smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2cc(CNc3ccc([NH+](C)C)cc3)c(=O)[nH]c2c1 ZINC000072396075 191150086 /nfs/dbraw/zinc/15/00/86/191150086.db2.gz SBQKVJGXQDXCAN-UHFFFAOYSA-N 1 2 321.424 3.823 40 0 DHABLO CC(C)Nc1nc(Nc2cccc(Cl)c2)nc(NC(C)C)[nH+]1 ZINC000005255717 181222284 /nfs/dbraw/zinc/22/22/84/181222284.db2.gz DLKFSIYEDLBLSY-UHFFFAOYSA-N 1 2 320.828 3.909 40 0 DHABLO O=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1[NH+]1CCCCC1 ZINC000005946738 181299322 /nfs/dbraw/zinc/29/93/22/181299322.db2.gz CFIVRYCEYBLFRY-LJQANCHMSA-N 1 2 319.408 3.614 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3csc(C(C)C)c3)C2)[nH+]1 ZINC000257334847 203056077 /nfs/dbraw/zinc/05/60/77/203056077.db2.gz YHPQRCKZGAOIHJ-CYBMUJFWSA-N 1 2 317.458 3.923 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2cccc(F)c2F)n1 ZINC000019291088 182113484 /nfs/dbraw/zinc/11/34/84/182113484.db2.gz VPZGHQDUYTVNQV-MRXNPFEDSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2cccc(F)c2F)n1 ZINC000019291088 182113486 /nfs/dbraw/zinc/11/34/86/182113486.db2.gz VPZGHQDUYTVNQV-MRXNPFEDSA-N 1 2 305.372 3.816 40 0 DHABLO C[C@@H](Cc1ccccc1)[NH2+]N1CCO[C@H](c2ccccc2)[C@@H]1C ZINC000019170580 182106742 /nfs/dbraw/zinc/10/67/42/182106742.db2.gz KBRSLPYGHGQKNS-ZWOKBUDYSA-N 1 2 310.441 3.584 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213725 257126720 /nfs/dbraw/zinc/12/67/20/257126720.db2.gz MBJICXWYZGCLNK-QGZVFWFLSA-N 1 2 307.397 3.633 40 0 DHABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N(C(C)C)C(C)C ZINC000072213051 257127002 /nfs/dbraw/zinc/12/70/02/257127002.db2.gz XLRJBRHCZGUNJN-QGZVFWFLSA-N 1 2 303.450 3.778 40 0 DHABLO CCN(CC)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212843 257127071 /nfs/dbraw/zinc/12/70/71/257127071.db2.gz JUBGUQIYUMYRKS-SFHVURJKSA-N 1 2 323.440 3.905 40 0 DHABLO CCCNc1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072213141 257127240 /nfs/dbraw/zinc/12/72/40/257127240.db2.gz OCHZIXQISLPVLR-KRWDZBQOSA-N 1 2 309.413 3.881 40 0 DHABLO CC(C)(C)c1cc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)no1 ZINC000333527044 336205141 /nfs/dbraw/zinc/20/51/41/336205141.db2.gz LQBAVTPIINAKRM-UHFFFAOYSA-N 1 2 324.306 3.784 40 0 DHABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328964286 534672490 /nfs/dbraw/zinc/67/24/90/534672490.db2.gz BUPJNROQERASQD-UHFFFAOYSA-N 1 2 322.456 3.913 40 0 DHABLO COc1cccc(CN(Cc2ccco2)Cc2[nH]c[nH+]c2C)c1 ZINC000012116755 563361929 /nfs/dbraw/zinc/36/19/29/563361929.db2.gz SVHFSBRROISVMT-UHFFFAOYSA-N 1 2 311.385 3.522 40 0 DHABLO Cc1ncc(C[NH2+]C2(c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000012361948 563366878 /nfs/dbraw/zinc/36/68/78/563366878.db2.gz KOLAIUXNGJDAKN-UHFFFAOYSA-N 1 2 308.212 3.871 40 0 DHABLO COC(=O)[C@H](C)c1cccc([C@H](c2ccccc2)n2cc[nH+]c2)c1 ZINC000013898181 563391278 /nfs/dbraw/zinc/39/12/78/563391278.db2.gz YRSBGQIQVSGCJT-BEFAXECRSA-N 1 2 320.392 3.797 40 0 in-man DHABLO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCC[C@@H](C)C2)c1 ZINC000015880892 563410948 /nfs/dbraw/zinc/41/09/48/563410948.db2.gz LIWJPMXVOSLQCB-CQSZACIVSA-N 1 2 321.428 3.669 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328977905 563801374 /nfs/dbraw/zinc/80/13/74/563801374.db2.gz FWZMRSPSKKAPFP-NSHDSACASA-N 1 2 316.836 3.805 40 0 DHABLO CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328984077 563833046 /nfs/dbraw/zinc/83/30/46/563833046.db2.gz HKLJRBYQGWSMIN-UHFFFAOYSA-N 1 2 323.227 3.680 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2cccc(F)c2C)cc(C2CC2)[nH+]1 ZINC000329023525 563833389 /nfs/dbraw/zinc/83/33/89/563833389.db2.gz OUPWTGNFYSPDOL-NSHDSACASA-N 1 2 314.408 3.599 40 0 DHABLO COc1ccc(C[C@@H]2CCC[NH+]=C2c2cccnc2)c(OC)c1 ZINC000049808162 563961575 /nfs/dbraw/zinc/96/15/75/563961575.db2.gz ODLOPYOPLAYOCA-HNNXBMFYSA-N 1 2 310.397 3.541 40 0 DHABLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)o1 ZINC000268245143 563961632 /nfs/dbraw/zinc/96/16/32/563961632.db2.gz XYNVEAQCFLMFOE-PWSUYJOCSA-N 1 2 305.447 3.842 40 0 DHABLO Cc1cc(C)cc(C[N@@H+]2CCn3c(-c4cccnc4)cnc3C2)c1 ZINC000306123997 231084695 /nfs/dbraw/zinc/08/46/95/231084695.db2.gz BCPKBEITFLWEBC-UHFFFAOYSA-N 1 2 318.424 3.578 40 0 DHABLO Cc1cc(C)cc(C[N@H+]2CCn3c(-c4cccnc4)cnc3C2)c1 ZINC000306123997 231084698 /nfs/dbraw/zinc/08/46/98/231084698.db2.gz BCPKBEITFLWEBC-UHFFFAOYSA-N 1 2 318.424 3.578 40 0 DHABLO S=C(NCCCSC1CCCCC1)Nc1cc[nH+]cc1 ZINC000225592268 186281217 /nfs/dbraw/zinc/28/12/17/186281217.db2.gz ZLSKCGUDRZPCOP-UHFFFAOYSA-N 1 2 309.504 3.824 40 0 DHABLO S=C(NCCCSCc1ccccc1)Nc1cc[nH+]cc1 ZINC000225599411 186282468 /nfs/dbraw/zinc/28/24/68/186282468.db2.gz DFYFVDKBFLAITO-UHFFFAOYSA-N 1 2 317.483 3.692 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2coc3cc(C)ccc23)[nH+]1 ZINC000257293805 203020114 /nfs/dbraw/zinc/02/01/14/203020114.db2.gz QRFXIIQHLPYKCX-INIZCTEOSA-N 1 2 323.396 3.679 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2c(F)cccc2F)n1 ZINC000019291048 182113506 /nfs/dbraw/zinc/11/35/06/182113506.db2.gz DGFSKLCEHYYFAY-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2c(F)cccc2F)n1 ZINC000019291048 182113508 /nfs/dbraw/zinc/11/35/08/182113508.db2.gz DGFSKLCEHYYFAY-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO CNc1[nH+]cc([C@@H]2CCCCN2C(=O)c2ccccc2)cc1C ZINC000072219016 257124442 /nfs/dbraw/zinc/12/44/42/257124442.db2.gz DPLMSAHVUVOKDZ-KRWDZBQOSA-N 1 2 309.413 3.799 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212813 257127084 /nfs/dbraw/zinc/12/70/84/257127084.db2.gz PLBCKHXHEPGJCK-GOSISDBHSA-N 1 2 323.440 3.905 40 0 DHABLO CNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212471 257127458 /nfs/dbraw/zinc/12/74/58/257127458.db2.gz UVWPGTNVXQUVCJ-INIZCTEOSA-N 1 2 311.385 3.597 40 0 DHABLO Cc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1C ZINC000409195222 257221468 /nfs/dbraw/zinc/22/14/68/257221468.db2.gz NQCAIKMKLRRANK-UHFFFAOYSA-N 1 2 308.425 3.875 40 0 DHABLO CCc1ccc(C[N@H+](Cc2ccnn2C)Cc2cccnc2)cc1 ZINC000013569117 563467058 /nfs/dbraw/zinc/46/70/58/563467058.db2.gz LPUIKRLBXRQSON-UHFFFAOYSA-N 1 2 320.440 3.580 40 0 DHABLO CCc1ccc(C[N@@H+](Cc2ccnn2C)Cc2cccnc2)cc1 ZINC000013569117 563467060 /nfs/dbraw/zinc/46/70/60/563467060.db2.gz LPUIKRLBXRQSON-UHFFFAOYSA-N 1 2 320.440 3.580 40 0 DHABLO Cc1c[nH]c([C@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)C2)[nH+]1 ZINC000585181432 563525632 /nfs/dbraw/zinc/52/56/32/563525632.db2.gz MGUNJBUYENJXNP-INIZCTEOSA-N 1 2 323.440 3.546 40 0 DHABLO Cc1nc(-c2cccc(F)c2)nc2c1C[N@H+](Cc1ccoc1)CC2 ZINC000096253943 563536161 /nfs/dbraw/zinc/53/61/61/563536161.db2.gz URDFMRGQEAGCSF-UHFFFAOYSA-N 1 2 323.371 3.742 40 0 DHABLO Cc1nc(-c2cccc(F)c2)nc2c1C[N@@H+](Cc1ccoc1)CC2 ZINC000096253943 563536164 /nfs/dbraw/zinc/53/61/64/563536164.db2.gz URDFMRGQEAGCSF-UHFFFAOYSA-N 1 2 323.371 3.742 40 0 DHABLO CC(C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000243807753 563604567 /nfs/dbraw/zinc/60/45/67/563604567.db2.gz QOQBABKADXMYOI-HNNXBMFYSA-N 1 2 312.417 3.555 40 0 DHABLO Cc1ccc([N@H+](C)CCCNC(=O)c2cc(C)ccc2C)cc1 ZINC000225054117 563747246 /nfs/dbraw/zinc/74/72/46/563747246.db2.gz IWBDCOHJOWHLQP-UHFFFAOYSA-N 1 2 310.441 3.868 40 0 DHABLO Cc1ccc([N@@H+](C)CCCNC(=O)c2cc(C)ccc2C)cc1 ZINC000225054117 563747248 /nfs/dbraw/zinc/74/72/48/563747248.db2.gz IWBDCOHJOWHLQP-UHFFFAOYSA-N 1 2 310.441 3.868 40 0 DHABLO Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329060312 563802843 /nfs/dbraw/zinc/80/28/43/563802843.db2.gz WLJWTCGVTUNLHN-UHFFFAOYSA-N 1 2 316.836 3.724 40 0 DHABLO CNc1nc(Nc2c(C)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328960567 563833010 /nfs/dbraw/zinc/83/30/10/563833010.db2.gz AZFCKOTVENSRCL-UHFFFAOYSA-N 1 2 324.815 3.735 40 0 DHABLO CNc1nc(Nc2cc(Cl)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329064691 563834279 /nfs/dbraw/zinc/83/42/79/563834279.db2.gz XLUBGBCAWSMPNU-UHFFFAOYSA-N 1 2 324.815 3.735 40 0 DHABLO CC(C)c1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938589 563927163 /nfs/dbraw/zinc/92/71/63/563927163.db2.gz WUOASZHNGDJSBY-CHWSQXEVSA-N 1 2 300.402 3.677 40 0 DHABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329029771 563960270 /nfs/dbraw/zinc/96/02/70/563960270.db2.gz QBBCTTDZHJDKPU-UHFFFAOYSA-N 1 2 312.417 4.317 40 0 DHABLO Cc1ccc(SCCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225589233 186280313 /nfs/dbraw/zinc/28/03/13/186280313.db2.gz ULLQMVPSJROGOX-UHFFFAOYSA-N 1 2 317.483 3.859 40 0 DHABLO Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)C(C)C)nc2)[nH+]1 ZINC000072353026 191128346 /nfs/dbraw/zinc/12/83/46/191128346.db2.gz YAVPJPWCYNMTLD-KRWDZBQOSA-N 1 2 324.428 3.848 40 0 DHABLO Cc1ccc(Nc2nc(NC(C)C)[nH+]c(NC(C)C)n2)cc1 ZINC000005255731 181222368 /nfs/dbraw/zinc/22/23/68/181222368.db2.gz ITLBJZDCBWNGAA-UHFFFAOYSA-N 1 2 300.410 3.564 40 0 DHABLO CC[NH+](CC)[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000006384803 181336745 /nfs/dbraw/zinc/33/67/45/181336745.db2.gz WYAXGUFTMAEDMR-SFHVURJKSA-N 1 2 309.409 3.853 40 0 DHABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(C)cs3)C2)cc[nH+]1 ZINC000257315874 203040877 /nfs/dbraw/zinc/04/08/77/203040877.db2.gz VDBPCRLBJGUTPJ-AWEZNQCLSA-N 1 2 315.442 3.513 40 0 DHABLO Cc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)n1 ZINC000019236350 182110762 /nfs/dbraw/zinc/11/07/62/182110762.db2.gz MAPRUPBOQIPHJA-OAHLLOKOSA-N 1 2 315.467 3.982 40 0 DHABLO CN(Cc1ccccc1)c1ccc([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072225372 257123062 /nfs/dbraw/zinc/12/30/62/257123062.db2.gz JMRRVPUTQIKHLX-FQEVSTJZSA-N 1 2 304.393 3.800 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215980 257124751 /nfs/dbraw/zinc/12/47/51/257124751.db2.gz TVMYWRZUKDUKQM-HNNXBMFYSA-N 1 2 317.433 3.754 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213786 257126447 /nfs/dbraw/zinc/12/64/47/257126447.db2.gz AFPINRBAQLRAMF-KRWDZBQOSA-N 1 2 307.397 3.633 40 0 DHABLO CCNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213111 257127048 /nfs/dbraw/zinc/12/70/48/257127048.db2.gz RJISIDMAISVALM-QGZVFWFLSA-N 1 2 309.413 3.881 40 0 DHABLO CCN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212723 257127187 /nfs/dbraw/zinc/12/71/87/257127187.db2.gz MZDKQSKYOXWNJX-KRWDZBQOSA-N 1 2 309.413 3.515 40 0 DHABLO Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212446 257127461 /nfs/dbraw/zinc/12/74/61/257127461.db2.gz QBMPZEKLHLXIQW-MRXNPFEDSA-N 1 2 311.385 3.528 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH+]1 ZINC000257230989 563791709 /nfs/dbraw/zinc/79/17/09/563791709.db2.gz GESRSBRIGNRDNY-KRWDZBQOSA-N 1 2 322.412 3.794 40 0 DHABLO c1ccc(-c2cc(NCc3cccnc3)nc(NC3CC3)[nH+]2)cc1 ZINC000253450679 563815273 /nfs/dbraw/zinc/81/52/73/563815273.db2.gz PNBNZJQJNIEXBW-UHFFFAOYSA-N 1 2 317.396 3.725 40 0 DHABLO CCNc1nc(Nc2cc(C)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329008146 563832852 /nfs/dbraw/zinc/83/28/52/563832852.db2.gz LQFKZQKWZOXSRM-UHFFFAOYSA-N 1 2 318.424 3.780 40 0 DHABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc[nH+]1 ZINC000329038629 563833404 /nfs/dbraw/zinc/83/34/04/563833404.db2.gz RTMRLLDPODZLDN-CQSZACIVSA-N 1 2 310.445 3.985 40 0 DHABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]cn1 ZINC000329038629 563833405 /nfs/dbraw/zinc/83/34/05/563833405.db2.gz RTMRLLDPODZLDN-CQSZACIVSA-N 1 2 310.445 3.985 40 0 DHABLO Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000329051964 563960142 /nfs/dbraw/zinc/96/01/42/563960142.db2.gz VAQLWOBGOGZGFI-UHFFFAOYSA-N 1 2 318.380 4.167 40 0 DHABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)ccc1F ZINC000329026522 563960176 /nfs/dbraw/zinc/96/01/76/563960176.db2.gz PMNVLSMFYRAMAV-UHFFFAOYSA-N 1 2 300.381 4.365 40 0 DHABLO c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3cccnc3)o2)cc1 ZINC000005021847 181191630 /nfs/dbraw/zinc/19/16/30/181191630.db2.gz PUMMSKUXKAZGPS-KRWDZBQOSA-N 1 2 320.396 3.859 40 0 DHABLO c1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3cccnc3)o2)cc1 ZINC000005021847 181191631 /nfs/dbraw/zinc/19/16/31/181191631.db2.gz PUMMSKUXKAZGPS-KRWDZBQOSA-N 1 2 320.396 3.859 40 0 DHABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)cc[nH+]1 ZINC000257301085 203026536 /nfs/dbraw/zinc/02/65/36/203026536.db2.gz RWXYKNKIJMFFLZ-AWEZNQCLSA-N 1 2 315.442 3.513 40 0 DHABLO CCCc1cc([C@@H]2CCCCC[N@@H+]2Cc2cnn(CC)c2)no1 ZINC000019525421 182128674 /nfs/dbraw/zinc/12/86/74/182128674.db2.gz QUFXDYFBXSSWIP-SFHVURJKSA-N 1 2 316.449 3.961 40 0 DHABLO CCCc1cc([C@@H]2CCCCC[N@H+]2Cc2cnn(CC)c2)no1 ZINC000019525421 182128676 /nfs/dbraw/zinc/12/86/76/182128676.db2.gz QUFXDYFBXSSWIP-SFHVURJKSA-N 1 2 316.449 3.961 40 0 DHABLO CCOc1ccc(C[N@@H+]2CCc3nc4ccncc4cc3C2)cc1 ZINC000019533350 182129104 /nfs/dbraw/zinc/12/91/04/182129104.db2.gz SIGUVNYFIZUCQO-UHFFFAOYSA-N 1 2 319.408 3.587 40 0 DHABLO CCOc1ccc(C[N@H+]2CCc3nc4ccncc4cc3C2)cc1 ZINC000019533350 182129105 /nfs/dbraw/zinc/12/91/05/182129105.db2.gz SIGUVNYFIZUCQO-UHFFFAOYSA-N 1 2 319.408 3.587 40 0 DHABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216736 257124943 /nfs/dbraw/zinc/12/49/43/257124943.db2.gz JJNZWRODKCTJQJ-QGZVFWFLSA-N 1 2 301.434 3.536 40 0 DHABLO Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N(C)C ZINC000072218656 257125296 /nfs/dbraw/zinc/12/52/96/257125296.db2.gz KTBGJOMISICZLX-SFHVURJKSA-N 1 2 323.440 3.823 40 0 DHABLO CCN(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212752 257127173 /nfs/dbraw/zinc/12/71/73/257127173.db2.gz UKSDBCSFXFRGAC-SFHVURJKSA-N 1 2 323.440 3.905 40 0 DHABLO CCCNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213202 257127274 /nfs/dbraw/zinc/12/72/74/257127274.db2.gz SVAROYXVZNULED-QGZVFWFLSA-N 1 2 309.413 3.881 40 0 DHABLO CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328976778 528001703 /nfs/dbraw/zinc/00/17/03/528001703.db2.gz FPSKTPQHEYSGCZ-UHFFFAOYSA-N 1 2 323.227 3.680 40 0 DHABLO COC(=O)[C@@H](C)c1cccc([C@@H](c2ccccc2)n2cc[nH+]c2)c1 ZINC000013898175 563391566 /nfs/dbraw/zinc/39/15/66/563391566.db2.gz YRSBGQIQVSGCJT-HNAYVOBHSA-N 1 2 320.392 3.797 40 0 in-man DHABLO Cc1cc(Cl)ccc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000175208628 563633974 /nfs/dbraw/zinc/63/39/74/563633974.db2.gz XGSYGCVZEVDNMY-UHFFFAOYSA-N 1 2 300.789 3.603 40 0 DHABLO Cc1ccc(C(=O)Nc2cc([NH+]3CCCC3)c(C)cc2N)cc1 ZINC000216865905 563711824 /nfs/dbraw/zinc/71/18/24/563711824.db2.gz CDOADYIRJDXMIM-UHFFFAOYSA-N 1 2 309.413 3.738 40 0 DHABLO c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328983167 563832749 /nfs/dbraw/zinc/83/27/49/563832749.db2.gz HELARSFJDVWLOB-UHFFFAOYSA-N 1 2 308.429 3.686 40 0 DHABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc[nH+]1 ZINC000329038628 563833600 /nfs/dbraw/zinc/83/36/00/563833600.db2.gz RTMRLLDPODZLDN-AWEZNQCLSA-N 1 2 310.445 3.985 40 0 DHABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]cn1 ZINC000329038628 563833603 /nfs/dbraw/zinc/83/36/03/563833603.db2.gz RTMRLLDPODZLDN-AWEZNQCLSA-N 1 2 310.445 3.985 40 0 DHABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC)n1 ZINC000329015911 563833788 /nfs/dbraw/zinc/83/37/88/563833788.db2.gz NDSHHAKPNQCWHZ-UHFFFAOYSA-N 1 2 318.424 3.644 40 0 DHABLO C[C@@H]([NH2+]Cc1ccccc1)c1nc([C@@H]2CCCSCC2)no1 ZINC000575414974 563856722 /nfs/dbraw/zinc/85/67/22/563856722.db2.gz DCWNRCLMDRMAOA-UKRRQHHQSA-N 1 2 317.458 3.921 40 0 DHABLO c1[nH]c([C@@H]2COCC[N@H+]2C2CCCCC2)nc1-c1ccccc1 ZINC000067898607 563950662 /nfs/dbraw/zinc/95/06/62/563950662.db2.gz RTWVSILELUTQQY-SFHVURJKSA-N 1 2 311.429 3.783 40 0 biogenic,in-vitro DHABLO c1[nH]c([C@@H]2COCC[N@@H+]2C2CCCCC2)nc1-c1ccccc1 ZINC000067898607 563950663 /nfs/dbraw/zinc/95/06/63/563950663.db2.gz RTWVSILELUTQQY-SFHVURJKSA-N 1 2 311.429 3.783 40 0 biogenic,in-vitro DHABLO CC[C@@](O)(c1c[nH+]c(C)n1Cc1ccccc1)c1ccccc1 ZINC000005502324 181250625 /nfs/dbraw/zinc/25/06/25/181250625.db2.gz FLIYIFLGOGWACE-FQEVSTJZSA-N 1 2 306.409 3.886 40 0 DHABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(Cc1csc(C)n1)C2 ZINC000257309727 203034938 /nfs/dbraw/zinc/03/49/38/203034938.db2.gz UCDPVCYUECQHDC-QGZVFWFLSA-N 1 2 324.453 3.714 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213716 257126525 /nfs/dbraw/zinc/12/65/25/257126525.db2.gz VODBRXYUWBANDW-AWEZNQCLSA-N 1 2 303.406 3.728 40 0 DHABLO CN(C)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212692 257126874 /nfs/dbraw/zinc/12/68/74/257126874.db2.gz PEYLDLBHBFDURK-KRWDZBQOSA-N 1 2 309.413 3.515 40 0 DHABLO Cc1ccc(C)c(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)c1 ZINC000409206705 257220504 /nfs/dbraw/zinc/22/05/04/257220504.db2.gz VXWZIYHJOGKURH-UHFFFAOYSA-N 1 2 308.425 3.875 40 0 DHABLO Cc1cc(C)cc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)c1 ZINC000409207162 257220923 /nfs/dbraw/zinc/22/09/23/257220923.db2.gz PVSVJUNDRWSNBY-UHFFFAOYSA-N 1 2 308.425 3.875 40 0 DHABLO Cc1nn(C[NH+]2CCCCC2)c(=S)n1-c1cccc(C)c1C ZINC000000390677 563249255 /nfs/dbraw/zinc/24/92/55/563249255.db2.gz UTLNCWCRWGMFHG-UHFFFAOYSA-N 1 2 316.474 3.772 40 0 DHABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)CCN4C(=O)C(C)C)cn2c1 ZINC000012088180 563361754 /nfs/dbraw/zinc/36/17/54/563361754.db2.gz CHFKAGIRNKHHTJ-UHFFFAOYSA-N 1 2 319.408 3.855 40 0 DHABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)CCN4C(=O)C3CC3)cn2c1 ZINC000012088183 563362035 /nfs/dbraw/zinc/36/20/35/563362035.db2.gz RXNNRVLSDYSGHB-UHFFFAOYSA-N 1 2 317.392 3.609 40 0 DHABLO Cc1[nH+]cc([C@@H](O)c2cccc(Cl)c2)n1Cc1ccccc1 ZINC000013281786 563379982 /nfs/dbraw/zinc/37/99/82/563379982.db2.gz CSKXPFXFIQQXMA-SFHVURJKSA-N 1 2 312.800 3.975 40 0 DHABLO COc1ccc(C)cc1Nc1cc(N)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467997 563467698 /nfs/dbraw/zinc/46/76/98/563467698.db2.gz BJCDDFCSQOBTJW-UHFFFAOYSA-N 1 2 324.359 3.926 40 0 DHABLO CC(C)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000244226761 563604579 /nfs/dbraw/zinc/60/45/79/563604579.db2.gz WDCFWQXEVCPHLB-UHFFFAOYSA-N 1 2 319.412 3.971 40 0 DHABLO c1ccc(CNc2cc(N3CCc4ccccc4C3)nc[nH+]2)cc1 ZINC000243202116 563604607 /nfs/dbraw/zinc/60/46/07/563604607.db2.gz KFPZNASDTQNXKP-UHFFFAOYSA-N 1 2 316.408 3.651 40 0 DHABLO c1ccc(CNc2cc(N3CCc4ccccc4C3)[nH+]cn2)cc1 ZINC000243202116 563604611 /nfs/dbraw/zinc/60/46/11/563604611.db2.gz KFPZNASDTQNXKP-UHFFFAOYSA-N 1 2 316.408 3.651 40 0 DHABLO Cc1cccc(CSCCNC(=S)Nc2cc[nH+]cc2)c1 ZINC000225339567 563752248 /nfs/dbraw/zinc/75/22/48/563752248.db2.gz OBIWLBSQVOJHBH-UHFFFAOYSA-N 1 2 317.483 3.610 40 0 DHABLO CC[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(OC)cc1 ZINC000225491188 563757358 /nfs/dbraw/zinc/75/73/58/563757358.db2.gz IKANASRMQPWSPA-OAHLLOKOSA-N 1 2 301.415 3.528 40 0 DHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)[nH+]1 ZINC000257254964 563792708 /nfs/dbraw/zinc/79/27/08/563792708.db2.gz KFMYYLMQUBTONJ-CQSZACIVSA-N 1 2 317.458 3.891 40 0 DHABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329010269 563832923 /nfs/dbraw/zinc/83/29/23/563832923.db2.gz MAJFNNDHTSPDKA-UHFFFAOYSA-N 1 2 322.456 3.913 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2cc(C)ccc2C)cc(C2CC2)[nH+]1 ZINC000329007234 563832930 /nfs/dbraw/zinc/83/29/30/563832930.db2.gz LJMJDBASIAMTKW-CQSZACIVSA-N 1 2 310.445 3.769 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2cc(C)cc(C)c2)cc(C2CC2)[nH+]1 ZINC000328963827 563832998 /nfs/dbraw/zinc/83/29/98/563832998.db2.gz BRSSEDMPBFUJJT-AWEZNQCLSA-N 1 2 310.445 3.769 40 0 DHABLO CC(C)Nc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329052645 563833624 /nfs/dbraw/zinc/83/36/24/563833624.db2.gz VDIWHGBSIKNBQI-UHFFFAOYSA-N 1 2 320.799 3.554 40 0 DHABLO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000096296199 563936243 /nfs/dbraw/zinc/93/62/43/563936243.db2.gz JSKZCKLZWFUNER-INIZCTEOSA-N 1 2 317.408 3.635 40 0 biogenic,in-vitro DHABLO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000096296199 563936244 /nfs/dbraw/zinc/93/62/44/563936244.db2.gz JSKZCKLZWFUNER-INIZCTEOSA-N 1 2 317.408 3.635 40 0 biogenic,in-vitro DHABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329064651 563959931 /nfs/dbraw/zinc/95/99/31/563959931.db2.gz XKQXAHXBAMGKMA-UHFFFAOYSA-N 1 2 300.381 4.365 40 0 DHABLO Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329071325 563960184 /nfs/dbraw/zinc/96/01/84/563960184.db2.gz ZOQIPDVXSOPMKR-UHFFFAOYSA-N 1 2 324.428 4.548 40 0 DHABLO Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)C(C)C)nc2)[nH+]1 ZINC000072353027 191129500 /nfs/dbraw/zinc/12/95/00/191129500.db2.gz YAVPJPWCYNMTLD-QGZVFWFLSA-N 1 2 324.428 3.848 40 0 DHABLO COc1ccc2cc3c(nc2c1)OCC[N@@H+](Cc1ccccc1)C3 ZINC000072392267 191147901 /nfs/dbraw/zinc/14/79/01/191147901.db2.gz LWPGCQYTADISPL-UHFFFAOYSA-N 1 2 320.392 3.638 40 0 DHABLO COc1ccc2cc3c(nc2c1)OCC[N@H+](Cc1ccccc1)C3 ZINC000072392267 191147902 /nfs/dbraw/zinc/14/79/02/191147902.db2.gz LWPGCQYTADISPL-UHFFFAOYSA-N 1 2 320.392 3.638 40 0 DHABLO CNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212531 257126995 /nfs/dbraw/zinc/12/69/95/257126995.db2.gz AZPOFURFFQIBQF-INIZCTEOSA-N 1 2 311.385 3.597 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212805 257127203 /nfs/dbraw/zinc/12/72/03/257127203.db2.gz QTJUEMLWFTXLHD-OAHLLOKOSA-N 1 2 319.449 4.000 40 0 DHABLO CNc1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212532 257127378 /nfs/dbraw/zinc/12/73/78/257127378.db2.gz AZPOFURFFQIBQF-MRXNPFEDSA-N 1 2 311.385 3.597 40 0 DHABLO CCOC(=O)c1c[nH+]c2c(CC)cccc2c1N(CC)CC ZINC000064874796 257129178 /nfs/dbraw/zinc/12/91/78/257129178.db2.gz DGBYEWLZTKXPIN-UHFFFAOYSA-N 1 2 300.402 3.820 40 0 DHABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1cccc(Cl)c1)C2 ZINC000409197742 257221505 /nfs/dbraw/zinc/22/15/05/257221505.db2.gz NSHDSSQOZNKNCL-UHFFFAOYSA-N 1 2 314.816 3.911 40 0 DHABLO CSc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044884569 563463159 /nfs/dbraw/zinc/46/31/59/563463159.db2.gz UBOHXMQXAPVTDA-UHFFFAOYSA-N 1 2 323.421 3.524 40 0 DHABLO S=C(NCCCc1ccccc1Cl)Nc1cc[nH+]cc1 ZINC000225542555 563758086 /nfs/dbraw/zinc/75/80/86/563758086.db2.gz ISNFZDCEQKPVKP-UHFFFAOYSA-N 1 2 305.834 3.654 40 0 DHABLO CNc1nc(Nc2c(C)cc(C)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329060236 563833468 /nfs/dbraw/zinc/83/34/68/563833468.db2.gz WKMXNAINSUCWOA-UHFFFAOYSA-N 1 2 318.424 3.698 40 0 DHABLO Cc1cc[nH+]c(Nc2cccc(I)c2)c1 ZINC000199714434 563914360 /nfs/dbraw/zinc/91/43/60/563914360.db2.gz GAWADSTVPHZVMG-UHFFFAOYSA-N 1 2 310.138 3.738 40 0 DHABLO CC(C)Nc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000242496749 1018461720 /nfs/dbraw/zinc/46/17/20/1018461720.db2.gz BSOIGGSASGBFBG-UHFFFAOYSA-N 1 2 319.412 3.971 40 0 DHABLO O[C@@H](CNc1cccc[nH+]1)COc1ccc(-c2ccccc2)cc1 ZINC000016780237 182060595 /nfs/dbraw/zinc/06/05/95/182060595.db2.gz OIQNAQQMADINQQ-SFHVURJKSA-N 1 2 320.392 3.600 40 0 DHABLO C[C@@H](C(=O)Nc1ccc(-c2cccc(F)c2)cc1)n1cc[nH+]c1 ZINC000019080613 182103882 /nfs/dbraw/zinc/10/38/82/182103882.db2.gz MTNDUAPVKGLKJK-ZDUSSCGKSA-N 1 2 309.344 3.889 40 0 DHABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N1CCCCCC1 ZINC000072222481 257124438 /nfs/dbraw/zinc/12/44/38/257124438.db2.gz CWDQQJIRYZKIPC-UHFFFAOYSA-N 1 2 319.449 3.795 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213715 257125867 /nfs/dbraw/zinc/12/58/67/257125867.db2.gz VODBRXYUWBANDW-CQSZACIVSA-N 1 2 303.406 3.728 40 0 DHABLO CCCN(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCC1 ZINC000072214719 257125986 /nfs/dbraw/zinc/12/59/86/257125986.db2.gz XYYANNPRHZSZEV-UHFFFAOYSA-N 1 2 303.406 3.816 40 0 DHABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(Cl)cc1)C2 ZINC000409195253 257221010 /nfs/dbraw/zinc/22/10/10/257221010.db2.gz NVNPHZFCRVDMTQ-UHFFFAOYSA-N 1 2 314.816 3.911 40 0 DHABLO Cc1cc(C[NH+]2CCC(C)(c3ncc(Cl)s3)CC2)no1 ZINC000257205965 563789812 /nfs/dbraw/zinc/78/98/12/563789812.db2.gz BBGVMBSVRMXLFP-UHFFFAOYSA-N 1 2 311.838 3.647 40 0 DHABLO CCCn1nc(C)c(C[N@@H+]2CCn3cccc3[C@@H]2C(C)C)c1C ZINC000012188587 563363618 /nfs/dbraw/zinc/36/36/18/563363618.db2.gz BJZLXTJUVFPNLT-IBGZPJMESA-N 1 2 314.477 3.924 40 0 DHABLO CCCn1nc(C)c(C[N@H+]2CCn3cccc3[C@@H]2C(C)C)c1C ZINC000012188587 563363621 /nfs/dbraw/zinc/36/36/21/563363621.db2.gz BJZLXTJUVFPNLT-IBGZPJMESA-N 1 2 314.477 3.924 40 0 DHABLO CCOc1ccc(-c2nc(Nc3ccccc3)cc(N)[nH+]2)cc1 ZINC000049468020 563467220 /nfs/dbraw/zinc/46/72/20/563467220.db2.gz JNJRTDQIDRQIKI-UHFFFAOYSA-N 1 2 306.369 3.868 40 0 DHABLO CCOc1ccc(-c2nc(N)cc(Nc3ccccc3)[nH+]2)cc1 ZINC000049468020 563467222 /nfs/dbraw/zinc/46/72/22/563467222.db2.gz JNJRTDQIDRQIKI-UHFFFAOYSA-N 1 2 306.369 3.868 40 0 DHABLO S=C(NCc1ccc(-c2ccccc2)o1)Nc1cc[nH+]cc1 ZINC000223910112 563737891 /nfs/dbraw/zinc/73/78/91/563737891.db2.gz OMQUBXHZYWZJAA-UHFFFAOYSA-N 1 2 309.394 3.828 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)[nH+]1 ZINC000257212554 563790436 /nfs/dbraw/zinc/79/04/36/563790436.db2.gz CDXYYUXYFZAVQJ-LBPRGKRZSA-N 1 2 321.783 3.530 40 0 DHABLO Cc1cc(CC2CCN(C(=O)C3CCCCC3)CC2)cc[nH+]1 ZINC000257213429 563790493 /nfs/dbraw/zinc/79/04/93/563790493.db2.gz CHOHKGYLLHTUTG-UHFFFAOYSA-N 1 2 300.446 3.751 40 0 DHABLO CNc1cccc(CC[C@H]2CCCCN2C(=O)c2ccccc2)[nH+]1 ZINC000257223199 563790791 /nfs/dbraw/zinc/79/07/91/563790791.db2.gz DWIMPZXEJMEAFB-GOSISDBHSA-N 1 2 323.440 3.751 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)[nH+]1 ZINC000257268217 563792360 /nfs/dbraw/zinc/79/23/60/563792360.db2.gz MKSLBRLPQXVHIK-OAHLLOKOSA-N 1 2 317.820 3.668 40 0 DHABLO CC(C)(C)c1ccc(-c2n[nH]c([C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533464 563931851 /nfs/dbraw/zinc/93/18/51/563931851.db2.gz UVNIZPJGGOHQTM-MRXNPFEDSA-N 1 2 306.413 3.817 40 0 DHABLO Cc1ccc(-c2nnc([C@H](c3ccccc3)n3cc[nH+]c3)o2)cc1 ZINC000005530136 181253650 /nfs/dbraw/zinc/25/36/50/181253650.db2.gz VIIPWUUMTOEXTC-KRWDZBQOSA-N 1 2 316.364 3.879 40 0 DHABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(Cc1csc(C)n1)C2 ZINC000257309726 203033839 /nfs/dbraw/zinc/03/38/39/203033839.db2.gz UCDPVCYUECQHDC-KRWDZBQOSA-N 1 2 324.453 3.714 40 0 DHABLO CCCn1c(C)cc2cc(NC(=O)[C@H](C)n3cc[nH+]c3)ccc21 ZINC000019525968 182128569 /nfs/dbraw/zinc/12/85/69/182128569.db2.gz GBSWGZRKAKKRKR-AWEZNQCLSA-N 1 2 310.401 3.756 40 0 DHABLO Cc1nn(C)cc1-c1c[nH+]cn1[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000019719469 182137458 /nfs/dbraw/zinc/13/74/58/182137458.db2.gz IVYYPVVCEXRTJD-AWEZNQCLSA-N 1 2 322.412 3.526 40 0 DHABLO CCCN(CCC)c1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225274 257123546 /nfs/dbraw/zinc/12/35/46/257123546.db2.gz NCMYDVIGLUCQQN-UHFFFAOYSA-N 1 2 307.438 3.733 40 0 DHABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212893 257127276 /nfs/dbraw/zinc/12/72/76/257127276.db2.gz NHCDBCAYXFLACM-HNNXBMFYSA-N 1 2 319.449 4.000 40 0 DHABLO CN(C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212625 257127381 /nfs/dbraw/zinc/12/73/81/257127381.db2.gz CBHZBXPXYAJSDZ-AWEZNQCLSA-N 1 2 305.422 3.610 40 0 DHABLO Cc1cnc([C@H](C)[NH2+]Cc2cn(C)nc2C2CCCCC2)o1 ZINC000328771330 334753389 /nfs/dbraw/zinc/75/33/89/334753389.db2.gz GXLDZXFVUQOXOM-ZDUSSCGKSA-N 1 2 302.422 3.615 40 0 DHABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1cccc(C(F)(F)F)c1 ZINC000106303756 526821865 /nfs/dbraw/zinc/82/18/65/526821865.db2.gz ZXNKMFYOWWPVSM-UHFFFAOYSA-N 1 2 320.314 3.660 40 0 DHABLO CCc1[nH+]cc([C@](C)(O)c2ccccc2)n1Cc1ccccc1 ZINC000013281767 563380191 /nfs/dbraw/zinc/38/01/91/563380191.db2.gz MGJWEHDRICUGFI-HXUWFJFHSA-N 1 2 306.409 3.750 40 0 DHABLO C[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031719433 563440463 /nfs/dbraw/zinc/44/04/63/563440463.db2.gz RUSXYSPNUUXXDR-QFBILLFUSA-N 1 2 309.409 3.579 40 0 in-vitro DHABLO c1coc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000243477313 563604478 /nfs/dbraw/zinc/60/44/78/563604478.db2.gz NMNXEWRKYXIPIR-UHFFFAOYSA-N 1 2 306.369 3.923 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)[nH+]1 ZINC000257212553 563790694 /nfs/dbraw/zinc/79/06/94/563790694.db2.gz CDXYYUXYFZAVQJ-GFCCVEGCSA-N 1 2 321.783 3.530 40 0 DHABLO CNc1cc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc[nH+]1 ZINC000257224398 563791005 /nfs/dbraw/zinc/79/10/05/563791005.db2.gz FBQYTRCIJIQLDC-QGZVFWFLSA-N 1 2 320.396 3.582 40 0 DHABLO Cc1c[nH]c([C@H]2COCCN2Cc2cc3ccccc3s2)[nH+]1 ZINC000257230334 563791770 /nfs/dbraw/zinc/79/17/70/563791770.db2.gz GBTZSNHMBZNPIV-OAHLLOKOSA-N 1 2 313.426 3.506 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328985788 563832939 /nfs/dbraw/zinc/83/29/39/563832939.db2.gz HVKOLKKXMVGPPD-GFCCVEGCSA-N 1 2 314.408 3.599 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2cccc(C)c2C)cc(C2CC2)[nH+]1 ZINC000329027112 563833460 /nfs/dbraw/zinc/83/34/60/563833460.db2.gz PQYZBWMBNDMXII-CYBMUJFWSA-N 1 2 310.445 3.769 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[NH+]1CCC(C)CC1 ZINC000216864912 563857171 /nfs/dbraw/zinc/85/71/71/563857171.db2.gz QKPONGFIKIJWCE-UHFFFAOYSA-N 1 2 303.450 3.798 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000329022612 563960319 /nfs/dbraw/zinc/96/03/19/563960319.db2.gz ONKZSYLJJXCSFG-LLVKDONJSA-N 1 2 300.381 4.447 40 0 DHABLO COc1ccc2c(c1)C[C@@H]1c3[nH]c4ccccc4c3CC[N@H+]1C2 ZINC000003590945 181037886 /nfs/dbraw/zinc/03/78/86/181037886.db2.gz CJFJXYGEGHXRNB-LJQANCHMSA-N 1 2 304.393 3.832 40 0 DHABLO COc1ccc2c(c1)C[C@@H]1c3[nH]c4ccccc4c3CC[N@@H+]1C2 ZINC000003590945 181037888 /nfs/dbraw/zinc/03/78/88/181037888.db2.gz CJFJXYGEGHXRNB-LJQANCHMSA-N 1 2 304.393 3.832 40 0 DHABLO COc1ccc([C@](C)(O)c2c[nH+]c(C)n2Cc2ccccc2)cc1 ZINC000005504233 181250397 /nfs/dbraw/zinc/25/03/97/181250397.db2.gz KQLHVDIVHQSWPS-FQEVSTJZSA-N 1 2 322.408 3.504 40 0 DHABLO O=C1Nc2ccccc2N=C(c2ccccc2)[C@@H]1[NH+]1CCCCC1 ZINC000005946741 181299440 /nfs/dbraw/zinc/29/94/40/181299440.db2.gz CFIVRYCEYBLFRY-IBGZPJMESA-N 1 2 319.408 3.614 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000006260717 181323876 /nfs/dbraw/zinc/32/38/76/181323876.db2.gz BMQMLQFXJOOBME-MLGOLLRUSA-N 1 2 319.836 3.553 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@H]1C ZINC000006260717 181323879 /nfs/dbraw/zinc/32/38/79/181323879.db2.gz BMQMLQFXJOOBME-MLGOLLRUSA-N 1 2 319.836 3.553 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000006267811 181324179 /nfs/dbraw/zinc/32/41/79/181324179.db2.gz BMQMLQFXJOOBME-BLLLJJGKSA-N 1 2 319.836 3.553 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@@H]1C ZINC000006267811 181324182 /nfs/dbraw/zinc/32/41/82/181324182.db2.gz BMQMLQFXJOOBME-BLLLJJGKSA-N 1 2 319.836 3.553 40 0 DHABLO COC(=O)[C@H](C)c1cccc([C@@H](c2ccccc2)n2cc[nH+]c2)c1 ZINC000013898178 181908534 /nfs/dbraw/zinc/90/85/34/181908534.db2.gz YRSBGQIQVSGCJT-DNVCBOLYSA-N 1 2 320.392 3.797 40 0 in-man DHABLO C[C@@H](Cc1ccccc1)[NH2+]N1CCO[C@@H](c2ccccc2)[C@H]1C ZINC000019170573 182106360 /nfs/dbraw/zinc/10/63/60/182106360.db2.gz KBRSLPYGHGQKNS-SQGPQFPESA-N 1 2 310.441 3.584 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000019291066 182113913 /nfs/dbraw/zinc/11/39/13/182113913.db2.gz AUJMVCBYNSJNGP-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000019291066 182113916 /nfs/dbraw/zinc/11/39/16/182113916.db2.gz AUJMVCBYNSJNGP-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO COc1ccc(C)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849474 183010953 /nfs/dbraw/zinc/01/09/53/183010953.db2.gz OPFBWWWDINSMAT-UHFFFAOYSA-N 1 2 321.380 3.501 40 0 DHABLO CNc1[nH+]cc([C@H]2CCCCN2C(=O)c2ccccc2)cc1C ZINC000072219017 257124003 /nfs/dbraw/zinc/12/40/03/257124003.db2.gz DPLMSAHVUVOKDZ-QGZVFWFLSA-N 1 2 309.413 3.799 40 0 DHABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072212903 257127075 /nfs/dbraw/zinc/12/70/75/257127075.db2.gz CEKCMQLFRDZOPO-SFHVURJKSA-N 1 2 323.440 3.905 40 0 DHABLO CN(C)c1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212684 257127234 /nfs/dbraw/zinc/12/72/34/257127234.db2.gz VBMZHBURMXNOFS-CQSZACIVSA-N 1 2 305.422 3.610 40 0 DHABLO CCN(C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212713 257127489 /nfs/dbraw/zinc/12/74/89/257127489.db2.gz WEMDHWZDKUMCAB-AWEZNQCLSA-N 1 2 305.422 3.610 40 0 DHABLO O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)n1cc[nH+]c1 ZINC000408734089 257227171 /nfs/dbraw/zinc/22/71/71/257227171.db2.gz IIWBFLOYWKZGQL-MRXNPFEDSA-N 1 2 311.772 3.765 40 0 DHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000012186495 563363801 /nfs/dbraw/zinc/36/38/01/563363801.db2.gz BHWRTOMGXHSKLK-YVEFUNNKSA-N 1 2 317.795 3.839 40 0 DHABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000012186495 563363806 /nfs/dbraw/zinc/36/38/06/563363806.db2.gz BHWRTOMGXHSKLK-YVEFUNNKSA-N 1 2 317.795 3.839 40 0 DHABLO CNc1cccc(CC[C@@H]2CCCCN2C(=O)C2CCCC2)[nH+]1 ZINC000585177159 563525663 /nfs/dbraw/zinc/52/56/63/563525663.db2.gz HWTQZWWDPFQTJT-KRWDZBQOSA-N 1 2 315.461 3.627 40 0 DHABLO CC(C)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000243807754 563604572 /nfs/dbraw/zinc/60/45/72/563604572.db2.gz QOQBABKADXMYOI-OAHLLOKOSA-N 1 2 312.417 3.555 40 0 DHABLO c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000244281027 563604631 /nfs/dbraw/zinc/60/46/31/563604631.db2.gz WUCASHCSRPYOLG-UHFFFAOYSA-N 1 2 308.429 3.784 40 0 DHABLO c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000244281027 563604635 /nfs/dbraw/zinc/60/46/35/563604635.db2.gz WUCASHCSRPYOLG-UHFFFAOYSA-N 1 2 308.429 3.784 40 0 DHABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCCC3CCCCC3)C2)[nH+]1 ZINC000257203009 563789756 /nfs/dbraw/zinc/78/97/56/563789756.db2.gz AOGUFXRYFQMMOZ-INIZCTEOSA-N 1 2 303.450 3.785 40 0 DHABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257241930 563791438 /nfs/dbraw/zinc/79/14/38/563791438.db2.gz IAGQACHSHMSYPU-CYBMUJFWSA-N 1 2 313.430 3.507 40 0 DHABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257241930 563791441 /nfs/dbraw/zinc/79/14/41/563791441.db2.gz IAGQACHSHMSYPU-CYBMUJFWSA-N 1 2 313.430 3.507 40 0 DHABLO CNc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067243 563834252 /nfs/dbraw/zinc/83/42/52/563834252.db2.gz YGUKKPXBKABQSD-UHFFFAOYSA-N 1 2 324.815 3.735 40 0 DHABLO CCOc1ccccc1NC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000007066350 563921914 /nfs/dbraw/zinc/92/19/14/563921914.db2.gz DMFKHKHMHDPYGZ-UHFFFAOYSA-N 1 2 324.424 3.656 40 0 DHABLO CC(C)c1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938587 563927172 /nfs/dbraw/zinc/92/71/72/563927172.db2.gz WUOASZHNGDJSBY-BETUJISGSA-N 1 2 300.402 3.677 40 0 DHABLO CC(C)(C)c1ccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533332 563931838 /nfs/dbraw/zinc/93/18/38/563931838.db2.gz DWZTVVBWUJRXCT-MRXNPFEDSA-N 1 2 324.403 3.956 40 0 DHABLO CC(C)(C)c1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533332 563931839 /nfs/dbraw/zinc/93/18/39/563931839.db2.gz DWZTVVBWUJRXCT-MRXNPFEDSA-N 1 2 324.403 3.956 40 0 DHABLO CC(C)(C)Nc1nc(Nc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329026091 563959699 /nfs/dbraw/zinc/95/96/99/563959699.db2.gz PJUFABYHJAEQLW-UHFFFAOYSA-N 1 2 300.381 4.447 40 0 DHABLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)o1 ZINC000268245141 563961652 /nfs/dbraw/zinc/96/16/52/563961652.db2.gz XYNVEAQCFLMFOE-JQWIXIFHSA-N 1 2 305.447 3.842 40 0 DHABLO CC1(C)C[C@@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2O1 ZINC000225579554 186279900 /nfs/dbraw/zinc/27/99/00/186279900.db2.gz SJWJJIFIMZJOKT-CQSZACIVSA-N 1 2 313.426 3.670 40 0 DHABLO Cc1cccc(C)c1Nc1nc(NC(C)C)[nH+]c(NC(C)C)n1 ZINC000005255735 181222454 /nfs/dbraw/zinc/22/24/54/181222454.db2.gz XQMIEWCFOXKRRY-UHFFFAOYSA-N 1 2 314.437 3.873 40 0 DHABLO Cc1[nH+]cc([C@@](C)(O)c2cccc(C)c2)n1Cc1ccccc1 ZINC000005504112 181250430 /nfs/dbraw/zinc/25/04/30/181250430.db2.gz GEXDFFCKCICNEA-FQEVSTJZSA-N 1 2 306.409 3.804 40 0 DHABLO Cc1[nH+]cc([C@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005504223 181250830 /nfs/dbraw/zinc/25/08/30/181250830.db2.gz XZNGXZNLEGMKLC-GOSISDBHSA-N 1 2 312.800 3.975 40 0 DHABLO Cc1ccc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219851825 201564794 /nfs/dbraw/zinc/56/47/94/201564794.db2.gz CPOHJYBGXQHNDB-UHFFFAOYSA-N 1 2 322.452 3.836 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(F)ccc2F)n1 ZINC000019291061 182113340 /nfs/dbraw/zinc/11/33/40/182113340.db2.gz XPKHDHIBTRDOGF-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2cc(F)ccc2F)n1 ZINC000019291061 182113341 /nfs/dbraw/zinc/11/33/41/182113341.db2.gz XPKHDHIBTRDOGF-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO S=c1scc(-c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000024303209 182378647 /nfs/dbraw/zinc/37/86/47/182378647.db2.gz RQIAVKJICSASTN-UHFFFAOYSA-N 1 2 320.483 3.668 40 0 DHABLO Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212391 257127185 /nfs/dbraw/zinc/12/71/85/257127185.db2.gz XBPKGZZEHOKKJL-INIZCTEOSA-N 1 2 311.385 3.528 40 0 DHABLO COc1ccc2c(c1)C[C@H]1c3[nH]c4ccccc4c3CC[N@H+]1C2 ZINC000001644724 563289296 /nfs/dbraw/zinc/28/92/96/563289296.db2.gz CJFJXYGEGHXRNB-IBGZPJMESA-N 1 2 304.393 3.832 40 0 DHABLO COc1ccc2c(c1)C[C@H]1c3[nH]c4ccccc4c3CC[N@@H+]1C2 ZINC000001644724 563289299 /nfs/dbraw/zinc/28/92/99/563289299.db2.gz CJFJXYGEGHXRNB-IBGZPJMESA-N 1 2 304.393 3.832 40 0 DHABLO CCc1ccc2[nH]c(=O)c(CNc3ccc([NH+](C)C)cc3)cc2c1 ZINC000012088255 563361822 /nfs/dbraw/zinc/36/18/22/563361822.db2.gz MKBUQAROSDYJFA-UHFFFAOYSA-N 1 2 321.424 3.769 40 0 DHABLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(Cl)cc2)c1C ZINC000051234705 563469027 /nfs/dbraw/zinc/46/90/27/563469027.db2.gz PKVTUAFECVFFKD-UHFFFAOYSA-N 1 2 319.792 3.682 40 0 DHABLO CC[N@H+](CCO)[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000095934894 563531408 /nfs/dbraw/zinc/53/14/08/563531408.db2.gz KFDOEMHLULHRKQ-KRWDZBQOSA-N 1 2 317.816 3.578 40 0 DHABLO CC[N@@H+](CCO)[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000095934894 563531411 /nfs/dbraw/zinc/53/14/11/563531411.db2.gz KFDOEMHLULHRKQ-KRWDZBQOSA-N 1 2 317.816 3.578 40 0 DHABLO COc1ccc2cc(Br)ccc2c1Cn1cc[nH+]c1 ZINC000085399424 563569679 /nfs/dbraw/zinc/56/96/79/563569679.db2.gz INWDWDHDXDWTPB-UHFFFAOYSA-N 1 2 317.186 3.856 40 0 DHABLO CC[NH+](CC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000032136029 563769182 /nfs/dbraw/zinc/76/91/82/563769182.db2.gz PCXAWLMFXNPABB-UKTHLTGXSA-N 1 2 324.833 3.676 40 0 DHABLO C[C@H]1CCCC[N@@H+]1Cn1nc(COc2ccccc2)oc1=S ZINC000059484593 563771735 /nfs/dbraw/zinc/77/17/35/563771735.db2.gz BIAIHEFHPTUILN-ZDUSSCGKSA-N 1 2 319.430 3.616 40 0 DHABLO C[C@H]1CCCC[N@H+]1Cn1nc(COc2ccccc2)oc1=S ZINC000059484593 563771738 /nfs/dbraw/zinc/77/17/38/563771738.db2.gz BIAIHEFHPTUILN-ZDUSSCGKSA-N 1 2 319.430 3.616 40 0 DHABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329067646 563834243 /nfs/dbraw/zinc/83/42/43/563834243.db2.gz YJSRDCMVKLXVOK-UHFFFAOYSA-N 1 2 322.456 3.913 40 0 DHABLO CCOc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1 ZINC000006963047 563921897 /nfs/dbraw/zinc/92/18/97/563921897.db2.gz SUYLJCKHCGSHMT-UHFFFAOYSA-N 1 2 324.424 3.656 40 0 DHABLO CC(C)Nc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328964989 563959808 /nfs/dbraw/zinc/95/98/08/563959808.db2.gz CAEKWLXLQUNUQN-UHFFFAOYSA-N 1 2 320.396 4.413 40 0 DHABLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)o1 ZINC000268245139 563961588 /nfs/dbraw/zinc/96/15/88/563961588.db2.gz XYNVEAQCFLMFOE-CMPLNLGQSA-N 1 2 305.447 3.842 40 0 DHABLO CC[C@@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@]31C)C(=O)C2 ZINC000072482125 191181739 /nfs/dbraw/zinc/18/17/39/191181739.db2.gz CTYBGXIPHXPWLF-UXHICEINSA-N 1 2 308.425 3.949 40 0 DHABLO CC[C@@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@@]31C)C(=O)C2 ZINC000072482125 191181741 /nfs/dbraw/zinc/18/17/41/191181741.db2.gz CTYBGXIPHXPWLF-UXHICEINSA-N 1 2 308.425 3.949 40 0 DHABLO c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)o2)cc1 ZINC000005021846 181191660 /nfs/dbraw/zinc/19/16/60/181191660.db2.gz PUMMSKUXKAZGPS-QGZVFWFLSA-N 1 2 320.396 3.859 40 0 DHABLO c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3cccnc3)o2)cc1 ZINC000005021846 181191662 /nfs/dbraw/zinc/19/16/62/181191662.db2.gz PUMMSKUXKAZGPS-QGZVFWFLSA-N 1 2 320.396 3.859 40 0 DHABLO Cc1[nH+]cc([C@H](O)c2cccc(Cl)c2)n1Cc1ccccc1 ZINC000005504226 181250603 /nfs/dbraw/zinc/25/06/03/181250603.db2.gz CSKXPFXFIQQXMA-GOSISDBHSA-N 1 2 312.800 3.975 40 0 DHABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(C)cs3)C2)cc[nH+]1 ZINC000257315875 203041500 /nfs/dbraw/zinc/04/15/00/203041500.db2.gz VDBPCRLBJGUTPJ-CQSZACIVSA-N 1 2 315.442 3.513 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)[nH+]1 ZINC000257335083 203058923 /nfs/dbraw/zinc/05/89/23/203058923.db2.gz YIPWBSABEDKCJA-SFHVURJKSA-N 1 2 319.408 3.778 40 0 DHABLO Cc1nc(N2CCC[C@H]2c2ncc(Cc3ccccc3)o2)cc[nH+]1 ZINC000257344472 203066104 /nfs/dbraw/zinc/06/61/04/203066104.db2.gz ZXJMLWATEPUTOO-KRWDZBQOSA-N 1 2 320.396 3.705 40 0 DHABLO Cc1nc(N2CCC[C@@H]2c2ncc(Cc3ccccc3)o2)cc[nH+]1 ZINC000257344473 203067187 /nfs/dbraw/zinc/06/71/87/203067187.db2.gz ZXJMLWATEPUTOO-QGZVFWFLSA-N 1 2 320.396 3.705 40 0 DHABLO CCOC(=O)c1c(/C=C/[NH+](C)C)onc1-c1ccc(Cl)cc1 ZINC000261361167 203070318 /nfs/dbraw/zinc/07/03/18/203070318.db2.gz FSTQHDRPLFZYMM-MDZDMXLPSA-N 1 2 320.776 3.704 40 0 DHABLO Cc1nonc1C[N@@H+](C)Cc1cccc(-c2ccc(F)cc2)c1 ZINC000019658560 182135006 /nfs/dbraw/zinc/13/50/06/182135006.db2.gz KNZKATCFPLHXHH-UHFFFAOYSA-N 1 2 311.360 3.816 40 0 DHABLO Cc1nonc1C[N@H+](C)Cc1cccc(-c2ccc(F)cc2)c1 ZINC000019658560 182135009 /nfs/dbraw/zinc/13/50/09/182135009.db2.gz KNZKATCFPLHXHH-UHFFFAOYSA-N 1 2 311.360 3.816 40 0 DHABLO CNc1[nH+]cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1C ZINC000072219008 257124347 /nfs/dbraw/zinc/12/43/47/257124347.db2.gz PAPYIOYNNYUPJJ-AWEZNQCLSA-N 1 2 305.422 3.894 40 0 DHABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214052 257126017 /nfs/dbraw/zinc/12/60/17/257126017.db2.gz KWIXBKBTZIMZSD-QGZVFWFLSA-N 1 2 301.434 3.900 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213785 257126702 /nfs/dbraw/zinc/12/67/02/257126702.db2.gz AFPINRBAQLRAMF-QGZVFWFLSA-N 1 2 307.397 3.633 40 0 DHABLO CC(=O)N1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)[nH+]c1 ZINC000072212991 257127129 /nfs/dbraw/zinc/12/71/29/257127129.db2.gz GRUINCSPJZAZSC-QGZVFWFLSA-N 1 2 303.450 3.778 40 0 DHABLO CCN(C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212714 257127183 /nfs/dbraw/zinc/12/71/83/257127183.db2.gz WEMDHWZDKUMCAB-CQSZACIVSA-N 1 2 305.422 3.610 40 0 DHABLO CCCNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213131 257127269 /nfs/dbraw/zinc/12/72/69/257127269.db2.gz IVRSJQYWJOJZDE-AWEZNQCLSA-N 1 2 305.422 3.976 40 0 DHABLO CNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212472 257127493 /nfs/dbraw/zinc/12/74/93/257127493.db2.gz UVWPGTNVXQUVCJ-MRXNPFEDSA-N 1 2 311.385 3.597 40 0 DHABLO CCc1ccccc1NC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000409195500 257221511 /nfs/dbraw/zinc/22/15/11/257221511.db2.gz QCSLJEKAHQLZFJ-UHFFFAOYSA-N 1 2 308.425 3.820 40 0 DHABLO Cc1[nH+]c2cc(NC(=O)Nc3ccc(N(C)C)cc3)ccc2n1C ZINC000409149196 257221807 /nfs/dbraw/zinc/22/18/07/257221807.db2.gz YYVJYQNAAYPZSK-UHFFFAOYSA-N 1 2 323.400 3.592 40 0 DHABLO Cc1cc(CC(O)(C(F)(F)Cl)C(F)(F)Cl)cc(C)[nH+]1 ZINC000001614913 563288159 /nfs/dbraw/zinc/28/81/59/563288159.db2.gz LZUVAJDQVUTZNW-UHFFFAOYSA-N 1 2 320.113 3.635 40 0 DHABLO CC(=O)N1c2ccc(-c3cn4cc(C)ccc4[nH+]3)cc2C[C@@H]1C ZINC000012088208 563361677 /nfs/dbraw/zinc/36/16/77/563361677.db2.gz OIBUCPMHYIRHPO-ZDUSSCGKSA-N 1 2 305.381 3.607 40 0 DHABLO CCCn1nc(C)c(C[N@@H+]2CCn3cccc3[C@H]2C(C)C)c1C ZINC000012188589 563363702 /nfs/dbraw/zinc/36/37/02/563363702.db2.gz BJZLXTJUVFPNLT-LJQANCHMSA-N 1 2 314.477 3.924 40 0 DHABLO CCCn1nc(C)c(C[N@H+]2CCn3cccc3[C@H]2C(C)C)c1C ZINC000012188589 563363704 /nfs/dbraw/zinc/36/37/04/563363704.db2.gz BJZLXTJUVFPNLT-LJQANCHMSA-N 1 2 314.477 3.924 40 0 DHABLO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCC[C@H](C)C2)c1 ZINC000015880893 563410832 /nfs/dbraw/zinc/41/08/32/563410832.db2.gz LIWJPMXVOSLQCB-AWEZNQCLSA-N 1 2 321.428 3.669 40 0 DHABLO CSc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N)[nH+]1 ZINC000049467385 563467775 /nfs/dbraw/zinc/46/77/75/563467775.db2.gz RQCGLMRWDJWAKX-UHFFFAOYSA-N 1 2 301.202 3.831 40 0 DHABLO CSc1nc(N)cc(Nc2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000049467385 563467776 /nfs/dbraw/zinc/46/77/76/563467776.db2.gz RQCGLMRWDJWAKX-UHFFFAOYSA-N 1 2 301.202 3.831 40 0 DHABLO CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000328965999 563832952 /nfs/dbraw/zinc/83/29/52/563832952.db2.gz CIIIKPPVSYTHER-UHFFFAOYSA-N 1 2 323.227 3.680 40 0 DHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c(Cl)c1 ZINC000329005797 563833022 /nfs/dbraw/zinc/83/30/22/563833022.db2.gz KYXCRTLWZCWBBU-UHFFFAOYSA-N 1 2 316.836 3.724 40 0 DHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1Cl ZINC000329032686 563833500 /nfs/dbraw/zinc/83/35/00/563833500.db2.gz QOYXNYTVLIKWPP-UHFFFAOYSA-N 1 2 316.836 3.724 40 0 DHABLO CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000329066275 563834425 /nfs/dbraw/zinc/83/44/25/563834425.db2.gz XYMQRMHKWRQVFJ-LBPRGKRZSA-N 1 2 316.836 3.903 40 0 DHABLO CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000329066275 563834428 /nfs/dbraw/zinc/83/44/28/563834428.db2.gz XYMQRMHKWRQVFJ-LBPRGKRZSA-N 1 2 316.836 3.903 40 0 DHABLO Cc1ccc(-c2nnc([C@@H](c3ccccc3)n3cc[nH+]c3)o2)cc1 ZINC000005530132 181253853 /nfs/dbraw/zinc/25/38/53/181253853.db2.gz VIIPWUUMTOEXTC-QGZVFWFLSA-N 1 2 316.364 3.879 40 0 DHABLO Brc1ccc(N2CC[NH+]=C2c2ccccc2)cc1 ZINC000006756924 181384006 /nfs/dbraw/zinc/38/40/06/181384006.db2.gz OUQVCKOJPBAYBG-UHFFFAOYSA-N 1 2 301.187 3.716 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)[nH+]1 ZINC000257335082 203058812 /nfs/dbraw/zinc/05/88/12/203058812.db2.gz YIPWBSABEDKCJA-GOSISDBHSA-N 1 2 319.408 3.778 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3ccccc3s2)[nH+]1 ZINC000257341953 203064472 /nfs/dbraw/zinc/06/44/72/203064472.db2.gz ZMOBLNWHFLMLSG-CYBMUJFWSA-N 1 2 311.410 3.910 40 0 DHABLO O[C@H](CNc1cccc[nH+]1)COc1ccc(-c2ccccc2)cc1 ZINC000016780239 182060974 /nfs/dbraw/zinc/06/09/74/182060974.db2.gz OIQNAQQMADINQQ-GOSISDBHSA-N 1 2 320.392 3.600 40 0 DHABLO COc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1Br ZINC000022124674 182309193 /nfs/dbraw/zinc/30/91/93/182309193.db2.gz OIKJBZNLKPJRKE-UHFFFAOYSA-N 1 2 318.174 3.583 40 0 DHABLO COc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)cc1 ZINC000049467968 563467648 /nfs/dbraw/zinc/46/76/48/563467648.db2.gz FMMZCGZIWAYYCF-UHFFFAOYSA-N 1 2 310.332 3.617 40 0 DHABLO COc1ccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)cc1 ZINC000049467968 563467649 /nfs/dbraw/zinc/46/76/49/563467649.db2.gz FMMZCGZIWAYYCF-UHFFFAOYSA-N 1 2 310.332 3.617 40 0 DHABLO CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000071997305 563502097 /nfs/dbraw/zinc/50/20/97/563502097.db2.gz BKXPOAVCEODVST-UHFFFAOYSA-N 1 2 313.445 3.876 40 0 DHABLO COc1ccc(NC(=O)CCn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000000418156 563608737 /nfs/dbraw/zinc/60/87/37/563608737.db2.gz WVFVFCLIJRWLQA-UHFFFAOYSA-N 1 2 323.396 3.691 40 0 DHABLO S=C(NCCCc1ccc(Cl)cc1)Nc1cc[nH+]cc1 ZINC000225545764 563758628 /nfs/dbraw/zinc/75/86/28/563758628.db2.gz LQIZBCMZVVLZTL-UHFFFAOYSA-N 1 2 305.834 3.654 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)[nH+]1 ZINC000257211019 563789718 /nfs/dbraw/zinc/78/97/18/563789718.db2.gz BXDIPQZFGBTPGZ-GOSISDBHSA-N 1 2 323.440 3.617 40 0 DHABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCCC3CCCCC3)C2)[nH+]1 ZINC000257203010 563789913 /nfs/dbraw/zinc/78/99/13/563789913.db2.gz AOGUFXRYFQMMOZ-MRXNPFEDSA-N 1 2 303.450 3.785 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2csc(C(C)C)c2)[nH+]1 ZINC000257265181 563792440 /nfs/dbraw/zinc/79/24/40/563792440.db2.gz LXQKLHBPKOSFSQ-ZDUSSCGKSA-N 1 2 303.431 3.880 40 0 DHABLO COc1cc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)cc(OC)c1OC ZINC000070462784 563813173 /nfs/dbraw/zinc/81/31/73/563813173.db2.gz CXLQGKYOYJKZLD-UHFFFAOYSA-N 1 2 312.369 3.873 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2ccc(C)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328985794 563833064 /nfs/dbraw/zinc/83/30/64/563833064.db2.gz HVKOLKKXMVGPPD-LBPRGKRZSA-N 1 2 314.408 3.599 40 0 DHABLO CCNc1nc(Nc2c(C)cccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329063935 563833447 /nfs/dbraw/zinc/83/34/47/563833447.db2.gz XGODOWDAFQJXMF-UHFFFAOYSA-N 1 2 318.424 3.780 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2cccc(F)c2C)cc(C2CC2)[nH+]1 ZINC000329023523 563833666 /nfs/dbraw/zinc/83/36/66/563833666.db2.gz OUPWTGNFYSPDOL-LLVKDONJSA-N 1 2 314.408 3.599 40 0 DHABLO Cc1ccc(Cl)cc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000155494189 563895183 /nfs/dbraw/zinc/89/51/83/563895183.db2.gz NHYLRYFQKVXBTR-UHFFFAOYSA-N 1 2 300.789 3.603 40 0 DHABLO COC(=O)[C@@H](C)c1cccc([C@H](c2ccccc2)n2cc[nH+]c2)c1 ZINC000003777867 181045561 /nfs/dbraw/zinc/04/55/61/181045561.db2.gz YRSBGQIQVSGCJT-KXBFYZLASA-N 1 2 320.392 3.797 40 0 in-man DHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3csc(C(C)C)c3)C2)[nH+]1 ZINC000257334848 203056187 /nfs/dbraw/zinc/05/61/87/203056187.db2.gz YHPQRCKZGAOIHJ-ZDUSSCGKSA-N 1 2 317.458 3.923 40 0 DHABLO OCCCc1[nH+]c2cccc(Cl)c2n1Cc1ccccc1 ZINC000095095683 193423749 /nfs/dbraw/zinc/42/37/49/193423749.db2.gz HBFFGHSGKXSPKK-UHFFFAOYSA-N 1 2 300.789 3.663 40 0 DHABLO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)cc1O ZINC000019119392 182105320 /nfs/dbraw/zinc/10/53/20/182105320.db2.gz FLSBELFFSWFAMO-MRXNPFEDSA-N 1 2 316.401 3.815 40 0 DHABLO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)cc1O ZINC000019119392 182105321 /nfs/dbraw/zinc/10/53/21/182105321.db2.gz FLSBELFFSWFAMO-MRXNPFEDSA-N 1 2 316.401 3.815 40 0 DHABLO Cc1nc2ccccc2n1Cc1cc(NC2(C)CCC2)nc(C)[nH+]1 ZINC000019655846 182134502 /nfs/dbraw/zinc/13/45/02/182134502.db2.gz AJWXYCKKCVZZJR-UHFFFAOYSA-N 1 2 321.428 3.846 40 0 DHABLO CCCCCCc1cc(O)c2c(c1)oc(=O)c1c2CC[N@H+](C)C1 ZINC000019855587 182156955 /nfs/dbraw/zinc/15/69/55/182156955.db2.gz ZHYWJBGMWFNSCN-UHFFFAOYSA-N 1 2 315.413 3.609 40 0 DHABLO CCCCCCc1cc(O)c2c(c1)oc(=O)c1c2CC[N@@H+](C)C1 ZINC000019855587 182156956 /nfs/dbraw/zinc/15/69/56/182156956.db2.gz ZHYWJBGMWFNSCN-UHFFFAOYSA-N 1 2 315.413 3.609 40 0 DHABLO CCNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213103 257127216 /nfs/dbraw/zinc/12/72/16/257127216.db2.gz PTQBSVDEBVNJFT-CQSZACIVSA-N 1 2 305.422 3.976 40 0 DHABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212894 257127402 /nfs/dbraw/zinc/12/74/02/257127402.db2.gz NHCDBCAYXFLACM-OAHLLOKOSA-N 1 2 319.449 4.000 40 0 DHABLO CCNc1nc(Nc2c(C)cc(Cl)cc2C)cc(C2CC2)[nH+]1 ZINC000329016903 528001018 /nfs/dbraw/zinc/00/10/18/528001018.db2.gz NKCIPUUJNFPEPI-UHFFFAOYSA-N 1 2 316.836 3.643 40 0 DHABLO CC[C@H](C)Cn1c(CCCCCNC(C)=O)[nH+]c2ccccc21 ZINC000007343672 563338106 /nfs/dbraw/zinc/33/81/06/563338106.db2.gz DXEUCGXQKWASKS-HNNXBMFYSA-N 1 2 315.461 3.931 40 0 DHABLO COc1c(C)c[nH+]c(CSc2nc3cc(O)ccc3[nH]2)c1C ZINC000035643828 563453840 /nfs/dbraw/zinc/45/38/40/563453840.db2.gz QAPIOBRWGYAHRI-UHFFFAOYSA-N 1 2 315.398 3.581 40 0 in-vitro DHABLO COc1c(C)c[nH+]c(CSc2nc3ccc(O)cc3[nH]2)c1C ZINC000035643828 563453843 /nfs/dbraw/zinc/45/38/43/563453843.db2.gz QAPIOBRWGYAHRI-UHFFFAOYSA-N 1 2 315.398 3.581 40 0 in-vitro DHABLO COc1ccccc1Nc1cc(N)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467991 563467304 /nfs/dbraw/zinc/46/73/04/563467304.db2.gz OKACYFXKNNRLTM-UHFFFAOYSA-N 1 2 310.332 3.617 40 0 DHABLO CC(=O)c1cccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)c1 ZINC000049467987 563467720 /nfs/dbraw/zinc/46/77/20/563467720.db2.gz UQGGAVZLOJMWIS-UHFFFAOYSA-N 1 2 322.343 3.811 40 0 DHABLO CC(=O)c1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)c1 ZINC000049467987 563467722 /nfs/dbraw/zinc/46/77/22/563467722.db2.gz UQGGAVZLOJMWIS-UHFFFAOYSA-N 1 2 322.343 3.811 40 0 DHABLO CCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060603745 563479537 /nfs/dbraw/zinc/47/95/37/563479537.db2.gz OXOGJWQCGNPLNY-UHFFFAOYSA-N 1 2 319.408 3.594 40 0 DHABLO c1ccc([C@@H]2NC(c3cccnc3)[NH2+][C@H]2c2ccccc2)cc1 ZINC000095864407 563530821 /nfs/dbraw/zinc/53/08/21/563530821.db2.gz PIERABFKEOQDML-OALUTQOASA-N 1 2 301.393 3.756 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2cc(C)ccc2C)cc(C2CC2)[nH+]1 ZINC000329007233 563832757 /nfs/dbraw/zinc/83/27/57/563832757.db2.gz LJMJDBASIAMTKW-AWEZNQCLSA-N 1 2 310.445 3.769 40 0 DHABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329018008 563833865 /nfs/dbraw/zinc/83/38/65/563833865.db2.gz NOTUZRNTUKLIIO-UHFFFAOYSA-N 1 2 310.445 3.633 40 0 DHABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC(C)(C)C)n2)cc1 ZINC000067898679 563950514 /nfs/dbraw/zinc/95/05/14/563950514.db2.gz UQMXOAOHPQFRNU-KRWDZBQOSA-N 1 2 313.445 3.805 40 0 biogenic,in-vitro DHABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC(C)(C)C)n2)cc1 ZINC000067898679 563950516 /nfs/dbraw/zinc/95/05/16/563950516.db2.gz UQMXOAOHPQFRNU-KRWDZBQOSA-N 1 2 313.445 3.805 40 0 biogenic,in-vitro DHABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329056765 563959843 /nfs/dbraw/zinc/95/98/43/563959843.db2.gz VUNCXNLIJBAVON-UHFFFAOYSA-N 1 2 308.307 4.158 40 0 DHABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC)n2)cc1 ZINC000328975454 563960111 /nfs/dbraw/zinc/96/01/11/563960111.db2.gz FKQJDOCOCZTCAW-UHFFFAOYSA-N 1 2 320.396 4.328 40 0 DHABLO Cc1ccc([C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)nc1 ZINC000257296969 203020982 /nfs/dbraw/zinc/02/09/82/203020982.db2.gz RFFKOWFGDKNUDO-HXUWFJFHSA-N 1 2 319.408 3.512 40 0 DHABLO Cc1ccc([C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)nc1 ZINC000257296969 203020987 /nfs/dbraw/zinc/02/09/87/203020987.db2.gz RFFKOWFGDKNUDO-HXUWFJFHSA-N 1 2 319.408 3.512 40 0 DHABLO c1csc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000257331914 203054258 /nfs/dbraw/zinc/05/42/58/203054258.db2.gz XUVKNDBLLZBZJW-AWEZNQCLSA-N 1 2 313.430 3.589 40 0 DHABLO c1csc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000257331914 203054261 /nfs/dbraw/zinc/05/42/61/203054261.db2.gz XUVKNDBLLZBZJW-AWEZNQCLSA-N 1 2 313.430 3.589 40 0 DHABLO Cc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020050822 182183821 /nfs/dbraw/zinc/18/38/21/182183821.db2.gz SDPCEXAXMOYTFV-DHZHZOJOSA-N 1 2 317.392 3.510 40 0 DHABLO CN(Cc1ccccc1)c1ccc([C@H](O)c2ccccc2)c[nH+]1 ZINC000072225371 257123298 /nfs/dbraw/zinc/12/32/98/257123298.db2.gz JMRRVPUTQIKHLX-HXUWFJFHSA-N 1 2 304.393 3.800 40 0 DHABLO CNc1[nH+]cc([C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C ZINC000072219009 257123953 /nfs/dbraw/zinc/12/39/53/257123953.db2.gz PAPYIOYNNYUPJJ-CQSZACIVSA-N 1 2 305.422 3.894 40 0 DHABLO CC(=O)N1CCCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216677 257125164 /nfs/dbraw/zinc/12/51/64/257125164.db2.gz RVWVUXUWPOLEOI-KRWDZBQOSA-N 1 2 301.434 3.536 40 0 DHABLO CCCNc1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072213142 257127039 /nfs/dbraw/zinc/12/70/39/257127039.db2.gz OCHZIXQISLPVLR-QGZVFWFLSA-N 1 2 309.413 3.881 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072212784 257127284 /nfs/dbraw/zinc/12/72/84/257127284.db2.gz VKEYEUGNERIGHX-QGZVFWFLSA-N 1 2 309.413 3.515 40 0 DHABLO CN(C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212633 257127501 /nfs/dbraw/zinc/12/75/01/257127501.db2.gz LYMKLMMRHRNKBX-QGZVFWFLSA-N 1 2 309.413 3.515 40 0 DHABLO Cc1[nH+]cc([C@](C)(O)c2cccc(C)c2)n1Cc1ccccc1 ZINC000013281781 563380298 /nfs/dbraw/zinc/38/02/98/563380298.db2.gz GEXDFFCKCICNEA-HXUWFJFHSA-N 1 2 306.409 3.804 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@H+]1CCCC[C@@H]1C ZINC000216864569 563711475 /nfs/dbraw/zinc/71/14/75/563711475.db2.gz ZWOLKIKNKHACAC-ZDUSSCGKSA-N 1 2 303.450 3.941 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@@H+]1CCCC[C@@H]1C ZINC000216864569 563711476 /nfs/dbraw/zinc/71/14/76/563711476.db2.gz ZWOLKIKNKHACAC-ZDUSSCGKSA-N 1 2 303.450 3.941 40 0 DHABLO Fc1ccc(Cc2cnc([C@@H]3CCN(c4cccc[nH+]4)C3)o2)cc1 ZINC000257200750 563789818 /nfs/dbraw/zinc/78/98/18/563789818.db2.gz AETGIRPGFNFBGP-OAHLLOKOSA-N 1 2 323.371 3.793 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)[nH+]1 ZINC000257268216 563792514 /nfs/dbraw/zinc/79/25/14/563792514.db2.gz MKSLBRLPQXVHIK-HNNXBMFYSA-N 1 2 317.820 3.668 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2oc3ccccc3c2C)[nH+]1 ZINC000257300737 203024809 /nfs/dbraw/zinc/02/48/09/203024809.db2.gz RVMTYOYUPUSYOP-CQSZACIVSA-N 1 2 309.369 3.750 40 0 DHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)[nH+]1 ZINC000257287615 203014322 /nfs/dbraw/zinc/01/43/22/203014322.db2.gz PQSKNBMMGICVSO-MRXNPFEDSA-N 1 2 323.396 3.760 40 0 DHABLO C[C@H](C(=O)Nc1ccc(-c2cccc(F)c2)cc1)n1cc[nH+]c1 ZINC000019080615 182103685 /nfs/dbraw/zinc/10/36/85/182103685.db2.gz MTNDUAPVKGLKJK-CYBMUJFWSA-N 1 2 309.344 3.889 40 0 DHABLO Cc1ccc2cc3c(nc2c1)OCC[N@@H+](Cc1ccccc1)C3 ZINC000019234311 182111051 /nfs/dbraw/zinc/11/10/51/182111051.db2.gz YNRWMAYSHOGBPW-UHFFFAOYSA-N 1 2 304.393 3.938 40 0 DHABLO Cc1ccc2cc3c(nc2c1)OCC[N@H+](Cc1ccccc1)C3 ZINC000019234311 182111053 /nfs/dbraw/zinc/11/10/53/182111053.db2.gz YNRWMAYSHOGBPW-UHFFFAOYSA-N 1 2 304.393 3.938 40 0 DHABLO O[C@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225769 257123356 /nfs/dbraw/zinc/12/33/56/257123356.db2.gz ICCBLOPQFMVVEV-OAQYLSRUSA-N 1 2 316.404 3.726 40 0 DHABLO CN(C)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212685 257127211 /nfs/dbraw/zinc/12/72/11/257127211.db2.gz VBMZHBURMXNOFS-AWEZNQCLSA-N 1 2 305.422 3.610 40 0 DHABLO CCN(CC)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212834 257127214 /nfs/dbraw/zinc/12/72/14/257127214.db2.gz UMUKMRYXDNLCJZ-OAHLLOKOSA-N 1 2 319.449 4.000 40 0 DHABLO Cc1cc(CC2CCN(C(=O)c3cccs3)CC2)cc[nH+]1 ZINC000257219511 563790349 /nfs/dbraw/zinc/79/03/49/563790349.db2.gz DHAYJVQHECXRQE-UHFFFAOYSA-N 1 2 300.427 3.546 40 0 DHABLO CCc1[nH]c2ccc(NC(=O)c3csc(C(C)=O)c3)cc2[nH+]1 ZINC000012116927 563362609 /nfs/dbraw/zinc/36/26/09/563362609.db2.gz WWBNESLWDCWTTK-UHFFFAOYSA-N 1 2 313.382 3.642 40 0 DHABLO CC[N@H+](CCCNC(=O)c1cccc(F)c1)c1ccc(C)cc1 ZINC000224959926 563745672 /nfs/dbraw/zinc/74/56/72/563745672.db2.gz RXWRQRBEDKWPHW-UHFFFAOYSA-N 1 2 314.404 3.781 40 0 DHABLO CC[N@@H+](CCCNC(=O)c1cccc(F)c1)c1ccc(C)cc1 ZINC000224959926 563745673 /nfs/dbraw/zinc/74/56/73/563745673.db2.gz RXWRQRBEDKWPHW-UHFFFAOYSA-N 1 2 314.404 3.781 40 0 DHABLO CC(C)[N@@H+]1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000257261052 563792474 /nfs/dbraw/zinc/79/24/74/563792474.db2.gz LFNMHYAMCXXWNQ-CYBMUJFWSA-N 1 2 303.435 3.612 40 0 DHABLO CC(C)[N@H+]1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000257261052 563792475 /nfs/dbraw/zinc/79/24/75/563792475.db2.gz LFNMHYAMCXXWNQ-CYBMUJFWSA-N 1 2 303.435 3.612 40 0 DHABLO CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329040278 563833838 /nfs/dbraw/zinc/83/38/38/563833838.db2.gz SCFZVGWMHCXQAO-UHFFFAOYSA-N 1 2 323.227 3.680 40 0 DHABLO Cc1cccc(C(=O)Nc2cc([NH+]3CCCC3)c(C)cc2N)c1 ZINC000216865864 563856390 /nfs/dbraw/zinc/85/63/90/563856390.db2.gz XOLRVNQUPXDBNT-UHFFFAOYSA-N 1 2 309.413 3.738 40 0 DHABLO CC(C)(C)Nc1nc(Nc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000329036451 563959603 /nfs/dbraw/zinc/95/96/03/563959603.db2.gz RIVMLPZOXIAKPL-UHFFFAOYSA-N 1 2 300.381 4.447 40 0 DHABLO CNc1nc(Nc2ccc(F)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329027020 563959895 /nfs/dbraw/zinc/95/98/95/563959895.db2.gz PQICILOGFZFFCL-UHFFFAOYSA-N 1 2 308.360 4.376 40 0 DHABLO Cn1c(CCCc2[nH+]c3ccccc3n2C)nc2ccccc21 ZINC000001602797 180877937 /nfs/dbraw/zinc/87/79/37/180877937.db2.gz PAAOHXDKNMOZSZ-UHFFFAOYSA-N 1 2 304.397 3.635 40 0 DHABLO Cc1cc(-n2cc[nH+]c2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000005208465 181217093 /nfs/dbraw/zinc/21/70/93/181217093.db2.gz VNANIHZKQLKJBS-UHFFFAOYSA-N 1 2 309.760 3.544 40 0 DHABLO CCC1=Nc2ccccc2NC(=[NH2+])C1c1ccc(OC)c(OC)c1 ZINC000020635374 182239884 /nfs/dbraw/zinc/23/98/84/182239884.db2.gz XFQXLZVKIQCHCG-UHFFFAOYSA-N 1 2 323.396 3.939 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072212783 257127093 /nfs/dbraw/zinc/12/70/93/257127093.db2.gz VKEYEUGNERIGHX-KRWDZBQOSA-N 1 2 309.413 3.515 40 0 DHABLO Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212447 257127469 /nfs/dbraw/zinc/12/74/69/257127469.db2.gz QBMPZEKLHLXIQW-INIZCTEOSA-N 1 2 311.385 3.528 40 0 DHABLO O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)n1cc[nH+]c1 ZINC000408734088 257227239 /nfs/dbraw/zinc/22/72/39/257227239.db2.gz IIWBFLOYWKZGQL-INIZCTEOSA-N 1 2 311.772 3.765 40 0 DHABLO O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000408734332 257227362 /nfs/dbraw/zinc/22/73/62/257227362.db2.gz NSXJVKPGQITTFR-MRXNPFEDSA-N 1 2 311.772 3.765 40 0 DHABLO CC[C@@H](C)Cn1c(CCCCCNC(C)=O)[nH+]c2ccccc21 ZINC000007343671 563337934 /nfs/dbraw/zinc/33/79/34/563337934.db2.gz DXEUCGXQKWASKS-OAHLLOKOSA-N 1 2 315.461 3.931 40 0 DHABLO COc1ccc([C@@](C)(O)c2c[nH+]c(C)n2Cc2ccccc2)cc1 ZINC000013281783 563380303 /nfs/dbraw/zinc/38/03/03/563380303.db2.gz KQLHVDIVHQSWPS-HXUWFJFHSA-N 1 2 322.408 3.504 40 0 DHABLO C[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031719435 563440336 /nfs/dbraw/zinc/44/03/36/563440336.db2.gz RUSXYSPNUUXXDR-LPHOPBHVSA-N 1 2 309.409 3.579 40 0 in-vitro DHABLO CCCCc1[nH]c(CN2CCCC[C@H]2c2n[nH]cc2C)c[nH+]1 ZINC000257213514 563790374 /nfs/dbraw/zinc/79/03/74/563790374.db2.gz CHWIBIMSLGNOJJ-HNNXBMFYSA-N 1 2 301.438 3.511 40 0 DHABLO CCCCc1[nH]cc(CN2CCCC[C@H]2c2n[nH]cc2C)[nH+]1 ZINC000257213514 563790377 /nfs/dbraw/zinc/79/03/77/563790377.db2.gz CHWIBIMSLGNOJJ-HNNXBMFYSA-N 1 2 301.438 3.511 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)[nH+]1 ZINC000257265180 563792674 /nfs/dbraw/zinc/79/26/74/563792674.db2.gz LXQKLHBPKOSFSQ-CYBMUJFWSA-N 1 2 303.431 3.880 40 0 DHABLO CCNc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328994496 563832972 /nfs/dbraw/zinc/83/29/72/563832972.db2.gz JEVKOMWQXLMBTM-UHFFFAOYSA-N 1 2 323.227 3.680 40 0 DHABLO Cc1cc(C)c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000225646327 186286728 /nfs/dbraw/zinc/28/67/28/186286728.db2.gz KAYMTZPVICYDIS-UHFFFAOYSA-N 1 2 319.408 3.728 40 0 DHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)[nH+]1 ZINC000257287614 203014454 /nfs/dbraw/zinc/01/44/54/203014454.db2.gz PQSKNBMMGICVSO-INIZCTEOSA-N 1 2 323.396 3.760 40 0 DHABLO CNc1cc([C@H]2CCCN2C(=O)/C=C/c2cccs2)cc[nH+]1 ZINC000257330757 203053056 /nfs/dbraw/zinc/05/30/56/203053056.db2.gz XPTKKDSWRGZFPO-LQYUOIDQSA-N 1 2 313.426 3.562 40 0 DHABLO CCN(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCCC1 ZINC000072214809 257126711 /nfs/dbraw/zinc/12/67/11/257126711.db2.gz LVZZWPNLWWEYKF-UHFFFAOYSA-N 1 2 303.406 3.816 40 0 DHABLO CCCCc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000409205744 257220958 /nfs/dbraw/zinc/22/09/58/257220958.db2.gz FMAZWPDGKQUHHN-UHFFFAOYSA-N 1 2 308.425 3.984 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@H+]1CCCC[C@H]1C ZINC000216864537 563857199 /nfs/dbraw/zinc/85/71/99/563857199.db2.gz ZWOLKIKNKHACAC-CYBMUJFWSA-N 1 2 303.450 3.941 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@@H+]1CCCC[C@H]1C ZINC000216864537 563857202 /nfs/dbraw/zinc/85/72/02/563857202.db2.gz ZWOLKIKNKHACAC-CYBMUJFWSA-N 1 2 303.450 3.941 40 0 DHABLO Cc1ccccc1CSCCNC(=S)Nc1cc[nH+]cc1 ZINC000225363058 563752664 /nfs/dbraw/zinc/75/26/64/563752664.db2.gz QXCPGZHCPMFJCB-UHFFFAOYSA-N 1 2 317.483 3.610 40 0 DHABLO Cc1[nH]c2ccc(NC(=O)c3n[nH]c4c3CCCCCC4)cc2[nH+]1 ZINC000257246274 563791580 /nfs/dbraw/zinc/79/15/80/563791580.db2.gz ITKJLJRVFMBSGD-UHFFFAOYSA-N 1 2 323.400 3.506 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)[nH+]1 ZINC000257333546 563793021 /nfs/dbraw/zinc/79/30/21/563793021.db2.gz YBZYNTWEUBDMQV-OAHLLOKOSA-N 1 2 323.396 3.793 40 0 DHABLO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)[nH+]cn1 ZINC000328984542 563832768 /nfs/dbraw/zinc/83/27/68/563832768.db2.gz HPBMNEXSTNCLOX-AWEZNQCLSA-N 1 2 308.429 3.782 40 0 DHABLO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)nc[nH+]1 ZINC000328984542 563832771 /nfs/dbraw/zinc/83/27/71/563832771.db2.gz HPBMNEXSTNCLOX-AWEZNQCLSA-N 1 2 308.429 3.782 40 0 DHABLO CC(C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329045568 563833687 /nfs/dbraw/zinc/83/36/87/563833687.db2.gz TWZNXGPKESMFCN-UHFFFAOYSA-N 1 2 320.799 3.554 40 0 DHABLO CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000329066274 563834324 /nfs/dbraw/zinc/83/43/24/563834324.db2.gz XYMQRMHKWRQVFJ-GFCCVEGCSA-N 1 2 316.836 3.903 40 0 DHABLO CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000329066274 563834327 /nfs/dbraw/zinc/83/43/27/563834327.db2.gz XYMQRMHKWRQVFJ-GFCCVEGCSA-N 1 2 316.836 3.903 40 0 DHABLO Cc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)c(C)c1 ZINC000008369075 563922340 /nfs/dbraw/zinc/92/23/40/563922340.db2.gz MMUKXHLFDAWAGW-UHFFFAOYSA-N 1 2 308.425 3.875 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000221933697 1024163822 /nfs/dbraw/zinc/16/38/22/1024163822.db2.gz BMQMLQFXJOOBME-LRDDRELGSA-N 1 2 319.836 3.553 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@@H]1C ZINC000221933697 1024163825 /nfs/dbraw/zinc/16/38/25/1024163825.db2.gz BMQMLQFXJOOBME-LRDDRELGSA-N 1 2 319.836 3.553 40 0 DHABLO CC(C)(CO)CCCn1c[nH+]cc1-c1cnn(-c2ccccc2)c1 ZINC000072399283 191149912 /nfs/dbraw/zinc/14/99/12/191149912.db2.gz PWFOIVNZHPTCQY-UHFFFAOYSA-N 1 2 324.428 3.535 40 0 DHABLO C[C@@H](Cc1ccccc1)[NH2+]N1CCO[C@@H](c2ccccc2)[C@@H]1C ZINC000019170575 182106677 /nfs/dbraw/zinc/10/66/77/182106677.db2.gz KBRSLPYGHGQKNS-ABSDTBQOSA-N 1 2 310.441 3.584 40 0 DHABLO Cc1cc(C)c2cc(C)c(SCC[NH+]3CCOCC3)nc2c1 ZINC000020151157 182192365 /nfs/dbraw/zinc/19/23/65/182192365.db2.gz IKECPNSWAFLABF-UHFFFAOYSA-N 1 2 316.470 3.584 40 0 DHABLO CCOC(=O)c1c[nH+]c2ccc(CC)cc2c1N(CC)CC ZINC000062719681 184250979 /nfs/dbraw/zinc/25/09/79/184250979.db2.gz LFPFCLMWWXMRPF-UHFFFAOYSA-N 1 2 300.402 3.820 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215979 257124848 /nfs/dbraw/zinc/12/48/48/257124848.db2.gz TVMYWRZUKDUKQM-OAHLLOKOSA-N 1 2 317.433 3.754 40 0 DHABLO CCN(CC)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212833 257126971 /nfs/dbraw/zinc/12/69/71/257126971.db2.gz UMUKMRYXDNLCJZ-HNNXBMFYSA-N 1 2 319.449 4.000 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212812 257127246 /nfs/dbraw/zinc/12/72/46/257127246.db2.gz PLBCKHXHEPGJCK-SFHVURJKSA-N 1 2 323.440 3.905 40 0 DHABLO Cc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1Cl ZINC000409198523 257221237 /nfs/dbraw/zinc/22/12/37/257221237.db2.gz BRJNYXOLRABTGK-UHFFFAOYSA-N 1 2 300.789 3.603 40 0 DHABLO Cc1cc2cc(C)c(SCC[NH+]3CCOCC3)nc2cc1C ZINC000026440387 563425708 /nfs/dbraw/zinc/42/57/08/563425708.db2.gz CNGJTCHERVZNMJ-UHFFFAOYSA-N 1 2 316.470 3.584 40 0 DHABLO Cc1cc[nH+]c(Nc2ccccc2I)c1 ZINC000228966199 563516961 /nfs/dbraw/zinc/51/69/61/563516961.db2.gz ZGURVPANUCTWBQ-UHFFFAOYSA-N 1 2 310.138 3.738 40 0 DHABLO c1ccc(-c2cc(NCc3ccccn3)nc(NC3CC3)[nH+]2)cc1 ZINC000244449685 563604747 /nfs/dbraw/zinc/60/47/47/563604747.db2.gz ZAZGCEFJKVOKEN-UHFFFAOYSA-N 1 2 317.396 3.725 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000216865115 563711153 /nfs/dbraw/zinc/71/11/53/563711153.db2.gz JWHLRCGJUSDCAK-KBPBESRZSA-N 1 2 303.450 3.939 40 0 DHABLO CC[N@H+](CCCNC(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000225058358 563747936 /nfs/dbraw/zinc/74/79/36/563747936.db2.gz KQTPAAKINTUUIM-UHFFFAOYSA-N 1 2 310.441 3.950 40 0 DHABLO CC[N@@H+](CCCNC(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000225058358 563747938 /nfs/dbraw/zinc/74/79/38/563747938.db2.gz KQTPAAKINTUUIM-UHFFFAOYSA-N 1 2 310.441 3.950 40 0 DHABLO Cc1cn2c(cccc2[C@@H]2CCCN2C(=O)c2cccs2)[nH+]1 ZINC000257215391 563790939 /nfs/dbraw/zinc/79/09/39/563790939.db2.gz CPXQTWHCWJMCLS-ZDUSSCGKSA-N 1 2 311.410 3.682 40 0 DHABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC3CC3)n2)cc1 ZINC000067898547 563950558 /nfs/dbraw/zinc/95/05/58/563950558.db2.gz ZMVZYGQAIXYACF-INIZCTEOSA-N 1 2 317.820 3.513 40 0 biogenic,in-vitro DHABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC3CC3)n2)cc1 ZINC000067898547 563950559 /nfs/dbraw/zinc/95/05/59/563950559.db2.gz ZMVZYGQAIXYACF-INIZCTEOSA-N 1 2 317.820 3.513 40 0 biogenic,in-vitro DHABLO CCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329024278 563960137 /nfs/dbraw/zinc/96/01/37/563960137.db2.gz OYJSIHHCGGBJBX-UHFFFAOYSA-N 1 2 308.360 4.458 40 0 DHABLO S=c1[nH]nc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1 ZINC000006494006 181345509 /nfs/dbraw/zinc/34/55/09/181345509.db2.gz ZLQPAQFNKLZRJQ-UHFFFAOYSA-N 1 2 321.409 3.591 40 0 DHABLO CNc1cc([C@H]2CCCN(C(=O)c3sccc3C)C2)cc[nH+]1 ZINC000257212524 202948783 /nfs/dbraw/zinc/94/87/83/202948783.db2.gz CDVIZTOMLNJKFP-AWEZNQCLSA-N 1 2 315.442 3.513 40 0 DHABLO Cc1onc(-c2ccccc2Cl)c1[C@@H](O)[NH2+]Cc1ccco1 ZINC000016249561 182038399 /nfs/dbraw/zinc/03/83/99/182038399.db2.gz ZTPFXTZWGLGSQC-MRXNPFEDSA-N 1 2 318.760 3.677 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000019291057 182113235 /nfs/dbraw/zinc/11/32/35/182113235.db2.gz XMWMJSFUJVFTKS-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000019291057 182113239 /nfs/dbraw/zinc/11/32/39/182113239.db2.gz XMWMJSFUJVFTKS-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N(C)C ZINC000072218657 257124729 /nfs/dbraw/zinc/12/47/29/257124729.db2.gz KTBGJOMISICZLX-GOSISDBHSA-N 1 2 323.440 3.823 40 0 DHABLO Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N(C)C ZINC000072218617 257125306 /nfs/dbraw/zinc/12/53/06/257125306.db2.gz DJKSKOBUZPTARG-AWEZNQCLSA-N 1 2 305.422 3.528 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215930 257125329 /nfs/dbraw/zinc/12/53/29/257125329.db2.gz HNNPQYQUVFBZLR-SFHVURJKSA-N 1 2 321.424 3.659 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215920 257125473 /nfs/dbraw/zinc/12/54/73/257125473.db2.gz YTIZJQAJWYOMSL-HNNXBMFYSA-N 1 2 317.433 3.754 40 0 DHABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214053 257126440 /nfs/dbraw/zinc/12/64/40/257126440.db2.gz KWIXBKBTZIMZSD-KRWDZBQOSA-N 1 2 301.434 3.900 40 0 DHABLO CCCNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213201 257126858 /nfs/dbraw/zinc/12/68/58/257126858.db2.gz SVAROYXVZNULED-KRWDZBQOSA-N 1 2 309.413 3.881 40 0 DHABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N(C(C)C)C(C)C ZINC000072213050 257127412 /nfs/dbraw/zinc/12/74/12/257127412.db2.gz XLRJBRHCZGUNJN-KRWDZBQOSA-N 1 2 303.450 3.778 40 0 DHABLO COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1C[NH+](C)C ZINC000000000223 563211100 /nfs/dbraw/zinc/21/11/00/563211100.db2.gz ZXFQRFXLFWWKLX-UHFFFAOYSA-N 1 2 323.392 3.839 40 0 in-man DHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000012186498 563363929 /nfs/dbraw/zinc/36/39/29/563363929.db2.gz BHWRTOMGXHSKLK-PXAZEXFGSA-N 1 2 317.795 3.839 40 0 DHABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000012186498 563363931 /nfs/dbraw/zinc/36/39/31/563363931.db2.gz BHWRTOMGXHSKLK-PXAZEXFGSA-N 1 2 317.795 3.839 40 0 DHABLO Cc1ccc(C)c(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000420266 563608768 /nfs/dbraw/zinc/60/87/68/563608768.db2.gz ZCRJNXUXGDIWDI-UHFFFAOYSA-N 1 2 307.397 3.909 40 0 DHABLO S=C(NCCSc1ccc(Cl)cc1)Nc1cc[nH+]cc1 ZINC000225289087 563751353 /nfs/dbraw/zinc/75/13/53/563751353.db2.gz LXAXMIUKGRTRBO-UHFFFAOYSA-N 1 2 323.874 3.814 40 0 DHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2csc(C(C)C)c2)[nH+]1 ZINC000257254963 563792188 /nfs/dbraw/zinc/79/21/88/563792188.db2.gz KFMYYLMQUBTONJ-AWEZNQCLSA-N 1 2 317.458 3.891 40 0 DHABLO CCNc1nc(Nc2c(C)ccc(Cl)c2C)cc(C2CC2)[nH+]1 ZINC000328990389 563832541 /nfs/dbraw/zinc/83/25/41/563832541.db2.gz IOXZUGZYCWATAA-UHFFFAOYSA-N 1 2 316.836 3.643 40 0 DHABLO CNc1nc(Nc2ccc(C)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329044241 563833642 /nfs/dbraw/zinc/83/36/42/563833642.db2.gz SVMNZOJMDZQCST-UHFFFAOYSA-N 1 2 324.815 3.735 40 0 DHABLO CC(C)(C)c1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533465 563931855 /nfs/dbraw/zinc/93/18/55/563931855.db2.gz UVNIZPJGGOHQTM-INIZCTEOSA-N 1 2 306.413 3.817 40 0 DHABLO Cc1cccc2cc3c(nc12)OCC[N@H+](Cc1ccccc1)C3 ZINC000072392252 191147540 /nfs/dbraw/zinc/14/75/40/191147540.db2.gz MTHCLTPREKZEBO-UHFFFAOYSA-N 1 2 304.393 3.938 40 0 DHABLO Cc1cccc2cc3c(nc12)OCC[N@@H+](Cc1ccccc1)C3 ZINC000072392252 191147542 /nfs/dbraw/zinc/14/75/42/191147542.db2.gz MTHCLTPREKZEBO-UHFFFAOYSA-N 1 2 304.393 3.938 40 0 DHABLO Cc1cn2c(cccc2[C@H]2CCCN2C(=O)c2cccs2)[nH+]1 ZINC000257215390 202950756 /nfs/dbraw/zinc/95/07/56/202950756.db2.gz CPXQTWHCWJMCLS-CYBMUJFWSA-N 1 2 311.410 3.682 40 0 DHABLO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC000257311684 203035762 /nfs/dbraw/zinc/03/57/62/203035762.db2.gz UKPRTRRWMZZQJM-OAHLLOKOSA-N 1 2 307.319 3.833 40 0 DHABLO FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC000257311684 203035765 /nfs/dbraw/zinc/03/57/65/203035765.db2.gz UKPRTRRWMZZQJM-OAHLLOKOSA-N 1 2 307.319 3.833 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000019291056 182113215 /nfs/dbraw/zinc/11/32/15/182113215.db2.gz XMWMJSFUJVFTKS-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000019291056 182113216 /nfs/dbraw/zinc/11/32/16/182113216.db2.gz XMWMJSFUJVFTKS-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO C[C@@H](Cc1ccccc1)[NH2+]N1CCO[C@H](c2ccccc2)[C@H]1C ZINC000019170577 182106533 /nfs/dbraw/zinc/10/65/33/182106533.db2.gz KBRSLPYGHGQKNS-QKLQHJQFSA-N 1 2 310.441 3.584 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215929 257125124 /nfs/dbraw/zinc/12/51/24/257125124.db2.gz HNNPQYQUVFBZLR-GOSISDBHSA-N 1 2 321.424 3.659 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215989 257125336 /nfs/dbraw/zinc/12/53/36/257125336.db2.gz BERSOEWIDDNYKT-GOSISDBHSA-N 1 2 321.424 3.659 40 0 DHABLO CCNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213110 257127512 /nfs/dbraw/zinc/12/75/12/257127512.db2.gz RJISIDMAISVALM-KRWDZBQOSA-N 1 2 309.413 3.881 40 0 DHABLO CCCNc1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213132 257127608 /nfs/dbraw/zinc/12/76/08/257127608.db2.gz IVRSJQYWJOJZDE-CQSZACIVSA-N 1 2 305.422 3.976 40 0 DHABLO CCN(C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212724 257127634 /nfs/dbraw/zinc/12/76/34/257127634.db2.gz MZDKQSKYOXWNJX-QGZVFWFLSA-N 1 2 309.413 3.515 40 0 DHABLO CCOC(=O)c1c[nH+]c2c(C)ccc(F)c2c1N(CC)CC ZINC000064874835 257128376 /nfs/dbraw/zinc/12/83/76/257128376.db2.gz UPBLHPWDLQYBHA-UHFFFAOYSA-N 1 2 304.365 3.705 40 0 DHABLO CC[NH+](CC)[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001686972 563291236 /nfs/dbraw/zinc/29/12/36/563291236.db2.gz WYAXGUFTMAEDMR-GOSISDBHSA-N 1 2 309.409 3.853 40 0 DHABLO CC(=O)N1c2ccc(-c3cn4cc(C)ccc4[nH+]3)cc2C[C@H]1C ZINC000012088207 563361595 /nfs/dbraw/zinc/36/15/95/563361595.db2.gz OIBUCPMHYIRHPO-CYBMUJFWSA-N 1 2 305.381 3.607 40 0 DHABLO Cc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044940676 563464353 /nfs/dbraw/zinc/46/43/53/563464353.db2.gz WZVNMWMUOOLADU-UHFFFAOYSA-N 1 2 319.408 3.512 40 0 DHABLO CSc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055695923 563477341 /nfs/dbraw/zinc/47/73/41/563477341.db2.gz XZUMESZFRZNYJT-UHFFFAOYSA-N 1 2 323.421 3.524 40 0 DHABLO CCC[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1cccnc1 ZINC000072341979 563503530 /nfs/dbraw/zinc/50/35/30/563503530.db2.gz PULLSOCTIGASQE-FQEVSTJZSA-N 1 2 321.424 3.929 40 0 DHABLO CCC[N@H+]1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1cccnc1 ZINC000072341979 563503534 /nfs/dbraw/zinc/50/35/34/563503534.db2.gz PULLSOCTIGASQE-FQEVSTJZSA-N 1 2 321.424 3.929 40 0 DHABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257284009 563792299 /nfs/dbraw/zinc/79/22/99/563792299.db2.gz PAWNAJBNUQSDQJ-ZDUSSCGKSA-N 1 2 311.410 3.563 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)[nH+]1 ZINC000257251336 563792410 /nfs/dbraw/zinc/79/24/10/563792410.db2.gz JQIUARBLKQEYAD-AWEZNQCLSA-N 1 2 323.396 3.793 40 0 DHABLO CC1(c2ncc(Cl)s2)CC[NH+](Cc2nccs2)CC1 ZINC000257256826 563792427 /nfs/dbraw/zinc/79/24/27/563792427.db2.gz KNBCMECARZYQSF-UHFFFAOYSA-N 1 2 313.879 3.807 40 0 DHABLO C[C@H]([NH2+]Cc1ccccc1)c1nc([C@H]2CCCSCC2)no1 ZINC000575414975 563856478 /nfs/dbraw/zinc/85/64/78/563856478.db2.gz DCWNRCLMDRMAOA-ZFWWWQNUSA-N 1 2 317.458 3.921 40 0 DHABLO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000067898756 563950646 /nfs/dbraw/zinc/95/06/46/563950646.db2.gz TZAODSIYLXLHGF-INIZCTEOSA-N 1 2 317.408 3.635 40 0 biogenic,in-vitro DHABLO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000067898756 563950648 /nfs/dbraw/zinc/95/06/48/563950648.db2.gz TZAODSIYLXLHGF-INIZCTEOSA-N 1 2 317.408 3.635 40 0 biogenic,in-vitro DHABLO CC[C@H](C)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000329022613 563960317 /nfs/dbraw/zinc/96/03/17/563960317.db2.gz ONKZSYLJJXCSFG-NSHDSACASA-N 1 2 300.381 4.447 40 0 DHABLO CCc1nc(N)c2c([nH+]1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O ZINC000408712671 563960538 /nfs/dbraw/zinc/96/05/38/563960538.db2.gz GFESTPVLHSGRTL-ZDUSSCGKSA-N 1 2 323.440 3.831 40 0 DHABLO Cc1onc(-c2ccccc2Cl)c1[C@H](O)[NH2+]Cc1ccco1 ZINC000016249563 182038410 /nfs/dbraw/zinc/03/84/10/182038410.db2.gz ZTPFXTZWGLGSQC-INIZCTEOSA-N 1 2 318.760 3.677 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(F)ccc2F)n1 ZINC000019291060 182113498 /nfs/dbraw/zinc/11/34/98/182113498.db2.gz XPKHDHIBTRDOGF-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(F)ccc2F)n1 ZINC000019291060 182113499 /nfs/dbraw/zinc/11/34/99/182113499.db2.gz XPKHDHIBTRDOGF-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO CC[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1-c1ccc(O)cc1 ZINC000019500991 182125646 /nfs/dbraw/zinc/12/56/46/182125646.db2.gz OKHDCOJYBDJVLM-KRWDZBQOSA-N 1 2 322.412 3.551 40 0 DHABLO CC[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1-c1ccc(O)cc1 ZINC000019500991 182125648 /nfs/dbraw/zinc/12/56/48/182125648.db2.gz OKHDCOJYBDJVLM-KRWDZBQOSA-N 1 2 322.412 3.551 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215919 257125010 /nfs/dbraw/zinc/12/50/10/257125010.db2.gz YTIZJQAJWYOMSL-OAHLLOKOSA-N 1 2 317.433 3.754 40 0 DHABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216737 257125680 /nfs/dbraw/zinc/12/56/80/257125680.db2.gz JJNZWRODKCTJQJ-KRWDZBQOSA-N 1 2 301.434 3.536 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212773 257127290 /nfs/dbraw/zinc/12/72/90/257127290.db2.gz NUZXWIXDWUULAP-AWEZNQCLSA-N 1 2 305.422 3.610 40 0 DHABLO CN(C)c1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212693 257127518 /nfs/dbraw/zinc/12/75/18/257127518.db2.gz PEYLDLBHBFDURK-QGZVFWFLSA-N 1 2 309.413 3.515 40 0 DHABLO COc1cc2c(cc1Cl)[nH+]c(C)cc2OCC(=O)OC(C)C ZINC000064874624 257127996 /nfs/dbraw/zinc/12/79/96/257127996.db2.gz NWAQVXIHSVEMKJ-UHFFFAOYSA-N 1 2 323.776 3.536 40 0 DHABLO Cc1cnc([C@@H](C)[NH2+]Cc2cn(C)nc2C2CCCCC2)o1 ZINC000328771329 334753391 /nfs/dbraw/zinc/75/33/91/334753391.db2.gz GXLDZXFVUQOXOM-CYBMUJFWSA-N 1 2 302.422 3.615 40 0 DHABLO COc1cc2cc[nH+]c(Cc3ccc4c(c3)OCO4)c2cc1OC ZINC000001583139 563286185 /nfs/dbraw/zinc/28/61/85/563286185.db2.gz FLQMVWIFVMVFCS-UHFFFAOYSA-N 1 2 323.348 3.572 40 0 DHABLO Clc1ccc(-c2nc(NC3CC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012143411 563362445 /nfs/dbraw/zinc/36/24/45/563362445.db2.gz MKXCHYCTLNDSCK-UHFFFAOYSA-N 1 2 311.776 3.761 40 0 DHABLO C[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031719434 563440390 /nfs/dbraw/zinc/44/03/90/563440390.db2.gz RUSXYSPNUUXXDR-VQIMIIECSA-N 1 2 309.409 3.579 40 0 in-vitro DHABLO CCSc1nc(Nc2cccc(C(F)(F)F)c2)cc(N)[nH+]1 ZINC000049467507 563467201 /nfs/dbraw/zinc/46/72/01/563467201.db2.gz LKMCZXLBLKHUMQ-UHFFFAOYSA-N 1 2 314.336 3.933 40 0 DHABLO CCSc1nc(N)cc(Nc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000049467507 563467205 /nfs/dbraw/zinc/46/72/05/563467205.db2.gz LKMCZXLBLKHUMQ-UHFFFAOYSA-N 1 2 314.336 3.933 40 0 DHABLO Cc1c[nH]c([C@@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)C2)[nH+]1 ZINC000585181433 563525781 /nfs/dbraw/zinc/52/57/81/563525781.db2.gz MGUNJBUYENJXNP-MRXNPFEDSA-N 1 2 323.440 3.546 40 0 DHABLO CC[N@H+](CCCNC(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000225054245 563747504 /nfs/dbraw/zinc/74/75/04/563747504.db2.gz JERBJGGMFYROJL-UHFFFAOYSA-N 1 2 310.441 3.950 40 0 DHABLO CC[N@@H+](CCCNC(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000225054245 563747508 /nfs/dbraw/zinc/74/75/08/563747508.db2.gz JERBJGGMFYROJL-UHFFFAOYSA-N 1 2 310.441 3.950 40 0 DHABLO Cc1c[nH]c([C@@H]2COCCN2Cc2cc3ccccc3s2)[nH+]1 ZINC000257230333 563791837 /nfs/dbraw/zinc/79/18/37/563791837.db2.gz GBTZSNHMBZNPIV-HNNXBMFYSA-N 1 2 313.426 3.506 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)[nH+]1 ZINC000257251337 563792592 /nfs/dbraw/zinc/79/25/92/563792592.db2.gz JQIUARBLKQEYAD-CQSZACIVSA-N 1 2 323.396 3.793 40 0 DHABLO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)[nH+]cn1 ZINC000328984543 563833053 /nfs/dbraw/zinc/83/30/53/563833053.db2.gz HPBMNEXSTNCLOX-CQSZACIVSA-N 1 2 308.429 3.782 40 0 DHABLO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCC2)nc[nH+]1 ZINC000328984543 563833057 /nfs/dbraw/zinc/83/30/57/563833057.db2.gz HPBMNEXSTNCLOX-CQSZACIVSA-N 1 2 308.429 3.782 40 0 DHABLO Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c(C)c1 ZINC000329051393 563833777 /nfs/dbraw/zinc/83/37/77/563833777.db2.gz UWAVGYVSCFGQOT-UHFFFAOYSA-N 1 2 310.445 3.687 40 0 DHABLO Cc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329054844 563833803 /nfs/dbraw/zinc/83/38/03/563833803.db2.gz VMCSSKPUKOZMQQ-UHFFFAOYSA-N 1 2 322.456 3.994 40 0 DHABLO Cc1cc(OCC(=O)Nc2ccccc2C)c2ccccc2[nH+]1 ZINC000192192731 563885409 /nfs/dbraw/zinc/88/54/09/563885409.db2.gz OPMRKJNYEDSRRH-UHFFFAOYSA-N 1 2 306.365 3.869 40 0 DHABLO Fc1cccc(C[N@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989627 1022011935 /nfs/dbraw/zinc/01/19/35/1022011935.db2.gz CUAOJEXTHKDVCG-UHFFFAOYSA-N 1 2 307.372 3.818 40 0 DHABLO Fc1cccc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989627 1022011951 /nfs/dbraw/zinc/01/19/51/1022011951.db2.gz CUAOJEXTHKDVCG-UHFFFAOYSA-N 1 2 307.372 3.818 40 0 DHABLO CCOC(=O)/C(=C\c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000239562974 1033737235 /nfs/dbraw/zinc/73/72/35/1033737235.db2.gz NWPVQNHSQVAJHR-UHFFFAOYSA-N 1 2 311.168 3.751 40 0 DHABLO Cc1cc(C)cc(C[N@@H+]2CCn3c(-c4ccncc4)cnc3C2)c1 ZINC000306144446 231091425 /nfs/dbraw/zinc/09/14/25/231091425.db2.gz ZFMXJGOHXOACNG-UHFFFAOYSA-N 1 2 318.424 3.578 40 0 DHABLO Cc1cc(C)cc(C[N@H+]2CCn3c(-c4ccncc4)cnc3C2)c1 ZINC000306144446 231091426 /nfs/dbraw/zinc/09/14/26/231091426.db2.gz ZFMXJGOHXOACNG-UHFFFAOYSA-N 1 2 318.424 3.578 40 0 DHABLO Cc1[nH+]cc([C@@](C)(O)c2ccccc2C)n1Cc1ccccc1 ZINC000005504147 181250350 /nfs/dbraw/zinc/25/03/50/181250350.db2.gz ZHPCBONTGXXFMC-FQEVSTJZSA-N 1 2 306.409 3.804 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212804 257127373 /nfs/dbraw/zinc/12/73/73/257127373.db2.gz QTJUEMLWFTXLHD-HNNXBMFYSA-N 1 2 319.449 4.000 40 0 DHABLO CCN(C)c1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212774 257127504 /nfs/dbraw/zinc/12/75/04/257127504.db2.gz NUZXWIXDWUULAP-CQSZACIVSA-N 1 2 305.422 3.610 40 0 DHABLO COc1ccc(NC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1 ZINC000409127939 257222373 /nfs/dbraw/zinc/22/23/73/257222373.db2.gz RYOGGVZAWAOMJF-UHFFFAOYSA-N 1 2 310.357 3.534 40 0 DHABLO Cc1cc(NC(=[NH2+])c2ccccc2)nc(C)c1Br ZINC000089228899 563484725 /nfs/dbraw/zinc/48/47/25/563484725.db2.gz INFICYWFFJLQLQ-UHFFFAOYSA-N 1 2 304.191 3.898 40 0 DHABLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C(C)C)[C@@H]3c1cccnc1 ZINC000072341978 563503568 /nfs/dbraw/zinc/50/35/68/563503568.db2.gz IGJYEFICYLYPHR-HXUWFJFHSA-N 1 2 321.424 3.927 40 0 DHABLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C(C)C)[C@@H]3c1cccnc1 ZINC000072341978 563503573 /nfs/dbraw/zinc/50/35/73/563503573.db2.gz IGJYEFICYLYPHR-HXUWFJFHSA-N 1 2 321.424 3.927 40 0 DHABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccc2ccccc2c1 ZINC000107306781 563639755 /nfs/dbraw/zinc/63/97/55/563639755.db2.gz HDHGMCQPHGDFDE-UHFFFAOYSA-N 1 2 302.377 3.794 40 0 DHABLO Cc1ccccc1C(=O)Nc1cc([NH+]2CCCC2)c(C)cc1N ZINC000216865825 563712217 /nfs/dbraw/zinc/71/22/17/563712217.db2.gz IQVSCLVLBNIRDW-UHFFFAOYSA-N 1 2 309.413 3.738 40 0 DHABLO CC[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(OC)cc1 ZINC000225491220 563757429 /nfs/dbraw/zinc/75/74/29/563757429.db2.gz IKANASRMQPWSPA-HNNXBMFYSA-N 1 2 301.415 3.528 40 0 DHABLO c1cc([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)n[nH]1 ZINC000257220533 563790499 /nfs/dbraw/zinc/79/04/99/563790499.db2.gz DLDHFSAJBRIZLH-SFHVURJKSA-N 1 2 319.412 3.594 40 0 DHABLO c1cc([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)n[nH]1 ZINC000257220533 563790502 /nfs/dbraw/zinc/79/05/02/563790502.db2.gz DLDHFSAJBRIZLH-SFHVURJKSA-N 1 2 319.412 3.594 40 0 DHABLO CCCCc1[nH]c(CN2CCCC[C@@H]2c2n[nH]cc2C)c[nH+]1 ZINC000257213515 563790736 /nfs/dbraw/zinc/79/07/36/563790736.db2.gz CHWIBIMSLGNOJJ-OAHLLOKOSA-N 1 2 301.438 3.511 40 0 DHABLO CCCCc1[nH]cc(CN2CCCC[C@@H]2c2n[nH]cc2C)[nH+]1 ZINC000257213515 563790739 /nfs/dbraw/zinc/79/07/39/563790739.db2.gz CHWIBIMSLGNOJJ-OAHLLOKOSA-N 1 2 301.438 3.511 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH+]1 ZINC000257230990 563791317 /nfs/dbraw/zinc/79/13/17/563791317.db2.gz GESRSBRIGNRDNY-QGZVFWFLSA-N 1 2 322.412 3.794 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329063788 563833651 /nfs/dbraw/zinc/83/36/51/563833651.db2.gz XEYGQRKPPZUYPA-LLVKDONJSA-N 1 2 316.836 3.805 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2c(C)cccc2C)cc(C2CC2)[nH+]1 ZINC000329065476 563834294 /nfs/dbraw/zinc/83/42/94/563834294.db2.gz XSCGGCJJXHKGCO-CQSZACIVSA-N 1 2 310.445 3.769 40 0 DHABLO CCNc1nc(Nc2cc(C)cc(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329071956 563834640 /nfs/dbraw/zinc/83/46/40/563834640.db2.gz ZUAIOMDLTFSFQH-UHFFFAOYSA-N 1 2 318.424 3.780 40 0 DHABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329040215 563960523 /nfs/dbraw/zinc/96/05/23/563960523.db2.gz SBLJUGOLRFICHP-UHFFFAOYSA-N 1 2 300.793 4.325 40 0 DHABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1C ZINC000329072410 231434839 /nfs/dbraw/zinc/43/48/39/231434839.db2.gz ZXTXRUNAARAKRD-UHFFFAOYSA-N 1 2 322.456 3.913 40 0 DHABLO c1csc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000257331915 203054166 /nfs/dbraw/zinc/05/41/66/203054166.db2.gz XUVKNDBLLZBZJW-CQSZACIVSA-N 1 2 313.430 3.589 40 0 DHABLO c1csc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000257331915 203054169 /nfs/dbraw/zinc/05/41/69/203054169.db2.gz XUVKNDBLLZBZJW-CQSZACIVSA-N 1 2 313.430 3.589 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000019291065 182113359 /nfs/dbraw/zinc/11/33/59/182113359.db2.gz AUJMVCBYNSJNGP-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000019291065 182113360 /nfs/dbraw/zinc/11/33/60/182113360.db2.gz AUJMVCBYNSJNGP-KRWDZBQOSA-N 1 2 305.372 3.816 40 0 DHABLO Cc1ccc2cc(C)c(SCC[NH+]3CCOCC3)nc2c1C ZINC000020151155 182192506 /nfs/dbraw/zinc/19/25/06/182192506.db2.gz CPCIQTGMFQTSLE-UHFFFAOYSA-N 1 2 316.470 3.584 40 0 DHABLO CSc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000038852581 183011178 /nfs/dbraw/zinc/01/11/78/183011178.db2.gz LGYGYHFVEATZRK-UHFFFAOYSA-N 1 2 323.421 3.906 40 0 DHABLO CCNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213102 257127625 /nfs/dbraw/zinc/12/76/25/257127625.db2.gz PTQBSVDEBVNJFT-AWEZNQCLSA-N 1 2 305.422 3.976 40 0 DHABLO Cc1c(C[N@H+](Cc2ccco2)Cc2ccc(F)cc2)cnn1C ZINC000012186678 563363608 /nfs/dbraw/zinc/36/36/08/563363608.db2.gz OZOIXLACKZUSDW-UHFFFAOYSA-N 1 2 313.376 3.663 40 0 DHABLO Cc1c(C[N@@H+](Cc2ccco2)Cc2ccc(F)cc2)cnn1C ZINC000012186678 563363610 /nfs/dbraw/zinc/36/36/10/563363610.db2.gz OZOIXLACKZUSDW-UHFFFAOYSA-N 1 2 313.376 3.663 40 0 DHABLO O=C(Nc1ccccc1)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000013576919 563383528 /nfs/dbraw/zinc/38/35/28/563383528.db2.gz HFPKJFJPSMUWHI-VAWYXSNFSA-N 1 2 307.397 3.507 40 0 DHABLO Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000328981163 563832594 /nfs/dbraw/zinc/83/25/94/563832594.db2.gz GRLLUPNDUZVEFW-UHFFFAOYSA-N 1 2 316.836 3.724 40 0 DHABLO CCNc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329057771 563833510 /nfs/dbraw/zinc/83/35/10/563833510.db2.gz VYSMWFYEWFPQJY-UHFFFAOYSA-N 1 2 323.227 3.680 40 0 DHABLO C[C@@H]([NH2+]Cc1ccccc1)c1nc([C@H]2CCCSCC2)no1 ZINC000575414973 563856413 /nfs/dbraw/zinc/85/64/13/563856413.db2.gz DCWNRCLMDRMAOA-HIFRSBDPSA-N 1 2 317.458 3.921 40 0 DHABLO COc1cccc(C[N@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989630 1022011029 /nfs/dbraw/zinc/01/10/29/1022011029.db2.gz YQSRSIAARDNEQZ-UHFFFAOYSA-N 1 2 319.408 3.688 40 0 DHABLO COc1cccc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989630 1022011044 /nfs/dbraw/zinc/01/10/44/1022011044.db2.gz YQSRSIAARDNEQZ-UHFFFAOYSA-N 1 2 319.408 3.688 40 0 DHABLO CNc1cc([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)cc[nH+]1 ZINC000257329973 203053139 /nfs/dbraw/zinc/05/31/39/203053139.db2.gz XMFWRSBLQGFABJ-QGZVFWFLSA-N 1 2 321.424 3.519 40 0 DHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)[nH+]1 ZINC000257341954 203064073 /nfs/dbraw/zinc/06/40/73/203064073.db2.gz ZMOBLNWHFLMLSG-ZDUSSCGKSA-N 1 2 311.410 3.910 40 0 DHABLO Cc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)n1 ZINC000019236349 182110867 /nfs/dbraw/zinc/11/08/67/182110867.db2.gz MAPRUPBOQIPHJA-HNNXBMFYSA-N 1 2 315.467 3.982 40 0 DHABLO CC(C)(CO)Nc1cc(-c2ccccc2O)[nH+]c2ccccc12 ZINC000059804031 184141147 /nfs/dbraw/zinc/14/11/47/184141147.db2.gz JSLJFLJYEIPVEN-UHFFFAOYSA-N 1 2 308.381 3.790 40 0 DHABLO Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N(C)C ZINC000072218618 257124762 /nfs/dbraw/zinc/12/47/62/257124762.db2.gz DJKSKOBUZPTARG-CQSZACIVSA-N 1 2 305.422 3.528 40 0 DHABLO Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212390 257127298 /nfs/dbraw/zinc/12/72/98/257127298.db2.gz XBPKGZZEHOKKJL-MRXNPFEDSA-N 1 2 311.385 3.528 40 0 DHABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 ZINC000409205800 257220768 /nfs/dbraw/zinc/22/07/68/257220768.db2.gz FUGYWXLSDHZBIY-UHFFFAOYSA-N 1 2 321.207 3.948 40 0 DHABLO C[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031719436 563440621 /nfs/dbraw/zinc/44/06/21/563440621.db2.gz RUSXYSPNUUXXDR-APWZRJJASA-N 1 2 309.409 3.579 40 0 in-vitro DHABLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C(C)C)[C@H]3c1cccnc1 ZINC000072341977 563503428 /nfs/dbraw/zinc/50/34/28/563503428.db2.gz IGJYEFICYLYPHR-FQEVSTJZSA-N 1 2 321.424 3.927 40 0 DHABLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C(C)C)[C@H]3c1cccnc1 ZINC000072341977 563503429 /nfs/dbraw/zinc/50/34/29/563503429.db2.gz IGJYEFICYLYPHR-FQEVSTJZSA-N 1 2 321.424 3.927 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2cc(C)cc(C)c2)cc(C2CC2)[nH+]1 ZINC000328963828 563832587 /nfs/dbraw/zinc/83/25/87/563832587.db2.gz BRSSEDMPBFUJJT-CQSZACIVSA-N 1 2 310.445 3.769 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2cccc(C)c2C)cc(C2CC2)[nH+]1 ZINC000329027113 563833958 /nfs/dbraw/zinc/83/39/58/563833958.db2.gz PQYZBWMBNDMXII-ZDUSSCGKSA-N 1 2 310.445 3.769 40 0 DHABLO C[C@H]([NH2+]Cc1ccccc1)c1nc([C@@H]2CCCSCC2)no1 ZINC000575414971 563856561 /nfs/dbraw/zinc/85/65/61/563856561.db2.gz DCWNRCLMDRMAOA-DZGCQCFKSA-N 1 2 317.458 3.921 40 0 DHABLO CC(C)c1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938591 563927151 /nfs/dbraw/zinc/92/71/51/563927151.db2.gz WUOASZHNGDJSBY-STQMWFEESA-N 1 2 300.402 3.677 40 0 DHABLO CC(C)(C)c1ccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533333 563931862 /nfs/dbraw/zinc/93/18/62/563931862.db2.gz DWZTVVBWUJRXCT-INIZCTEOSA-N 1 2 324.403 3.956 40 0 DHABLO CC(C)(C)c1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533333 563931863 /nfs/dbraw/zinc/93/18/63/563931863.db2.gz DWZTVVBWUJRXCT-INIZCTEOSA-N 1 2 324.403 3.956 40 0 DHABLO CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329063823 563960021 /nfs/dbraw/zinc/96/00/21/563960021.db2.gz XFKBYPVRWVRCOE-UHFFFAOYSA-N 1 2 320.343 4.131 40 0 DHABLO COc1ccc(C[C@H]2CCC[NH+]=C2c2cccnc2)c(OC)c1 ZINC000049808163 563961620 /nfs/dbraw/zinc/96/16/20/563961620.db2.gz ODLOPYOPLAYOCA-OAHLLOKOSA-N 1 2 310.397 3.541 40 0 DHABLO Cc1[nH+]cc([C@@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000013281785 181841665 /nfs/dbraw/zinc/84/16/65/181841665.db2.gz XZNGXZNLEGMKLC-SFHVURJKSA-N 1 2 312.800 3.975 40 0 DHABLO Cc1ccc(C)c2nc(SCC[NH+]3CCOCC3)c(C)cc12 ZINC000020151159 182192581 /nfs/dbraw/zinc/19/25/81/182192581.db2.gz XOIYBOXMAWCILN-UHFFFAOYSA-N 1 2 316.470 3.584 40 0 DHABLO OCCCc1[nH+]c2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417831 183063541 /nfs/dbraw/zinc/06/35/41/183063541.db2.gz AHGOPTQMUJONFI-UHFFFAOYSA-N 1 2 300.789 3.663 40 0 DHABLO Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N(C)C ZINC000072218649 257125286 /nfs/dbraw/zinc/12/52/86/257125286.db2.gz UOIKZQHDRFPQNM-OAHLLOKOSA-N 1 2 319.449 3.918 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213776 257126465 /nfs/dbraw/zinc/12/64/65/257126465.db2.gz HRZDQWLEYXZRTR-AWEZNQCLSA-N 1 2 303.406 3.728 40 0 DHABLO CCN(C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212745 257127205 /nfs/dbraw/zinc/12/72/05/257127205.db2.gz KTZMMAIZIMWGLK-OAHLLOKOSA-N 1 2 319.449 4.000 40 0 DHABLO CCN(C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212753 257127480 /nfs/dbraw/zinc/12/74/80/257127480.db2.gz UKSDBCSFXFRGAC-GOSISDBHSA-N 1 2 323.440 3.905 40 0 DHABLO Cc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225452132 563756112 /nfs/dbraw/zinc/75/61/12/563756112.db2.gz YMAIBNUNZMNCON-UHFFFAOYSA-N 1 2 322.437 3.667 40 0 DHABLO C[C@@H]1CCCC[N@@H+]1Cn1nc(COc2ccccc2)oc1=S ZINC000059484591 563771655 /nfs/dbraw/zinc/77/16/55/563771655.db2.gz BIAIHEFHPTUILN-CYBMUJFWSA-N 1 2 319.430 3.616 40 0 DHABLO C[C@@H]1CCCC[N@H+]1Cn1nc(COc2ccccc2)oc1=S ZINC000059484591 563771656 /nfs/dbraw/zinc/77/16/56/563771656.db2.gz BIAIHEFHPTUILN-CYBMUJFWSA-N 1 2 319.430 3.616 40 0 DHABLO c1cc([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)n[nH]1 ZINC000257220532 563790397 /nfs/dbraw/zinc/79/03/97/563790397.db2.gz DLDHFSAJBRIZLH-GOSISDBHSA-N 1 2 319.412 3.594 40 0 DHABLO c1cc([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)n[nH]1 ZINC000257220532 563790400 /nfs/dbraw/zinc/79/04/00/563790400.db2.gz DLDHFSAJBRIZLH-GOSISDBHSA-N 1 2 319.412 3.594 40 0 DHABLO CC(C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000328985652 563832871 /nfs/dbraw/zinc/83/28/71/563832871.db2.gz HTPVGNKCZIDUDD-UHFFFAOYSA-N 1 2 302.809 3.513 40 0 DHABLO CC(C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000328985652 563832874 /nfs/dbraw/zinc/83/28/74/563832874.db2.gz HTPVGNKCZIDUDD-UHFFFAOYSA-N 1 2 302.809 3.513 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329063789 563833383 /nfs/dbraw/zinc/83/33/83/563833383.db2.gz XEYGQRKPPZUYPA-NSHDSACASA-N 1 2 316.836 3.805 40 0 DHABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072384615 191144108 /nfs/dbraw/zinc/14/41/08/191144108.db2.gz RIWXDILDDJQGIX-LBPRGKRZSA-N 1 2 303.435 3.530 40 0 DHABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072384615 191144110 /nfs/dbraw/zinc/14/41/10/191144110.db2.gz RIWXDILDDJQGIX-LBPRGKRZSA-N 1 2 303.435 3.530 40 0 DHABLO Cc1ccc([C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)nc1 ZINC000257296968 203021509 /nfs/dbraw/zinc/02/15/09/203021509.db2.gz RFFKOWFGDKNUDO-FQEVSTJZSA-N 1 2 319.408 3.512 40 0 DHABLO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)nc1 ZINC000257296968 203021512 /nfs/dbraw/zinc/02/15/12/203021512.db2.gz RFFKOWFGDKNUDO-FQEVSTJZSA-N 1 2 319.408 3.512 40 0 DHABLO Cc1cc(CC2CCN(C(=O)c3ccsc3)CC2)cc[nH+]1 ZINC000257283353 203010719 /nfs/dbraw/zinc/01/07/19/203010719.db2.gz OXXULWOCRCKTDV-UHFFFAOYSA-N 1 2 300.427 3.546 40 0 DHABLO CNc1cc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)cc[nH+]1 ZINC000257330756 203052719 /nfs/dbraw/zinc/05/27/19/203052719.db2.gz XPTKKDSWRGZFPO-LFAOLKIESA-N 1 2 313.426 3.562 40 0 DHABLO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC000257311683 203036127 /nfs/dbraw/zinc/03/61/27/203036127.db2.gz UKPRTRRWMZZQJM-HNNXBMFYSA-N 1 2 307.319 3.833 40 0 DHABLO FC(F)(F)c1cccc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC000257311683 203036130 /nfs/dbraw/zinc/03/61/30/203036130.db2.gz UKPRTRRWMZZQJM-HNNXBMFYSA-N 1 2 307.319 3.833 40 0 DHABLO CC1(c2ncc(Cl)s2)CC[NH+](Cc2cscn2)CC1 ZINC000257324636 203048780 /nfs/dbraw/zinc/04/87/80/203048780.db2.gz WPONFLDFWYZJJV-UHFFFAOYSA-N 1 2 313.879 3.807 40 0 DHABLO CC[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1-c1ccc(O)cc1 ZINC000019500992 182126026 /nfs/dbraw/zinc/12/60/26/182126026.db2.gz OKHDCOJYBDJVLM-QGZVFWFLSA-N 1 2 322.412 3.551 40 0 DHABLO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1-c1ccc(O)cc1 ZINC000019500992 182126027 /nfs/dbraw/zinc/12/60/27/182126027.db2.gz OKHDCOJYBDJVLM-QGZVFWFLSA-N 1 2 322.412 3.551 40 0 DHABLO CCCn1c(C)cc2cc(NC(=O)[C@@H](C)n3cc[nH+]c3)ccc21 ZINC000019525967 182128634 /nfs/dbraw/zinc/12/86/34/182128634.db2.gz GBSWGZRKAKKRKR-CQSZACIVSA-N 1 2 310.401 3.756 40 0 DHABLO CC(C)(C)OC(=O)NCc1ccc(NCc2ccccc2)[nH+]c1 ZINC000072225342 257123771 /nfs/dbraw/zinc/12/37/71/257123771.db2.gz JTJYFUCHPHJRDZ-UHFFFAOYSA-N 1 2 313.401 3.718 40 0 DHABLO Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N(C)C ZINC000072218648 257125253 /nfs/dbraw/zinc/12/52/53/257125253.db2.gz UOIKZQHDRFPQNM-HNNXBMFYSA-N 1 2 319.449 3.918 40 0 DHABLO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCC1 ZINC000072214899 257126213 /nfs/dbraw/zinc/12/62/13/257126213.db2.gz ZKWJSKALWTZFEV-UHFFFAOYSA-N 1 2 303.406 3.814 40 0 DHABLO CCN(C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212744 257127404 /nfs/dbraw/zinc/12/74/04/257127404.db2.gz KTZMMAIZIMWGLK-HNNXBMFYSA-N 1 2 319.449 4.000 40 0 DHABLO CN(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212632 257127527 /nfs/dbraw/zinc/12/75/27/257127527.db2.gz LYMKLMMRHRNKBX-KRWDZBQOSA-N 1 2 309.413 3.515 40 0 DHABLO CC(C)[N@H+]1CCCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000257261053 563792448 /nfs/dbraw/zinc/79/24/48/563792448.db2.gz LFNMHYAMCXXWNQ-ZDUSSCGKSA-N 1 2 303.435 3.612 40 0 DHABLO CCCCn1c(CCCCCNC(C)=O)[nH+]c2ccccc21 ZINC000007343639 563338109 /nfs/dbraw/zinc/33/81/09/563338109.db2.gz AVBJEVOFRODTQS-UHFFFAOYSA-N 1 2 301.434 3.685 40 0 DHABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCc2ccccc21 ZINC000030946832 563439739 /nfs/dbraw/zinc/43/97/39/563439739.db2.gz BODSMFGKYCABEY-UHFFFAOYSA-N 1 2 317.392 3.524 40 0 DHABLO CSc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N)[nH+]1 ZINC000049467381 563467553 /nfs/dbraw/zinc/46/75/53/563467553.db2.gz LHTBBFHLJGWIRP-UHFFFAOYSA-N 1 2 301.202 3.831 40 0 DHABLO CSc1nc(N)cc(Nc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000049467381 563467555 /nfs/dbraw/zinc/46/75/55/563467555.db2.gz LHTBBFHLJGWIRP-UHFFFAOYSA-N 1 2 301.202 3.831 40 0 DHABLO CCC[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1cccnc1 ZINC000072341981 563503414 /nfs/dbraw/zinc/50/34/14/563503414.db2.gz PULLSOCTIGASQE-HXUWFJFHSA-N 1 2 321.424 3.929 40 0 DHABLO CCC[N@H+]1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1cccnc1 ZINC000072341981 563503418 /nfs/dbraw/zinc/50/34/18/563503418.db2.gz PULLSOCTIGASQE-HXUWFJFHSA-N 1 2 321.424 3.929 40 0 DHABLO S=C(NCc1ccc(Cl)cc1Cl)Nc1cc[nH+]cc1 ZINC000225178254 563750240 /nfs/dbraw/zinc/75/02/40/563750240.db2.gz HCOVXKFYSBWPSY-UHFFFAOYSA-N 1 2 312.225 3.875 40 0 DHABLO O=C(C1CCCCC1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257256336 563792292 /nfs/dbraw/zinc/79/22/92/563792292.db2.gz KKZSFKZPITWDEU-QGZVFWFLSA-N 1 2 309.413 3.547 40 0 DHABLO O=C(C1CCCCC1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257256335 563792430 /nfs/dbraw/zinc/79/24/30/563792430.db2.gz KKZSFKZPITWDEU-KRWDZBQOSA-N 1 2 309.413 3.547 40 0 DHABLO CC(C)[N@@H+]1CCCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000257261053 563792447 /nfs/dbraw/zinc/79/24/47/563792447.db2.gz LFNMHYAMCXXWNQ-ZDUSSCGKSA-N 1 2 303.435 3.612 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)[nH+]1 ZINC000257333545 563792547 /nfs/dbraw/zinc/79/25/47/563792547.db2.gz YBZYNTWEUBDMQV-HNNXBMFYSA-N 1 2 323.396 3.793 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000216865166 563856967 /nfs/dbraw/zinc/85/69/67/563856967.db2.gz JWHLRCGJUSDCAK-ZIAGYGMSSA-N 1 2 303.450 3.939 40 0 DHABLO CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329040770 563959955 /nfs/dbraw/zinc/95/99/55/563959955.db2.gz SFGVGVQJLKKTHZ-UHFFFAOYSA-N 1 2 322.334 4.548 40 0 DHABLO Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328957934 563960181 /nfs/dbraw/zinc/96/01/81/563960181.db2.gz AMGRHDITKDOICU-UHFFFAOYSA-N 1 2 310.401 4.158 40 0 DHABLO Clc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC3CC3)n2)c1 ZINC000072322135 191122026 /nfs/dbraw/zinc/12/20/26/191122026.db2.gz BHLXYPVWBWEWHM-INIZCTEOSA-N 1 2 317.820 3.513 40 0 biogenic,in-vitro DHABLO Clc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC3CC3)n2)c1 ZINC000072322135 191122027 /nfs/dbraw/zinc/12/20/27/191122027.db2.gz BHLXYPVWBWEWHM-INIZCTEOSA-N 1 2 317.820 3.513 40 0 biogenic,in-vitro DHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2oc3ccccc3c2C)[nH+]1 ZINC000257300736 203025517 /nfs/dbraw/zinc/02/55/17/203025517.db2.gz RVMTYOYUPUSYOP-AWEZNQCLSA-N 1 2 309.369 3.750 40 0 DHABLO CCCc1cc([C@H]2CCCCC[N@@H+]2Cc2cnn(CC)c2)no1 ZINC000019525422 182128336 /nfs/dbraw/zinc/12/83/36/182128336.db2.gz QUFXDYFBXSSWIP-GOSISDBHSA-N 1 2 316.449 3.961 40 0 DHABLO CCCc1cc([C@H]2CCCCC[N@H+]2Cc2cnn(CC)c2)no1 ZINC000019525422 182128337 /nfs/dbraw/zinc/12/83/37/182128337.db2.gz QUFXDYFBXSSWIP-GOSISDBHSA-N 1 2 316.449 3.961 40 0 DHABLO CCn1cc(-c2c[nH+]cn2CCCOc2cccc(C)c2)cn1 ZINC000019719598 182138514 /nfs/dbraw/zinc/13/85/14/182138514.db2.gz QUIUWJSHUDPNFB-UHFFFAOYSA-N 1 2 310.401 3.544 40 0 DHABLO O[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225768 257123610 /nfs/dbraw/zinc/12/36/10/257123610.db2.gz ICCBLOPQFMVVEV-NRFANRHFSA-N 1 2 316.404 3.726 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215990 257124855 /nfs/dbraw/zinc/12/48/55/257124855.db2.gz BERSOEWIDDNYKT-SFHVURJKSA-N 1 2 321.424 3.659 40 0 DHABLO CCn1c(C[N@@H+]2CCn3cccc3[C@@H]2C(C)C)cnc1SC ZINC000012143738 563362616 /nfs/dbraw/zinc/36/26/16/563362616.db2.gz KJTSMMFBLHWJJJ-INIZCTEOSA-N 1 2 318.490 3.639 40 0 DHABLO CCn1c(C[N@H+]2CCn3cccc3[C@@H]2C(C)C)cnc1SC ZINC000012143738 563362619 /nfs/dbraw/zinc/36/26/19/563362619.db2.gz KJTSMMFBLHWJJJ-INIZCTEOSA-N 1 2 318.490 3.639 40 0 DHABLO CSc1nc(Nc2cccc(C(F)(F)F)c2)cc(N)[nH+]1 ZINC000049467389 563467778 /nfs/dbraw/zinc/46/77/78/563467778.db2.gz NDRPAHQUAGGOJO-UHFFFAOYSA-N 1 2 300.309 3.543 40 0 DHABLO CSc1nc(N)cc(Nc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000049467389 563467779 /nfs/dbraw/zinc/46/77/79/563467779.db2.gz NDRPAHQUAGGOJO-UHFFFAOYSA-N 1 2 300.309 3.543 40 0 DHABLO c1cc(C[N@H+]2CCc3c(COCC4CC4)cncc3C2)cs1 ZINC000096189395 563535546 /nfs/dbraw/zinc/53/55/46/563535546.db2.gz YQKFOTOKHHSEKL-UHFFFAOYSA-N 1 2 314.454 3.628 40 0 DHABLO c1cc(C[N@@H+]2CCc3c(COCC4CC4)cncc3C2)cs1 ZINC000096189395 563535548 /nfs/dbraw/zinc/53/55/48/563535548.db2.gz YQKFOTOKHHSEKL-UHFFFAOYSA-N 1 2 314.454 3.628 40 0 DHABLO Cc1c(Cl)cccc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106303760 563637930 /nfs/dbraw/zinc/63/79/30/563637930.db2.gz IASHKZKAMREMPD-UHFFFAOYSA-N 1 2 300.789 3.603 40 0 DHABLO S=C(Nc1cc[nH+]cc1)NC1(c2cccs2)CCCC1 ZINC000225874569 563765846 /nfs/dbraw/zinc/76/58/46/563765846.db2.gz TZDWXIJBOYYBIA-UHFFFAOYSA-N 1 2 303.456 3.899 40 0 DHABLO S=c1oc(COc2ccccc2)nn1C[NH+]1CCCCCC1 ZINC000059484597 563771751 /nfs/dbraw/zinc/77/17/51/563771751.db2.gz LECXYWHWUJWGRR-UHFFFAOYSA-N 1 2 319.430 3.618 40 0 DHABLO Fc1ccc(Cc2cnc([C@H]3CCN(c4cccc[nH+]4)C3)o2)cc1 ZINC000257200749 563790043 /nfs/dbraw/zinc/79/00/43/563790043.db2.gz AETGIRPGFNFBGP-HNNXBMFYSA-N 1 2 323.371 3.793 40 0 DHABLO CCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329049552 563833562 /nfs/dbraw/zinc/83/35/62/563833562.db2.gz UPWBVJKWGCWWEP-UHFFFAOYSA-N 1 2 324.815 3.816 40 0 DHABLO Cc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329030695 563833678 /nfs/dbraw/zinc/83/36/78/563833678.db2.gz QEXKRZIFGRWEAU-UHFFFAOYSA-N 1 2 308.429 3.604 40 0 DHABLO CCNc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329070017 563834195 /nfs/dbraw/zinc/83/41/95/563834195.db2.gz ZCVOPOGKCWRYGV-UHFFFAOYSA-N 1 2 324.815 3.816 40 0 DHABLO CCN1CC[NH+](Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000216789617 563851864 /nfs/dbraw/zinc/85/18/64/563851864.db2.gz LXWPYHHTRWNUQL-UHFFFAOYSA-N 1 2 321.424 3.632 40 0 DHABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1cccc2ccccc21 ZINC000155547003 563895234 /nfs/dbraw/zinc/89/52/34/563895234.db2.gz JHVSULGSYXIPRM-UHFFFAOYSA-N 1 2 302.377 3.794 40 0 DHABLO CCc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1 ZINC000008086009 563922057 /nfs/dbraw/zinc/92/20/57/563922057.db2.gz UJBDIFFSJINQKW-UHFFFAOYSA-N 1 2 308.425 3.820 40 0 DHABLO CC(C)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000328980764 563959918 /nfs/dbraw/zinc/95/99/18/563959918.db2.gz GOOVCHTYTADPIL-UHFFFAOYSA-N 1 2 302.809 4.571 40 0 DHABLO CC1(C)C[C@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2O1 ZINC000225579591 186279956 /nfs/dbraw/zinc/27/99/56/186279956.db2.gz SJWJJIFIMZJOKT-AWEZNQCLSA-N 1 2 313.426 3.670 40 0 DHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)cc[nH+]1 ZINC000257329972 203053035 /nfs/dbraw/zinc/05/30/35/203053035.db2.gz XMFWRSBLQGFABJ-KRWDZBQOSA-N 1 2 321.424 3.519 40 0 DHABLO Cc1[nH+]c2ccccc2n1Cc1noc(-c2ccccc2C)n1 ZINC000041146275 183176300 /nfs/dbraw/zinc/17/63/00/183176300.db2.gz CADCOIXTVCGNSX-UHFFFAOYSA-N 1 2 304.353 3.751 40 0 DHABLO [O-][n+]1c2c3c(cccc3nc1C[NH+]1CCCCC1)-c1ccccc1-2 ZINC000057680052 184045871 /nfs/dbraw/zinc/04/58/71/184045871.db2.gz XLBPYZGSLNDDSB-UHFFFAOYSA-N 1 2 317.392 3.502 40 0 in-vitro DHABLO O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000408734328 257227266 /nfs/dbraw/zinc/22/72/66/257227266.db2.gz NSXJVKPGQITTFR-INIZCTEOSA-N 1 2 311.772 3.765 40 0 DHABLO CCCCN(C)c1nc(C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000012183313 563364159 /nfs/dbraw/zinc/36/41/59/563364159.db2.gz OFGHYRUIUKSMJV-UHFFFAOYSA-N 1 2 324.472 3.580 40 0 DHABLO CCCCN(C)c1nc(C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000012183313 563364162 /nfs/dbraw/zinc/36/41/62/563364162.db2.gz OFGHYRUIUKSMJV-UHFFFAOYSA-N 1 2 324.472 3.580 40 0 DHABLO Nc1c(C(=[NH2+])Nc2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000020799528 563417756 /nfs/dbraw/zinc/41/77/56/563417756.db2.gz AHAVVNRXWXGEOC-UHFFFAOYSA-N 1 2 311.776 3.545 40 0 DHABLO Cc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000030854707 563438997 /nfs/dbraw/zinc/43/89/97/563438997.db2.gz MDWBXIKAHFCNRP-ZHACJKMWSA-N 1 2 317.392 3.510 40 0 DHABLO CNc1cc([C@@H]2CCCN(C(=O)c3sccc3C)C2)cc[nH+]1 ZINC000257212525 563790639 /nfs/dbraw/zinc/79/06/39/563790639.db2.gz CDVIZTOMLNJKFP-CQSZACIVSA-N 1 2 315.442 3.513 40 0 DHABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc[nH+]1 ZINC000257224397 563791029 /nfs/dbraw/zinc/79/10/29/563791029.db2.gz FBQYTRCIJIQLDC-KRWDZBQOSA-N 1 2 320.396 3.582 40 0 DHABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257241931 563791792 /nfs/dbraw/zinc/79/17/92/563791792.db2.gz IAGQACHSHMSYPU-ZDUSSCGKSA-N 1 2 313.430 3.507 40 0 DHABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257241931 563791794 /nfs/dbraw/zinc/79/17/94/563791794.db2.gz IAGQACHSHMSYPU-ZDUSSCGKSA-N 1 2 313.430 3.507 40 0 DHABLO CC[C@@H](C)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328977904 563832569 /nfs/dbraw/zinc/83/25/69/563832569.db2.gz FWZMRSPSKKAPFP-LLVKDONJSA-N 1 2 316.836 3.805 40 0 DHABLO CCNc1nc(Nc2cccc(C)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329030679 563833429 /nfs/dbraw/zinc/83/34/29/563833429.db2.gz QEQRKZQOVHCJTE-UHFFFAOYSA-N 1 2 318.424 3.780 40 0 DHABLO Cc1ccc(N2CCC[NH+]=C2NC(=S)c2ccccc2)cc1 ZINC000028527197 563939504 /nfs/dbraw/zinc/93/95/04/563939504.db2.gz AFHPSWHLAVWGIL-UHFFFAOYSA-N 1 2 309.438 3.526 40 0 DHABLO CC(C)c1[nH]c2ccc(NC(=O)c3ccc([N-][N+]#N)nc3)cc2[nH+]1 ZINC000095474999 185373118 /nfs/dbraw/zinc/37/31/18/185373118.db2.gz NPQNJBUFRJGOLK-UHFFFAOYSA-O 1 2 322.352 3.514 40 0 DHABLO CC(C)C[NH+]1CCC(c2csc(Nc3ncccn3)n2)CC1 ZINC000072363459 191132916 /nfs/dbraw/zinc/13/29/16/191132916.db2.gz BQHQNISGBYGOPR-UHFFFAOYSA-N 1 2 317.462 3.512 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2c(F)cccc2F)n1 ZINC000019291049 182113377 /nfs/dbraw/zinc/11/33/77/182113377.db2.gz DGFSKLCEHYYFAY-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2c(F)cccc2F)n1 ZINC000019291049 182113379 /nfs/dbraw/zinc/11/33/79/182113379.db2.gz DGFSKLCEHYYFAY-QGZVFWFLSA-N 1 2 305.372 3.816 40 0 DHABLO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)cc1O ZINC000019119395 182104979 /nfs/dbraw/zinc/10/49/79/182104979.db2.gz FLSBELFFSWFAMO-INIZCTEOSA-N 1 2 316.401 3.815 40 0 DHABLO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)cc1O ZINC000019119395 182104981 /nfs/dbraw/zinc/10/49/81/182104981.db2.gz FLSBELFFSWFAMO-INIZCTEOSA-N 1 2 316.401 3.815 40 0 DHABLO Fc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)CCO3 ZINC000019372258 182121046 /nfs/dbraw/zinc/12/10/46/182121046.db2.gz PZCLHRGQHOZABG-UHFFFAOYSA-N 1 2 308.356 3.769 40 0 DHABLO Fc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)CCO3 ZINC000019372258 182121047 /nfs/dbraw/zinc/12/10/47/182121047.db2.gz PZCLHRGQHOZABG-UHFFFAOYSA-N 1 2 308.356 3.769 40 0 DHABLO CC(C)(CO)CCCn1c[nH+]cc1-c1c[nH]nc1-c1ccccc1 ZINC000019719581 182138703 /nfs/dbraw/zinc/13/87/03/182138703.db2.gz ORXVWBWITSTNEW-UHFFFAOYSA-N 1 2 324.428 3.739 40 0 DHABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072212904 257127636 /nfs/dbraw/zinc/12/76/36/257127636.db2.gz CEKCMQLFRDZOPO-GOSISDBHSA-N 1 2 323.440 3.905 40 0 DHABLO CCC(=O)N1CCc2cc(-c3cn4cc(C)ccc4[nH+]3)ccc21 ZINC000012088185 563361706 /nfs/dbraw/zinc/36/17/06/563361706.db2.gz BRACEYHVXRWQPW-UHFFFAOYSA-N 1 2 305.381 3.609 40 0 DHABLO CC[C@](O)(c1c[nH+]c(C)n1Cc1ccccc1)c1ccccc1 ZINC000013281740 563380001 /nfs/dbraw/zinc/38/00/01/563380001.db2.gz FLIYIFLGOGWACE-HXUWFJFHSA-N 1 2 306.409 3.886 40 0 DHABLO CNc1cccc(CC[C@H]2CCCCN2C(=O)C2CCCC2)[nH+]1 ZINC000585177160 563525710 /nfs/dbraw/zinc/52/57/10/563525710.db2.gz HWTQZWWDPFQTJT-QGZVFWFLSA-N 1 2 315.461 3.627 40 0 DHABLO CC[N@H+](CCO)[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000095934895 563531268 /nfs/dbraw/zinc/53/12/68/563531268.db2.gz KFDOEMHLULHRKQ-QGZVFWFLSA-N 1 2 317.816 3.578 40 0 DHABLO CC[N@@H+](CCO)[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000095934895 563531269 /nfs/dbraw/zinc/53/12/69/563531269.db2.gz KFDOEMHLULHRKQ-QGZVFWFLSA-N 1 2 317.816 3.578 40 0 DHABLO CCNc1nc(Nc2cccc(F)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329010140 563832796 /nfs/dbraw/zinc/83/27/96/563832796.db2.gz LZOUGYWMTGXKIM-UHFFFAOYSA-N 1 2 322.387 3.610 40 0 DHABLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)o1 ZINC000268245145 563961681 /nfs/dbraw/zinc/96/16/81/563961681.db2.gz XYNVEAQCFLMFOE-ZYHUDNBSSA-N 1 2 305.447 3.842 40 0 DHABLO CN(C(=S)Nc1ccccc1)c1cc(N2CCCC2)cc[nH+]1 ZINC000005599797 181262163 /nfs/dbraw/zinc/26/21/63/181262163.db2.gz BOXHITRBBNABNK-UHFFFAOYSA-N 1 2 312.442 3.515 40 0 DHABLO Cc1ccc([NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000219859988 201565287 /nfs/dbraw/zinc/56/52/87/201565287.db2.gz BPTSNAOWGJQDEW-UHFFFAOYSA-N 1 2 320.436 3.801 40 0 DHABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257284008 203011957 /nfs/dbraw/zinc/01/19/57/203011957.db2.gz PAWNAJBNUQSDQJ-CYBMUJFWSA-N 1 2 311.410 3.563 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2cccc(F)c2F)n1 ZINC000019291087 182113814 /nfs/dbraw/zinc/11/38/14/182113814.db2.gz VPZGHQDUYTVNQV-INIZCTEOSA-N 1 2 305.372 3.816 40 0 DHABLO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2cccc(F)c2F)n1 ZINC000019291087 182113815 /nfs/dbraw/zinc/11/38/15/182113815.db2.gz VPZGHQDUYTVNQV-INIZCTEOSA-N 1 2 305.372 3.816 40 0 DHABLO Cc1nn(C)cc1-c1c[nH+]cn1[C@H](C)c1ccc2c(c1)CCCO2 ZINC000019719470 182137477 /nfs/dbraw/zinc/13/74/77/182137477.db2.gz IVYYPVVCEXRTJD-CQSZACIVSA-N 1 2 322.412 3.526 40 0 DHABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213726 257126342 /nfs/dbraw/zinc/12/63/42/257126342.db2.gz MBJICXWYZGCLNK-KRWDZBQOSA-N 1 2 307.397 3.633 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000247993195 341372033 /nfs/dbraw/zinc/37/20/33/341372033.db2.gz BMQMLQFXJOOBME-WBMJQRKESA-N 1 2 319.836 3.553 40 0 DHABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[N@@H+]1CCCC[C@H]1C ZINC000247993195 341372034 /nfs/dbraw/zinc/37/20/34/341372034.db2.gz BMQMLQFXJOOBME-WBMJQRKESA-N 1 2 319.836 3.553 40 0 DHABLO CCn1c(C[N@@H+]2CCn3cccc3[C@H]2C(C)C)cnc1SC ZINC000012143739 563362388 /nfs/dbraw/zinc/36/23/88/563362388.db2.gz KJTSMMFBLHWJJJ-MRXNPFEDSA-N 1 2 318.490 3.639 40 0 DHABLO CCn1c(C[N@H+]2CCn3cccc3[C@H]2C(C)C)cnc1SC ZINC000012143739 563362391 /nfs/dbraw/zinc/36/23/91/563362391.db2.gz KJTSMMFBLHWJJJ-MRXNPFEDSA-N 1 2 318.490 3.639 40 0 DHABLO Cc1cccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)C)[nH+]c12 ZINC000012143582 563362433 /nfs/dbraw/zinc/36/24/33/563362433.db2.gz CTBWWTFIYUUYAL-UHFFFAOYSA-N 1 2 319.408 3.855 40 0 DHABLO C=Cn1ncc(C[N@H+](Cc2cccs2)Cc2cccnc2)c1C ZINC000013569766 563660611 /nfs/dbraw/zinc/66/06/11/563660611.db2.gz VGICWRUGXHMKPH-UHFFFAOYSA-N 1 2 324.453 3.951 40 0 DHABLO C=Cn1ncc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c1C ZINC000013569766 563660613 /nfs/dbraw/zinc/66/06/13/563660613.db2.gz VGICWRUGXHMKPH-UHFFFAOYSA-N 1 2 324.453 3.951 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000216865140 563856975 /nfs/dbraw/zinc/85/69/75/563856975.db2.gz JWHLRCGJUSDCAK-OKILXGFUSA-N 1 2 303.450 3.939 40 0 DHABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000216865140 563856977 /nfs/dbraw/zinc/85/69/77/563856977.db2.gz JWHLRCGJUSDCAK-OKILXGFUSA-N 1 2 303.450 3.939 40 0 DHABLO [NH3+][C@H](c1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533955 563931805 /nfs/dbraw/zinc/93/18/05/563931805.db2.gz OYMTUGCDOCVIQE-ZDUSSCGKSA-N 1 2 319.195 3.827 40 0 DHABLO CNc1nc(Nc2ccc(F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329023587 563959893 /nfs/dbraw/zinc/95/98/93/563959893.db2.gz OVFVUEMVNHBNMB-UHFFFAOYSA-N 1 2 308.360 4.376 40 0 DHABLO C=Cn1cc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c(C)n1 ZINC000013989259 1022010256 /nfs/dbraw/zinc/01/02/56/1022010256.db2.gz ABNXLDRUBBQYMD-UHFFFAOYSA-N 1 2 318.424 3.889 40 0 DHABLO C=Cn1cc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)c(C)n1 ZINC000013989259 1022010271 /nfs/dbraw/zinc/01/02/71/1022010271.db2.gz ABNXLDRUBBQYMD-UHFFFAOYSA-N 1 2 318.424 3.889 40 0 DHABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072384616 191143646 /nfs/dbraw/zinc/14/36/46/191143646.db2.gz RIWXDILDDJQGIX-GFCCVEGCSA-N 1 2 303.435 3.530 40 0 DHABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072384616 191143649 /nfs/dbraw/zinc/14/36/49/191143649.db2.gz RIWXDILDDJQGIX-GFCCVEGCSA-N 1 2 303.435 3.530 40 0 DHABLO c1c(CSc2nnc(-c3ccccc3)o2)[nH+]c2ccccn12 ZINC000006038314 181307521 /nfs/dbraw/zinc/30/75/21/181307521.db2.gz PBMFJEAPRIFGQF-UHFFFAOYSA-N 1 2 308.366 3.677 40 0 DHABLO COc1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219850384 201564743 /nfs/dbraw/zinc/56/47/43/201564743.db2.gz FNZLFUIMVQKSIQ-UHFFFAOYSA-N 1 2 324.424 3.859 40 0 DHABLO CC(=O)N1C[N@@H+](CCC(C)C)Cc2c3c(sc21)CCCC3 ZINC000020192337 182196040 /nfs/dbraw/zinc/19/60/40/182196040.db2.gz BIFSBQGPFILAFU-UHFFFAOYSA-N 1 2 306.475 3.799 40 0 DHABLO CC(=O)N1C[N@H+](CCC(C)C)Cc2c3c(sc21)CCCC3 ZINC000020192337 182196041 /nfs/dbraw/zinc/19/60/41/182196041.db2.gz BIFSBQGPFILAFU-UHFFFAOYSA-N 1 2 306.475 3.799 40 0 DHABLO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216676 257125651 /nfs/dbraw/zinc/12/56/51/257125651.db2.gz RVWVUXUWPOLEOI-QGZVFWFLSA-N 1 2 301.434 3.536 40 0 DHABLO CC(C)(C)OC(=O)N(c1ncccc1C1=[NH+]CCCC1)C1CC1 ZINC000072215393 257125865 /nfs/dbraw/zinc/12/58/65/257125865.db2.gz UHZWEYHYAOMYAB-UHFFFAOYSA-N 1 2 315.417 3.959 40 0 DHABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213775 257126181 /nfs/dbraw/zinc/12/61/81/257126181.db2.gz HRZDQWLEYXZRTR-CQSZACIVSA-N 1 2 303.406 3.728 40 0 DHABLO CC(=O)N1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)[nH+]c1 ZINC000072212990 257126867 /nfs/dbraw/zinc/12/68/67/257126867.db2.gz GRUINCSPJZAZSC-KRWDZBQOSA-N 1 2 303.450 3.778 40 0 DHABLO CN(C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212624 257126945 /nfs/dbraw/zinc/12/69/45/257126945.db2.gz CBHZBXPXYAJSDZ-CQSZACIVSA-N 1 2 305.422 3.610 40 0 DHABLO CC(C)Nc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000328999313 257231220 /nfs/dbraw/zinc/23/12/20/257231220.db2.gz JWLHQISUCURHLO-UHFFFAOYSA-N 1 2 320.799 3.554 40 0 DHABLO c1ccc(C[N@@H+]2CCc3ncnc(Nc4ccccc4)c3C2)cc1 ZINC000001556758 563284797 /nfs/dbraw/zinc/28/47/97/563284797.db2.gz YGENYHDNAIOTIZ-UHFFFAOYSA-N 1 2 316.408 3.779 40 0 DHABLO c1ccc(C[N@H+]2CCc3ncnc(Nc4ccccc4)c3C2)cc1 ZINC000001556758 563284799 /nfs/dbraw/zinc/28/47/99/563284799.db2.gz YGENYHDNAIOTIZ-UHFFFAOYSA-N 1 2 316.408 3.779 40 0 DHABLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(Cl)c2)c1C ZINC000051234732 563469240 /nfs/dbraw/zinc/46/92/40/563469240.db2.gz GDEHELGFGFTFFM-UHFFFAOYSA-N 1 2 319.792 3.682 40 0 DHABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[NH+]1CCCCC1 ZINC000216866569 563711734 /nfs/dbraw/zinc/71/17/34/563711734.db2.gz PJBVNZQSRHHTFG-UHFFFAOYSA-N 1 2 309.413 3.820 40 0 DHABLO Cc1ccc2c(C)cc(SCC[NH+]3CCOCC3)nc2c1C ZINC000026099359 563731179 /nfs/dbraw/zinc/73/11/79/563731179.db2.gz MBKZBTIJBRVGIA-UHFFFAOYSA-N 1 2 316.470 3.584 40 0 DHABLO S=C(NCC1(c2ccccc2)CCCC1)Nc1cc[nH+]cc1 ZINC000223972741 563738515 /nfs/dbraw/zinc/73/85/15/563738515.db2.gz SMQAPWMPHKMMCV-UHFFFAOYSA-N 1 2 311.454 3.880 40 0 DHABLO Cc1ccc(CSCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225294821 563751512 /nfs/dbraw/zinc/75/15/12/563751512.db2.gz LEAOLEZFOFNOHH-UHFFFAOYSA-N 1 2 317.483 3.610 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)[nH+]1 ZINC000257211020 563789764 /nfs/dbraw/zinc/78/97/64/563789764.db2.gz BXDIPQZFGBTPGZ-SFHVURJKSA-N 1 2 323.440 3.617 40 0 DHABLO CNc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2)[nH+]1 ZINC000257223200 563790427 /nfs/dbraw/zinc/79/04/27/563790427.db2.gz DWIMPZXEJMEAFB-SFHVURJKSA-N 1 2 323.440 3.751 40 0 DHABLO CC[C@H](C)Nc1nc(Nc2c(C)cccc2C)cc(C2CC2)[nH+]1 ZINC000329065474 563834670 /nfs/dbraw/zinc/83/46/70/563834670.db2.gz XSCGGCJJXHKGCO-AWEZNQCLSA-N 1 2 310.445 3.769 40 0 DHABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1 ZINC000329022165 563960250 /nfs/dbraw/zinc/96/02/50/563960250.db2.gz OLHBXKAOUONFPT-UHFFFAOYSA-N 1 2 312.417 4.317 40 0 DHABLO O=C(CCCn1cc[nH+]c1)Nc1ccc(OC2CCCC2)cc1 ZINC000072392186 191147125 /nfs/dbraw/zinc/14/71/25/191147125.db2.gz JUDNVHJUQYAGNI-UHFFFAOYSA-N 1 2 313.401 3.623 40 0 DHABLO CCc1[nH+]cc([C@@](C)(O)c2ccccc2)n1Cc1ccccc1 ZINC000005502426 181250824 /nfs/dbraw/zinc/25/08/24/181250824.db2.gz MGJWEHDRICUGFI-FQEVSTJZSA-N 1 2 306.409 3.750 40 0 DHABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)cc[nH+]1 ZINC000257301086 203024578 /nfs/dbraw/zinc/02/45/78/203024578.db2.gz RWXYKNKIJMFFLZ-CQSZACIVSA-N 1 2 315.442 3.513 40 0 DHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2coc3cc(C)ccc23)[nH+]1 ZINC000257293806 203018260 /nfs/dbraw/zinc/01/82/60/203018260.db2.gz QRFXIIQHLPYKCX-MRXNPFEDSA-N 1 2 323.396 3.679 40 0 DHABLO CCCn1cc(-c2c[nH+]cn2CCCc2ccccc2OC)cn1 ZINC000019719501 182138092 /nfs/dbraw/zinc/13/80/92/182138092.db2.gz VAQLWMUUDRVMLZ-UHFFFAOYSA-N 1 2 324.428 3.798 40 0 DHABLO CCCNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213191 257127242 /nfs/dbraw/zinc/12/72/42/257127242.db2.gz PQJHBAMRBNIOEK-AWEZNQCLSA-N 1 2 305.422 3.976 40 0 DHABLO CCCNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213192 257127244 /nfs/dbraw/zinc/12/72/44/257127244.db2.gz PQJHBAMRBNIOEK-CQSZACIVSA-N 1 2 305.422 3.976 40 0 DHABLO CCN(CC)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212844 257127319 /nfs/dbraw/zinc/12/73/19/257127319.db2.gz JUBGUQIYUMYRKS-GOSISDBHSA-N 1 2 323.440 3.905 40 0 DHABLO Cc1cccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)c1C ZINC000409196938 257221207 /nfs/dbraw/zinc/22/12/07/257221207.db2.gz SRUJXEWMMREYLM-UHFFFAOYSA-N 1 2 308.425 3.875 40 0 DHABLO CCNc1nc(Nc2ccc(Cl)c(C)c2)cc(C2CC2)[nH+]1 ZINC000329036886 563959965 /nfs/dbraw/zinc/95/99/65/563959965.db2.gz RKXDOKJVCDBJRV-UHFFFAOYSA-N 1 2 302.809 4.491 40 0 DHABLO Cc1[nH+]cc([C@](C)(O)c2ccccc2C)n1Cc1ccccc1 ZINC000013281774 563379815 /nfs/dbraw/zinc/37/98/15/563379815.db2.gz ZHPCBONTGXXFMC-HXUWFJFHSA-N 1 2 306.409 3.804 40 0 DHABLO COc1cccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)c1 ZINC000049467964 563467664 /nfs/dbraw/zinc/46/76/64/563467664.db2.gz XAXUYWNHWPUEHG-UHFFFAOYSA-N 1 2 310.332 3.617 40 0 DHABLO COc1cccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)c1 ZINC000049467964 563467667 /nfs/dbraw/zinc/46/76/67/563467667.db2.gz XAXUYWNHWPUEHG-UHFFFAOYSA-N 1 2 310.332 3.617 40 0 DHABLO Cc1ccc([N@H+](C)CCCNC(=O)c2ccc(C)cc2C)cc1 ZINC000225058229 563747872 /nfs/dbraw/zinc/74/78/72/563747872.db2.gz UWTKIYMJVIPFNB-UHFFFAOYSA-N 1 2 310.441 3.868 40 0 DHABLO Cc1ccc([N@@H+](C)CCCNC(=O)c2ccc(C)cc2C)cc1 ZINC000225058229 563747874 /nfs/dbraw/zinc/74/78/74/563747874.db2.gz UWTKIYMJVIPFNB-UHFFFAOYSA-N 1 2 310.441 3.868 40 0 DHABLO Cc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225452183 563755845 /nfs/dbraw/zinc/75/58/45/563755845.db2.gz KKGMIYNGIQZDPI-UHFFFAOYSA-N 1 2 322.437 3.667 40 0 DHABLO CCNc1nc(Nc2ccc(C)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328996633 563832896 /nfs/dbraw/zinc/83/28/96/563832896.db2.gz JKSBYFLGZXPWQP-UHFFFAOYSA-N 1 2 322.387 3.610 40 0 DHABLO CC(C)Nc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329033388 563833423 /nfs/dbraw/zinc/83/34/23/563833423.db2.gz QUKQFDWKDFPXFM-UHFFFAOYSA-N 1 2 320.799 3.554 40 0 DHABLO CCc1nc(N)c2c([nH+]1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O ZINC000408712670 563960471 /nfs/dbraw/zinc/96/04/71/563960471.db2.gz GFESTPVLHSGRTL-CYBMUJFWSA-N 1 2 323.440 3.831 40 0 DHABLO