-UHFFFAOYSA-N 1 2 322.412 3.791 50 0 DHAALO CCCCOC(=O)N1CCC[C@@H](c2[nH+]ccn2CCCC)C1 ZINC000095379581 563529913 /nfs/dbraw/zinc/52/99/13/563529913.db2.gz SRQCNUXWTCVDQU-OAHLLOKOSA-N 1 2 307.438 3.799 50 0 DHAALO CC(C)[C@@H]1C[N@H+](Cc2ccccc2)[C@@]2(C)c3ccccc3C(=O)N12 ZINC000033704901 563596477 /nfs/dbraw/zinc/59/64/77/563596477.db2.gz VYARWIQLNHRAML-PZJWPPBQSA-N 1 2 320.436 3.856 50 0 DHAALO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)[C@@]2(C)c3ccccc3C(=O)N12 ZINC000033704901 563596479 /nfs/dbraw/zinc/59/64/79/563596479.db2.gz VYARWIQLNHRAML-PZJWPPBQSA-N 1 2 320.436 3.856 50 0 DHAALO Cc1ccc([C@@H]2CCCCN2c2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000079017339 563617905 /nfs/dbraw/zinc/61/79/05/563617905.db2.gz DNXBAHJVPBKPKD-KRWDZBQOSA-N 1 2 319.412 3.702 50 0 DHAALO CCOC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000000238528 563628666 /nfs/dbraw/zinc/62/86/66/563628666.db2.gz FFCKEAAJZUQHEC-UHFFFAOYSA-N 1 2 316.228 3.769 50 0 DHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1C ZINC000003140918 563635569 /nfs/dbraw/zinc/63/55/69/563635569.db2.gz DXGPPDFIZTWUSW-MRXNPFEDSA-N 1 2 324.424 3.737 50 0 DHAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ccccc2)cc1F ZINC000047103155 563678532 /nfs/dbraw/zinc/67/85/32/563678532.db2.gz ZUPXBYOZWRGSPD-AWEZNQCLSA-N 1 2 323.371 3.508 50 0 DHAALO CCO[C@@H](C)c1nc(C[N@@H+]2CCS[C@H](CC)C2)cs1 ZINC000110642190 563679067 /nfs/dbraw/zinc/67/90/67/563679067.db2.gz WHGHSJUVDVVJQZ-WCQYABFASA-N 1 2 300.493 3.568 50 0 DHAALO CCO[C@@H](C)c1nc(C[N@H+]2CCS[C@H](CC)C2)cs1 ZINC000110642190 563679068 /nfs/dbraw/zinc/67/90/68/563679068.db2.gz WHGHSJUVDVVJQZ-WCQYABFASA-N 1 2 300.493 3.568 50 0 DHAALO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC000110633022 563679121 /nfs/dbraw/zinc/67/91/21/563679121.db2.gz PPBJXTHUINBKFI-DZKIICNBSA-N 1 2 315.417 3.599 50 0 DHAALO CCc1noc(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000048303117 563695756 /nfs/dbraw/zinc/69/57/56/563695756.db2.gz NRLKGHCAZUFCGL-GOSISDBHSA-N 1 2 319.408 3.780 50 0 DHAALO CCc1noc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000048303117 563695757 /nfs/dbraw/zinc/69/57/57/563695757.db2.gz NRLKGHCAZUFCGL-GOSISDBHSA-N 1 2 319.408 3.780 50 0 DHAALO C[C@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)n1cc[nH+]c1 ZINC000048333352 563696428 /nfs/dbraw/zinc/69/64/28/563696428.db2.gz KJGZGQWPECOTKO-IUODEOHRSA-N 1 2 303.431 3.553 50 0 DHAALO COC[C@@H](c1ccccn1)[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000215149208 563704679 /nfs/dbraw/zinc/70/46/79/563704679.db2.gz RNCGUBKTRGYSFH-IBGZPJMESA-N 1 2 323.396 3.556 50 0 DHAALO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000215149208 563704681 /nfs/dbraw/zinc/70/46/81/563704681.db2.gz RNCGUBKTRGYSFH-IBGZPJMESA-N 1 2 323.396 3.556 50 0 DHAALO COc1cc(Cl)c(C[NH+]2CCC(F)(F)CC2)cc1OC ZINC000215559661 563706538 /nfs/dbraw/zinc/70/65/38/563706538.db2.gz JBWUUIZDOIZLGX-UHFFFAOYSA-N 1 2 305.752 3.588 50 0 DHAALO CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000225443907 563755349 /nfs/dbraw/zinc/75/53/49/563755349.db2.gz BZQKFFNPAXDRNA-INIZCTEOSA-N 1 2 311.429 3.771 50 0 DHAALO O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000241644316 563777398 /nfs/dbraw/zinc/77/73/98/563777398.db2.gz PPXCQJGHBCRYQL-WBVHZDCISA-N 1 2 309.413 3.583 50 0 DHAALO O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000241644313 563777473 /nfs/dbraw/zinc/77/74/73/563777473.db2.gz PPXCQJGHBCRYQL-DOTOQJQBSA-N 1 2 309.413 3.583 50 0 DHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000012813366 563836368 /nfs/dbraw/zinc/83/63/68/563836368.db2.gz WZNDQVBLLIQLRB-MRXNPFEDSA-N 1 2 316.351 3.568 50 0 DHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000012813366 563836372 /nfs/dbraw/zinc/83/63/72/563836372.db2.gz WZNDQVBLLIQLRB-MRXNPFEDSA-N 1 2 316.351 3.568 50 0 DHAALO COc1ccc(C(=O)C[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000085473472 563838252 /nfs/dbraw/zinc/83/82/52/563838252.db2.gz JTCFLVAFDUNWTP-UHFFFAOYSA-N 1 2 315.438 3.819 50 0 DHAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccsc2)c(C)c1 ZINC000012882389 563851850 /nfs/dbraw/zinc/85/18/50/563851850.db2.gz AOKYEWGANOYNSI-UHFFFAOYSA-N 1 2 302.443 3.744 50 0 DHAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccsc2)c(C)c1 ZINC000012882389 563851853 /nfs/dbraw/zinc/85/18/53/563851853.db2.gz AOKYEWGANOYNSI-UHFFFAOYSA-N 1 2 302.443 3.744 50 0 DHAALO C[C@H]1C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 ZINC000091088554 563877532 /nfs/dbraw/zinc/87/75/32/563877532.db2.gz TZXGUFGXHSCVIA-LBPRGKRZSA-N 1 2 320.820 3.994 50 0 DHAALO C[C@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 ZINC000091088554 563877535 /nfs/dbraw/zinc/87/75/35/563877535.db2.gz TZXGUFGXHSCVIA-LBPRGKRZSA-N 1 2 320.820 3.994 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1cccs1 ZINC000036783953 563904192 /nfs/dbraw/zinc/90/41/92/563904192.db2.gz KWDACHFSDZVWGK-GFCCVEGCSA-N 1 2 313.426 3.538 50 0 DHAALO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccc(Br)cc1 ZINC000037886423 563930453 /nfs/dbraw/zinc/93/04/53/563930453.db2.gz OMCVDSWLSNYPJR-AWEZNQCLSA-N 1 2 308.223 3.722 50 0 DHAALO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000170607204 563907712 /nfs/dbraw/zinc/90/77/12/563907712.db2.gz QFTINGOVVRYVEE-KSSFIOAISA-N 1 2 301.430 3.551 50 0 DHAALO CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000170607204 563907714 /nfs/dbraw/zinc/90/77/14/563907714.db2.gz QFTINGOVVRYVEE-KSSFIOAISA-N 1 2 301.430 3.551 50 0 DHAALO Cc1noc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089718523 563911171 /nfs/dbraw/zinc/91/11/71/563911171.db2.gz DDARGRTXHGLUDN-GFCCVEGCSA-N 1 2 308.385 3.710 50 0 DHAALO Cc1noc([C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089718523 563911172 /nfs/dbraw/zinc/91/11/72/563911172.db2.gz DDARGRTXHGLUDN-GFCCVEGCSA-N 1 2 308.385 3.710 50 0 DHAALO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000089884661 563911973 /nfs/dbraw/zinc/91/19/73/563911973.db2.gz OQDNUAFHHHXOCE-INIZCTEOSA-N 1 2 324.359 3.608 50 0 DHAALO Fc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000089884661 563911974 /nfs/dbraw/zinc/91/19/74/563911974.db2.gz OQDNUAFHHHXOCE-INIZCTEOSA-N 1 2 324.359 3.608 50 0 DHAALO Cc1cc(NC(=O)c2ccc(Cl)o2)c[nH+]c1N1CCCCC1 ZINC000095986355 563934091 /nfs/dbraw/zinc/93/40/91/563934091.db2.gz PACFBGXLVMGACC-UHFFFAOYSA-N 1 2 319.792 3.879 50 0 DHAALO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1Cl ZINC000096125826 563935699 /nfs/dbraw/zinc/93/56/99/563935699.db2.gz UZQBXKSKHQNRRO-KRWDZBQOSA-N 1 2 316.832 3.601 50 0 DHAALO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1Cl ZINC000096125826 563935701 /nfs/dbraw/zinc/93/57/01/563935701.db2.gz UZQBXKSKHQNRRO-KRWDZBQOSA-N 1 2 316.832 3.601 50 0 DHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc2ccccn2c1 ZINC000281976787 563935787 /nfs/dbraw/zinc/93/57/87/563935787.db2.gz YXTNAXUFAGFNGO-QGZVFWFLSA-N 1 2 322.412 3.523 50 0 DHAALO FC(F)(F)COc1ccc(Cl)cc1NCc1[nH]cc[nH+]1 ZINC000096482768 563937520 /nfs/dbraw/zinc/93/75/20/563937520.db2.gz NJHRRGAGOGGBHG-UHFFFAOYSA-N 1 2 305.687 3.616 50 0 DHAALO O=C(C[N@@H+]1CCc2sccc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000057830312 563942769 /nfs/dbraw/zinc/94/27/69/563942769.db2.gz UGILNLKBGPOZOC-UHFFFAOYSA-N 1 2 315.482 3.892 50 0 DHAALO O=C(C[N@H+]1CCc2sccc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000057830312 563942771 /nfs/dbraw/zinc/94/27/71/563942771.db2.gz UGILNLKBGPOZOC-UHFFFAOYSA-N 1 2 315.482 3.892 50 0 DHAALO Cc1cccc(N2CC[NH+](CC(=O)c3cc(C)ccc3C)CC2)c1 ZINC000067206400 563948571 /nfs/dbraw/zinc/94/85/71/563948571.db2.gz UIHBYTQVDQWZDQ-UHFFFAOYSA-N 1 2 322.452 3.617 50 0 DHAALO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccncc3F)cc2[nH+]1 ZINC000172824068 563951404 /nfs/dbraw/zinc/95/14/04/563951404.db2.gz DYVQFTNVDLOCAL-UHFFFAOYSA-N 1 2 312.348 3.647 50 0 DHAALO C[C@@H](Nc1ccc2ccccc2[nH+]1)c1ccc2c(c1)NC(=O)CO2 ZINC000069153684 563951890 /nfs/dbraw/zinc/95/18/90/563951890.db2.gz JEOQLVCQSPRPGB-GFCCVEGCSA-N 1 2 319.364 3.739 50 0 DHAALO CCn1c2cccc(F)c2nc1C[N@H+](C)Cc1cnc(C)s1 ZINC000069533141 563953430 /nfs/dbraw/zinc/95/34/30/563953430.db2.gz LJQNQSIVZDDLGW-UHFFFAOYSA-N 1 2 318.421 3.592 50 0 DHAALO CCn1c2cccc(F)c2nc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000069533141 563953431 /nfs/dbraw/zinc/95/34/31/563953431.db2.gz LJQNQSIVZDDLGW-UHFFFAOYSA-N 1 2 318.421 3.592 50 0 DHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cnn(C)c3)co2)cc1 ZINC000071799296 563958869 /nfs/dbraw/zinc/95/88/69/563958869.db2.gz CTTKIBUPRMRZRI-SFHVURJKSA-N 1 2 322.412 3.721 50 0 DHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cnn(C)c3)co2)cc1 ZINC000071799296 563958870 /nfs/dbraw/zinc/95/88/70/563958870.db2.gz CTTKIBUPRMRZRI-SFHVURJKSA-N 1 2 322.412 3.721 50 0 DHAALO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000078553094 563961194 /nfs/dbraw/zinc/96/11/94/563961194.db2.gz BBCDLWFIFMYSLP-SNVBAGLBSA-N 1 2 306.479 3.642 50 0 DHAALO C[N@@H+]1CCc2c(c3cc(F)ccc3n2/C=C/c2ccncc2)C1 ZINC000075567513 568418782 /nfs/dbraw/zinc/41/87/82/568418782.db2.gz RZNJWVKDPLJHOA-IZZDOVSWSA-N 1 2 307.372 3.791 50 0 DHAALO C[N@H+]1CCc2c(c3cc(F)ccc3n2/C=C/c2ccncc2)C1 ZINC000075567513 568418784 /nfs/dbraw/zinc/41/87/84/568418784.db2.gz RZNJWVKDPLJHOA-IZZDOVSWSA-N 1 2 307.372 3.791 50 0 DHAALO C[N@@H+]1CCc2c(c3cc(F)ccc3n2/C=C\c2cccnc2)C1 ZINC000075567514 568418787 /nfs/dbraw/zinc/41/87/87/568418787.db2.gz FKWDGWBIKDVBNA-POHAHGRESA-N 1 2 307.372 3.791 50 0 DHAALO C[N@H+]1CCc2c(c3cc(F)ccc3n2/C=C\c2cccnc2)C1 ZINC000075567514 568418789 /nfs/dbraw/zinc/41/87/89/568418789.db2.gz FKWDGWBIKDVBNA-POHAHGRESA-N 1 2 307.372 3.791 50 0 DHAALO Cc1cc(C[N@@H+](C)Cc2cc3ccnc(Cl)c3s2)no1 ZINC000585136757 1022998548 /nfs/dbraw/zinc/99/85/48/1022998548.db2.gz RHXMOISSIMEOMZ-UHFFFAOYSA-N 1 2 307.806 3.878 50 0 DHAALO Cc1cc(C[N@H+](C)Cc2cc3ccnc(Cl)c3s2)no1 ZINC000585136757 1022998541 /nfs/dbraw/zinc/99/85/41/1022998541.db2.gz RHXMOISSIMEOMZ-UHFFFAOYSA-N 1 2 307.806 3.878 50 0 DHAALO Clc1nccc2oc(C[NH2+]Cc3noc4c3CCCC4)cc21 ZINC000585136535 1022999197 /nfs/dbraw/zinc/99/91/97/1022999197.db2.gz JWVUTBCOBCYKDG-UHFFFAOYSA-N 1 2 317.776 3.638 50 0 DHAALO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC000585116951 1029774619 /nfs/dbraw/zinc/77/46/19/1029774619.db2.gz NFTYIHNFJZUUEI-SNVBAGLBSA-N 1 2 316.792 3.510 50 0 DHAALO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000585116951 1029774625 /nfs/dbraw/zinc/77/46/25/1029774625.db2.gz NFTYIHNFJZUUEI-SNVBAGLBSA-N 1 2 316.792 3.510 50 0 DHAALO O=C(Nc1c(F)cc(F)cc1F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088391614 185248244 /nfs/dbraw/zinc/24/82/44/185248244.db2.gz DDPHXFIGCBERGG-LBPRGKRZSA-N 1 2 324.306 3.586 50 0 DHAALO Cc1nn(C)cc1[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000090090104 185281406 /nfs/dbraw/zinc/28/14/06/185281406.db2.gz QYWAAXOUMYDHBM-LBPRGKRZSA-N 1 2 301.438 3.938 50 0 DHAALO S=c1[nH]c(C=Cc2ccccc2)nn1C[NH+]1CCCCC1 ZINC000096973107 185395033 /nfs/dbraw/zinc/39/50/33/185395033.db2.gz NPWDDGLWGWQNRS-KTKRTIGZSA-N 1 2 300.431 3.554 50 0 DHAALO CCO[C@H](C)c1nc(CN(C)c2nc(C)[nH+]c(C)c2C)cs1 ZINC000095416553 185359171 /nfs/dbraw/zinc/35/91/71/185359171.db2.gz QLLLPXJNNINSIL-GFCCVEGCSA-N 1 2 320.462 3.592 50 0 DHAALO CC(C)c1ncc(C(=O)Nc2ccccc2-c2[nH]cc[nH+]2)s1 ZINC000095431014 185363205 /nfs/dbraw/zinc/36/32/05/185363205.db2.gz TVYWJHPDPYGSPE-UHFFFAOYSA-N 1 2 312.398 3.909 50 0 DHAALO CC(C)(C)c1cc(N2CCC[C@@H]2C(C)(C)O)nc(C(C)(C)C)[nH+]1 ZINC000095450203 185368772 /nfs/dbraw/zinc/36/87/72/185368772.db2.gz RYCNSLKTSNETIG-CQSZACIVSA-N 1 2 319.493 3.811 50 0 DHAALO C[C@@H](Cc1ccccc1)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095456256 185370159 /nfs/dbraw/zinc/37/01/59/185370159.db2.gz PYZBDDAPIJTLSZ-HNNXBMFYSA-N 1 2 306.365 3.660 50 0 DHAALO c1coc(-c2cccc(-c3[nH+]ccn3CCc3cnccn3)c2)c1 ZINC000071661401 191000833 /nfs/dbraw/zinc/00/08/33/191000833.db2.gz IDEMKJFWGNUICO-UHFFFAOYSA-N 1 2 316.364 3.843 50 0 DHAALO Cn1ncc(C[N@H+](C)Cc2cc(-c3ccccc3)no2)c1C1CC1 ZINC000072164350 191063459 /nfs/dbraw/zinc/06/34/59/191063459.db2.gz HNIFHBSFEOQUFD-UHFFFAOYSA-N 1 2 322.412 3.585 50 0 DHAALO Cn1ncc(C[N@@H+](C)Cc2cc(-c3ccccc3)no2)c1C1CC1 ZINC000072164350 191063461 /nfs/dbraw/zinc/06/34/61/191063461.db2.gz HNIFHBSFEOQUFD-UHFFFAOYSA-N 1 2 322.412 3.585 50 0 DHAALO c1cn(Cc2ccccc2-n2cc[nH+]c2)c(-c2ccsc2)n1 ZINC000072163403 191064194 /nfs/dbraw/zinc/06/41/94/191064194.db2.gz IVARBOMYWOUNOC-UHFFFAOYSA-N 1 2 306.394 3.846 50 0 DHAALO CC(C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000072423103 191158265 /nfs/dbraw/zinc/15/82/65/191158265.db2.gz KADSUIJRJVZUKV-KRWDZBQOSA-N 1 2 311.429 3.556 50 0 DHAALO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCCCC1 ZINC000003571845 181036315 /nfs/dbraw/zinc/03/63/15/181036315.db2.gz CAPXMAURRVTFBM-SNVBAGLBSA-N 1 2 301.217 3.806 50 0 DHAALO CC1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000003538708 181031294 /nfs/dbraw/zinc/03/12/94/181031294.db2.gz FARYZDGDIKLWME-UHFFFAOYSA-N 1 2 301.217 3.664 50 0 DHAALO CCCOc1ccc(Cn2c(CCCO)[nH+]c3ccccc32)cc1 ZINC000006311312 181328456 /nfs/dbraw/zinc/32/84/56/181328456.db2.gz WOLFDSMVWIQLOT-UHFFFAOYSA-N 1 2 324.424 3.798 50 0 DHAALO CCOc1ccc(NC(=O)Cn2c(CC)[nH+]c3ccccc32)cc1 ZINC000006314077 181328623 /nfs/dbraw/zinc/32/86/23/181328623.db2.gz KXZPKAXCWLGHJF-UHFFFAOYSA-N 1 2 323.396 3.636 50 0 DHAALO CCC(=O)N(Cc1[nH+]ccn1Cc1cc(C)ccc1C)C(C)C ZINC000006690144 181370561 /nfs/dbraw/zinc/37/05/61/181370561.db2.gz IXCKJMKEIZEGNL-UHFFFAOYSA-N 1 2 313.445 3.695 50 0 DHAALO CCN(Cc1[nH+]ccn1Cc1cc(C)ccc1C)C(=O)C(C)C ZINC000006689708 181370839 /nfs/dbraw/zinc/37/08/39/181370839.db2.gz OAPOBFZFARXFLN-UHFFFAOYSA-N 1 2 313.445 3.553 50 0 DHAALO COc1ccsc1C[N@@H+]1CCSC[C@@H]1c1ccc(C)o1 ZINC000093818959 193312606 /nfs/dbraw/zinc/31/26/06/193312606.db2.gz BNYDPDSBACMTTF-GFCCVEGCSA-N 1 2 309.456 3.948 50 0 DHAALO COc1ccsc1C[N@H+]1CCSC[C@@H]1c1ccc(C)o1 ZINC000093818959 193312607 /nfs/dbraw/zinc/31/26/07/193312607.db2.gz BNYDPDSBACMTTF-GFCCVEGCSA-N 1 2 309.456 3.948 50 0 DHAALO O[C@H]1CCCC[C@H]1Oc1ccc([NH2+]C2CCSCC2)cc1 ZINC000095964699 193462533 /nfs/dbraw/zinc/46/25/33/193462533.db2.gz XPZSHSSXYMNETI-DLBZAZTESA-N 1 2 307.459 3.676 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(C)cc1C ZINC000015860733 182022734 /nfs/dbraw/zinc/02/27/34/182022734.db2.gz TWXFPURQRJOYDB-INIZCTEOSA-N 1 2 324.424 3.655 50 0 DHAALO O=C(C1CCCCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016604892 182052457 /nfs/dbraw/zinc/05/24/57/182052457.db2.gz BRIJNMKXTSAEEJ-UHFFFAOYSA-N 1 2 320.864 3.565 50 0 DHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(CC)cc1 ZINC000016903680 182063952 /nfs/dbraw/zinc/06/39/52/182063952.db2.gz VYQPGDQERJMDGI-MRXNPFEDSA-N 1 2 324.424 3.601 50 0 DHAALO CCc1ccc(C[NH+]2CCN(CCCc3ccccc3)CC2)cc1 ZINC000019359007 182117836 /nfs/dbraw/zinc/11/78/36/182117836.db2.gz 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Cc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nccs1)OCO2 ZINC000216502919 257273665 /nfs/dbraw/zinc/27/36/65/257273665.db2.gz YGLUOHXVLIMTKW-CQSZACIVSA-N 1 2 316.426 3.907 50 0 DHAALO Cc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nccs1)OCO2 ZINC000216502919 257273666 /nfs/dbraw/zinc/27/36/66/257273666.db2.gz YGLUOHXVLIMTKW-CQSZACIVSA-N 1 2 316.426 3.907 50 0 DHAALO Cn1c[nH+]cc1CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285077110 131135816 /nfs/dbraw/zinc/13/58/16/131135816.db2.gz PMBUIILGFPONDB-SFHVURJKSA-N 1 2 321.428 3.537 50 0 DHAALO C[NH+](C)CN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O ZINC000096580759 563537361 /nfs/dbraw/zinc/53/73/61/563537361.db2.gz RTTFCVNTFPKFHC-UVTDQMKNSA-N 1 2 318.442 3.540 50 0 DHAALO CCC[C@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)c1[nH+]ccn1C ZINC000534646754 334306965 /nfs/dbraw/zinc/30/69/65/334306965.db2.gz SDDCFKILJCJVQY-INIZCTEOSA-N 1 2 324.428 3.789 50 0 DHAALO CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000162252983 337383423 /nfs/dbraw/zinc/38/34/23/337383423.db2.gz 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ZINC000096492189 563485641 /nfs/dbraw/zinc/48/56/41/563485641.db2.gz CLFCOGNFWACTTR-ZDUSSCGKSA-N 1 2 320.396 3.860 50 0 DHAALO CC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ncccc1C ZINC000065406698 563486882 /nfs/dbraw/zinc/48/68/82/563486882.db2.gz BKHZIGLLQGFSGH-OAHLLOKOSA-N 1 2 311.433 3.734 50 0 DHAALO CC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ncccc1C ZINC000065406698 563486884 /nfs/dbraw/zinc/48/68/84/563486884.db2.gz BKHZIGLLQGFSGH-OAHLLOKOSA-N 1 2 311.433 3.734 50 0 DHAALO Cc1cnccc1C[N@@H+](C)Cc1nc2ccccc2n1C(C)C ZINC000067754539 563490642 /nfs/dbraw/zinc/49/06/42/563490642.db2.gz UPWSQSJXJCVQPJ-UHFFFAOYSA-N 1 2 308.429 3.953 50 0 DHAALO Cc1cnccc1C[N@H+](C)Cc1nc2ccccc2n1C(C)C ZINC000067754539 563490643 /nfs/dbraw/zinc/49/06/43/563490643.db2.gz UPWSQSJXJCVQPJ-UHFFFAOYSA-N 1 2 308.429 3.953 50 0 DHAALO CCc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000067921004 563493557 /nfs/dbraw/zinc/49/35/57/563493557.db2.gz ALDDRNGBFNIUHT-HXUWFJFHSA-N 1 2 318.424 3.515 50 0 DHAALO CCc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000067921004 563493558 /nfs/dbraw/zinc/49/35/58/563493558.db2.gz ALDDRNGBFNIUHT-HXUWFJFHSA-N 1 2 318.424 3.515 50 0 DHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2CCc2cccc(F)c2)cc1 ZINC000067880558 563493596 /nfs/dbraw/zinc/49/35/96/563493596.db2.gz MTPQJVMGCPOUJI-UHFFFAOYSA-N 1 2 323.371 3.890 50 0 DHAALO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)c3nnc(C)o3)c(C)c2c1 ZINC000097112130 563506051 /nfs/dbraw/zinc/50/60/51/563506051.db2.gz WNFWQFFAZCZHGY-QWRGUYRKSA-N 1 2 315.373 3.853 50 0 DHAALO CCc1cc([C@@H](C)n2cc[nH+]c2-c2ccc(NC(C)=O)cc2)on1 ZINC000077287810 563508164 /nfs/dbraw/zinc/50/81/64/563508164.db2.gz VRINPKJHGJYQEP-GFCCVEGCSA-N 1 2 324.384 3.668 50 0 DHAALO Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077459891 563511070 /nfs/dbraw/zinc/51/10/70/563511070.db2.gz ZEQGTKYDGJDMEM-CQSZACIVSA-N 1 2 323.396 3.793 50 0 DHAALO c1ccc2c(c1)ccc1c2[C@@H]2[NH2+][C@H](c3cccnc3)OC[C@@H]2CO1 ZINC000102430137 563559288 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CCn1c2ccc(F)cc2nc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000069533185 563953414 /nfs/dbraw/zinc/95/34/14/563953414.db2.gz BCQNQPAYJYOCRK-UHFFFAOYSA-N 1 2 318.421 3.592 50 0 DHAALO Cc1c[nH+]ccc1NC(=O)c1cc(F)ccc1Br ZINC000069559906 563953589 /nfs/dbraw/zinc/95/35/89/563953589.db2.gz LTLNYXPGCOMDCG-UHFFFAOYSA-N 1 2 309.138 3.544 50 0 DHAALO O=C(c1occc1-c1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069816647 563954854 /nfs/dbraw/zinc/95/48/54/563954854.db2.gz VFVAGRPJHRFNIN-INIZCTEOSA-N 1 2 321.380 3.620 50 0 DHAALO CCC[C@H](CC(=O)N[C@H]1CCCc2ccccc21)n1cc[nH+]c1 ZINC000009467117 563956142 /nfs/dbraw/zinc/95/61/42/563956142.db2.gz CNAKWJOKFULJSJ-AEFFLSMTSA-N 1 2 311.429 3.808 50 0 DHAALO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccccc1Br ZINC000070443971 563956452 /nfs/dbraw/zinc/95/64/52/563956452.db2.gz RREYNVYAISWYOC-MNOVXSKESA-N 1 2 308.223 3.594 50 0 DHAALO Cc1cc2[nH+]cn(CCc3noc(-c4ccco4)n3)c2cc1C ZINC000009828035 563957819 /nfs/dbraw/zinc/95/78/19/563957819.db2.gz KXLWPFYBKZYMDQ-UHFFFAOYSA-N 1 2 308.341 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CSCc1noc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)n1 ZINC000244574839 1025705839 /nfs/dbraw/zinc/70/58/39/1025705839.db2.gz CSDSQJHKIMGGMW-NSHDSACASA-N 1 2 323.849 3.576 50 0 DHAALO CSCc1noc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)n1 ZINC000244574839 1025705853 /nfs/dbraw/zinc/70/58/53/1025705853.db2.gz CSDSQJHKIMGGMW-NSHDSACASA-N 1 2 323.849 3.576 50 0 DHAALO CSCc1noc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)n1 ZINC000244574838 1025707164 /nfs/dbraw/zinc/70/71/64/1025707164.db2.gz CSDSQJHKIMGGMW-LLVKDONJSA-N 1 2 323.849 3.576 50 0 DHAALO CSCc1noc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)n1 ZINC000244574838 1025707181 /nfs/dbraw/zinc/70/71/81/1025707181.db2.gz CSDSQJHKIMGGMW-LLVKDONJSA-N 1 2 323.849 3.576 50 0 DHAALO CC(C)Cn1c[nH+]cc1CN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000252501965 1026157776 /nfs/dbraw/zinc/15/77/76/1026157776.db2.gz UMPQSPPLNRPWLE-UHFFFAOYSA-N 1 2 323.444 3.561 50 0 DHAALO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000158179885 1039086896 /nfs/dbraw/zinc/08/68/96/1039086896.db2.gz 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/nfs/dbraw/zinc/52/96/63/563529663.db2.gz OXXKHKZNVSWZBO-KRWDZBQOSA-N 1 2 317.477 3.970 50 0 DHAALO c1ccc2c(c1)cc[nH+]c2N1CCC[C@@H](OCc2cccnc2)C1 ZINC000096130741 563533314 /nfs/dbraw/zinc/53/33/14/563533314.db2.gz KNZPGGXPYPLACW-GOSISDBHSA-N 1 2 319.408 3.815 50 0 DHAALO CN(Cc1c[nH+]c(CC2CCCC2)[nH]1)Cc1nc2ccccc2[nH]1 ZINC000097492610 563539139 /nfs/dbraw/zinc/53/91/39/563539139.db2.gz RVVGOBJUTYSAHF-UHFFFAOYSA-N 1 2 323.444 3.651 50 0 DHAALO CN(Cc1c[nH]c(CC2CCCC2)[nH+]1)Cc1nc2ccccc2[nH]1 ZINC000097492610 563539141 /nfs/dbraw/zinc/53/91/41/563539141.db2.gz RVVGOBJUTYSAHF-UHFFFAOYSA-N 1 2 323.444 3.651 50 0 DHAALO c1sc(C[NH+]2CC(c3cccnc3)C2)nc1-c1ccccc1 ZINC000097394361 563539177 /nfs/dbraw/zinc/53/91/77/563539177.db2.gz FWZKTEVASINMTI-UHFFFAOYSA-N 1 2 307.422 3.805 50 0 DHAALO CCc1[nH]c2ccc(NC(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2[nH+]1 ZINC000097570817 563540587 /nfs/dbraw/zinc/54/05/87/563540587.db2.gz DYNDRGGYRHRERA-HZSPNIEDSA-N 1 2 324.428 3.849 50 0 DHAALO CCCCc1[nH]c(CN(C)Cc2cc(-c3ccccc3)n[nH]2)c[nH+]1 ZINC000097698671 563542052 /nfs/dbraw/zinc/54/20/52/563542052.db2.gz IUUSFNOVCKRGFQ-UHFFFAOYSA-N 1 2 323.444 3.774 50 0 DHAALO CCCCc1[nH]cc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)[nH+]1 ZINC000097698671 563542055 /nfs/dbraw/zinc/54/20/55/563542055.db2.gz IUUSFNOVCKRGFQ-UHFFFAOYSA-N 1 2 323.444 3.774 50 0 DHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COC1CCCCC1 ZINC000000243036 563580860 /nfs/dbraw/zinc/58/08/60/563580860.db2.gz TWZNCNVFWYJJPD-HNNXBMFYSA-N 1 2 316.445 3.699 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCCCCC2)c(C)c1 ZINC000000529089 563665154 /nfs/dbraw/zinc/66/51/54/563665154.db2.gz HDEIKBDYOFIJNR-UHFFFAOYSA-N 1 2 321.428 3.813 50 0 DHAALO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000215273243 563704067 /nfs/dbraw/zinc/70/40/67/563704067.db2.gz RHVONDIVKDWGOS-KRWDZBQOSA-N 1 2 310.401 3.895 50 0 DHAALO Cc1noc(C)c1C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000215273243 563704069 /nfs/dbraw/zinc/70/40/69/563704069.db2.gz RHVONDIVKDWGOS-KRWDZBQOSA-N 1 2 310.401 3.895 50 0 DHAALO Cc1c[nH]c([C@@H](C)NC(=O)c2ccccc2-c2ccccc2)[nH+]1 ZINC000223951921 563738575 /nfs/dbraw/zinc/73/85/75/563738575.db2.gz JPCCGOLNLKZBCZ-CQSZACIVSA-N 1 2 305.381 3.876 50 0 DHAALO O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000241644315 563777421 /nfs/dbraw/zinc/77/74/21/563777421.db2.gz PPXCQJGHBCRYQL-RDJZCZTQSA-N 1 2 309.413 3.583 50 0 DHAALO COc1ccc(-c2cc3ncnc(-n4cc[nH+]c4)c3s2)cc1 ZINC000012530394 563798592 /nfs/dbraw/zinc/79/85/92/563798592.db2.gz QWEURDFLFWPEAP-UHFFFAOYSA-N 1 2 308.366 3.553 50 0 DHAALO Cc1nnc(C[N@H+](C)CCCSc2ccc(C)cc2)s1 ZINC000299784099 563805607 /nfs/dbraw/zinc/80/56/07/563805607.db2.gz IPTXHEVRTSSYRF-UHFFFAOYSA-N 1 2 307.488 3.769 50 0 DHAALO Cc1nnc(C[N@@H+](C)CCCSc2ccc(C)cc2)s1 ZINC000299784099 563805609 /nfs/dbraw/zinc/80/56/09/563805609.db2.gz IPTXHEVRTSSYRF-UHFFFAOYSA-N 1 2 307.488 3.769 50 0 DHAALO Cc1cc(Cl)ccc1C(=O)N[C@H](c1[nH+]ccn1C)C(C)C ZINC000299799748 563806420 /nfs/dbraw/zinc/80/64/20/563806420.db2.gz ZWELPBQYRHPIRO-AWEZNQCLSA-N 1 2 305.809 3.509 50 0 DHAALO OCCOc1ccc([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129486603 563811535 /nfs/dbraw/zinc/81/15/35/563811535.db2.gz XCRHKACKZSNBDG-DGCLKSJQSA-N 1 2 303.324 3.591 50 0 DHAALO CC[C@@H](C(=O)NCCn1c(C)[nH+]c2ccccc21)c1ccccc1 ZINC000012741796 563820110 /nfs/dbraw/zinc/82/01/10/563820110.db2.gz FNGILOUDKWIUPR-QGZVFWFLSA-N 1 2 321.424 3.655 50 0 DHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000012756202 563824835 /nfs/dbraw/zinc/82/48/35/563824835.db2.gz ODFSFKFTSTZOOC-KGLIPLIRSA-N 1 2 314.454 3.545 50 0 DHAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000012756202 563824839 /nfs/dbraw/zinc/82/48/39/563824839.db2.gz ODFSFKFTSTZOOC-KGLIPLIRSA-N 1 2 314.454 3.545 50 0 DHAALO Cc1sc(C(=O)NCc2[nH]cc[nH+]2)cc1-c1ccc(F)cc1 ZINC000087353029 563828941 /nfs/dbraw/zinc/82/89/41/563828941.db2.gz KXLYEBODNRSYRP-UHFFFAOYSA-N 1 2 315.373 3.516 50 0 DHAALO Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000012784167 563831634 /nfs/dbraw/zinc/83/16/34/563831634.db2.gz LRQRAQOUPKTIII-INIZCTEOSA-N 1 2 319.408 3.980 50 0 DHAALO Cc1cc(C(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)c(C)o1 ZINC000575614938 563866718 /nfs/dbraw/zinc/86/67/18/563866718.db2.gz AHSVUMJFFVIITK-HNNXBMFYSA-N 1 2 323.396 3.642 50 0 DHAALO CC(=O)Nc1cccc(CNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000089265562 563870802 /nfs/dbraw/zinc/87/08/02/563870802.db2.gz ILVZLECKJHLNIY-UHFFFAOYSA-N 1 2 309.291 3.671 50 0 DHAALO c1coc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccs3)o2)c1 ZINC000089794507 563911319 /nfs/dbraw/zinc/91/13/19/563911319.db2.gz WOIBUBUGYZJQSR-LLVKDONJSA-N 1 2 301.371 3.728 50 0 DHAALO c1coc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccs3)o2)c1 ZINC000089794507 563911320 /nfs/dbraw/zinc/91/13/20/563911320.db2.gz WOIBUBUGYZJQSR-LLVKDONJSA-N 1 2 301.371 3.728 50 0 DHAALO Cn1c2ccc(NC(=O)CCC(F)(F)F)cc2[nH+]c1C1CC1 ZINC000089870483 563911714 /nfs/dbraw/zinc/91/17/14/563911714.db2.gz HQGYSZCWIHFXIJ-UHFFFAOYSA-N 1 2 311.307 3.732 50 0 DHAALO CC(C)c1noc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089893642 563911848 /nfs/dbraw/zinc/91/18/48/563911848.db2.gz HTBAUIUNQIHGBV-UHFFFAOYSA-N 1 2 322.412 3.964 50 0 DHAALO CC(C)c1noc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089893642 563911850 /nfs/dbraw/zinc/91/18/50/563911850.db2.gz HTBAUIUNQIHGBV-UHFFFAOYSA-N 1 2 322.412 3.964 50 0 DHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC[C@@H](C)C2)cc1C ZINC000017120352 563912779 /nfs/dbraw/zinc/91/27/79/563912779.db2.gz FQUAGGCZMZXORL-CYBMUJFWSA-N 1 2 321.428 3.669 50 0 DHAALO CCCOc1cccc2c(N[C@H]3CCCn4ncnc43)cc[nH+]c12 ZINC000194725648 563917885 /nfs/dbraw/zinc/91/78/85/563917885.db2.gz PTZABSOIAILELF-HNNXBMFYSA-N 1 2 323.400 3.562 50 0 DHAALO CC(C)=CC[N@H+](Cc1nnc(C)o1)Cc1ccc(Cl)cc1 ZINC000253419212 563925242 /nfs/dbraw/zinc/92/52/42/563925242.db2.gz KVGBZOPAJCUYEB-UHFFFAOYSA-N 1 2 305.809 4.000 50 0 DHAALO Cc1cccc(N2CC[N@@H+](Cc3cnc(Cl)s3)C[C@H]2C)c1 ZINC000020367036 563931117 /nfs/dbraw/zinc/93/11/17/563931117.db2.gz AVUUIXDNELRJGS-CYBMUJFWSA-N 1 2 321.877 3.816 50 0 DHAALO Cc1cccc(N2CC[N@H+](Cc3cnc(Cl)s3)C[C@H]2C)c1 ZINC000020367036 563931118 /nfs/dbraw/zinc/93/11/18/563931118.db2.gz AVUUIXDNELRJGS-CYBMUJFWSA-N 1 2 321.877 3.816 50 0 DHAALO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccncc1 ZINC000097084022 563937770 /nfs/dbraw/zinc/93/77/70/563937770.db2.gz AHEPBDNDAXTVCB-NSHDSACASA-N 1 2 314.776 3.636 50 0 DHAALO CC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000030515501 563943291 /nfs/dbraw/zinc/94/32/91/563943291.db2.gz KJCDKPDEAVBBSO-MRXNPFEDSA-N 1 2 319.408 3.796 50 0 DHAALO Cc1cc(N)nc(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)[nH+]1 ZINC000031745690 563944780 /nfs/dbraw/zinc/94/47/80/563944780.db2.gz SBDRMSZJAPTFPD-ZDUSSCGKSA-N 1 2 315.442 3.656 50 0 DHAALO Cc1cccn2cc(CSc3ncnc4ccccc43)[nH+]c12 ZINC000008011728 563946081 /nfs/dbraw/zinc/94/60/81/563946081.db2.gz JKRVOOPJFZFQRL-UHFFFAOYSA-N 1 2 306.394 3.878 50 0 DHAALO CCc1ccc(C(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000008710180 563949896 /nfs/dbraw/zinc/94/98/96/563949896.db2.gz JQHZIRIYFQUWCK-SFHVURJKSA-N 1 2 319.408 3.686 50 0 DHAALO C[C@H](c1cc(F)ccc1F)N1CCc2c([nH+]cn2C2CC2)C1 ZINC000069486176 563952985 /nfs/dbraw/zinc/95/29/85/563952985.db2.gz CDMFKHJXVFXODL-LLVKDONJSA-N 1 2 303.356 3.616 50 0 DHAALO CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069628813 563953907 /nfs/dbraw/zinc/95/39/07/563953907.db2.gz ZCBZEWAWZLLBFE-UHFFFAOYSA-N 1 2 319.408 3.625 50 0 DHAALO COc1c(C)c[nH+]c(CSc2nnc(C(C)(C)C)o2)c1C ZINC000069662636 563954196 /nfs/dbraw/zinc/95/41/96/563954196.db2.gz BLCNRHPTRTWHBP-UHFFFAOYSA-N 1 2 307.419 3.680 50 0 DHAALO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(SC)c(OC)c2)o1 ZINC000069979164 563955521 /nfs/dbraw/zinc/95/55/21/563955521.db2.gz PDWJQRPNTNSACX-LLVKDONJSA-N 1 2 321.446 3.556 50 0 DHAALO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(SC)c(OC)c2)o1 ZINC000069979164 563955522 /nfs/dbraw/zinc/95/55/22/563955522.db2.gz PDWJQRPNTNSACX-LLVKDONJSA-N 1 2 321.446 3.556 50 0 DHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000009515252 563956370 /nfs/dbraw/zinc/95/63/70/563956370.db2.gz QAOWHLRADQSLCT-UHFFFAOYSA-N 1 2 307.397 3.854 50 0 DHAALO CCCCN(C)c1[nH+]cnc2c1cnn2-c1cc(C)cc(C)c1 ZINC000009627508 563957151 /nfs/dbraw/zinc/95/71/51/563957151.db2.gz WKUGEGAEPFCJSY-UHFFFAOYSA-N 1 2 309.417 3.669 50 0 DHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc2c1CCCC2 ZINC000010006543 563958218 /nfs/dbraw/zinc/95/82/18/563958218.db2.gz PUWIRDBBRYAFRA-UHFFFAOYSA-N 1 2 319.408 3.862 50 0 DHAALO O=C(N[C@H]1CCC[C@@H]1n1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000071843152 563959148 /nfs/dbraw/zinc/95/91/48/563959148.db2.gz HZMOIRFFGTTYLX-ROUUACIJSA-N 1 2 305.381 3.560 50 0 DHAALO