smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1[nH+]c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2n1C ZINC000019453825 202009329 /nfs/dbraw/zinc/00/93/29/202009329.db2.gz LNHXPCWGQMJHNL-UHFFFAOYSA-N 1 2 333.342 3.541 40 0 EHABLO C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030943907 202201762 /nfs/dbraw/zinc/20/17/62/202201762.db2.gz NSIPRSFXJOJQJA-QGZVFWFLSA-N 1 2 333.435 3.683 40 0 EHABLO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2cc(O)ccc21 ZINC000225819190 242052773 /nfs/dbraw/zinc/05/27/73/242052773.db2.gz CKEXYSMCYYGFET-UHFFFAOYSA-N 1 2 341.382 3.531 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc3ccccc3s2)[nH+]1 ZINC000257230142 244209874 /nfs/dbraw/zinc/20/98/74/244209874.db2.gz GAZPKGFDRZINAR-CQSZACIVSA-N 1 2 325.437 3.921 40 0 EHABLO Cc1cccc(Nc2ccc(C3CC[NH+](Cc4ncc[nH]4)CC3)nc2)n1 ZINC000072374288 203209123 /nfs/dbraw/zinc/20/91/23/203209123.db2.gz UDGDWKIAYNURDV-UHFFFAOYSA-N 1 2 348.454 3.631 40 0 EHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072379213 203211272 /nfs/dbraw/zinc/21/12/72/203211272.db2.gz XUPKGOMCSTVCTF-MRXNPFEDSA-N 1 2 348.454 3.565 40 0 EHABLO COc1cccc(C(=O)Nc2cc([NH+]3CCCCC3)c(C)cc2N)c1 ZINC000226331521 205128950 /nfs/dbraw/zinc/12/89/50/205128950.db2.gz BVGTWQSQLDADQC-UHFFFAOYSA-N 1 2 339.439 3.828 40 0 EHABLO CCOc1ccc2cc(CNc3ccc([NH+](C)C)cc3)c(=O)[nH]c2c1 ZINC000012088254 563653205 /nfs/dbraw/zinc/65/32/05/563653205.db2.gz SXEKTAGTTZPLCV-UHFFFAOYSA-N 1 2 337.423 3.605 40 0 EHABLO COc1ccc([C@@H](O)/C(=C/n2cc[nH+]c2)c2ccccc2)cc1OC ZINC000013216163 563692318 /nfs/dbraw/zinc/69/23/18/563692318.db2.gz IKCJARORQJCFIF-XMJIKXADSA-N 1 2 336.391 3.632 40 0 EHABLO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225689 563692716 /nfs/dbraw/zinc/69/27/16/563692716.db2.gz RSHRMMYCZMFBAS-KAPURRDVSA-N 1 2 348.450 3.636 40 0 EHABLO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225689 563692720 /nfs/dbraw/zinc/69/27/20/563692720.db2.gz RSHRMMYCZMFBAS-KAPURRDVSA-N 1 2 348.450 3.636 40 0 EHABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3ccncc3)o2)s1 ZINC000060016726 563949546 /nfs/dbraw/zinc/94/95/46/563949546.db2.gz SKCLVXMVRUDMJK-AWEZNQCLSA-N 1 2 326.425 3.839 40 0 EHABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3ccncc3)o2)s1 ZINC000060016726 563949548 /nfs/dbraw/zinc/94/95/48/563949548.db2.gz SKCLVXMVRUDMJK-AWEZNQCLSA-N 1 2 326.425 3.839 40 0 EHABLO CCn1ncc(C[N@H+](Cc2cccs2)Cc2cccnc2)c1C ZINC000013569742 564020173 /nfs/dbraw/zinc/02/01/73/564020173.db2.gz ZJWXHAPKUCJKHQ-UHFFFAOYSA-N 1 2 326.469 3.870 40 0 EHABLO CCn1ncc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c1C ZINC000013569742 564020174 /nfs/dbraw/zinc/02/01/74/564020174.db2.gz ZJWXHAPKUCJKHQ-UHFFFAOYSA-N 1 2 326.469 3.870 40 0 EHABLO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cc[nH+]cc1 ZINC000225680437 564049359 /nfs/dbraw/zinc/04/93/59/564049359.db2.gz YOYFDWVNFKGIIE-HNNXBMFYSA-N 1 2 327.453 3.979 40 0 EHABLO C[C@@H](Sc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031850842 564049993 /nfs/dbraw/zinc/04/99/93/564049993.db2.gz HSFSNKQJWGZIPA-QGZVFWFLSA-N 1 2 340.492 3.512 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc[nH+]1 ZINC000257320675 564055375 /nfs/dbraw/zinc/05/53/75/564055375.db2.gz VXZCVBOBNITYOB-GOSISDBHSA-N 1 2 341.430 3.583 40 0 EHABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329043617 564071849 /nfs/dbraw/zinc/07/18/49/564071849.db2.gz SSPBTGDPSUXXJF-UHFFFAOYSA-N 1 2 334.398 3.753 40 0 EHABLO CC(C)c1nc2c(c(N3CCCC3)n1)CC[N@H+](Cc1cccs1)C2 ZINC000019453657 202008592 /nfs/dbraw/zinc/00/85/92/202008592.db2.gz HVGNOFRWEUISQA-UHFFFAOYSA-N 1 2 342.512 3.820 40 0 EHABLO CC(C)c1nc2c(c(N3CCCC3)n1)CC[N@@H+](Cc1cccs1)C2 ZINC000019453657 202008596 /nfs/dbraw/zinc/00/85/96/202008596.db2.gz HVGNOFRWEUISQA-UHFFFAOYSA-N 1 2 342.512 3.820 40 0 EHABLO CC(C)(CO)CCCn1c[nH+]cc1-c1cnc(N2CCCCC2)s1 ZINC000019719448 202017403 /nfs/dbraw/zinc/01/74/03/202017403.db2.gz ROSDDLGYNZIMDX-UHFFFAOYSA-N 1 2 348.516 3.796 40 0 EHABLO Cc1nc(N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cc[nH+]1 ZINC000257245636 244256594 /nfs/dbraw/zinc/25/65/94/244256594.db2.gz IQKKWJGSGGFRGE-QGZVFWFLSA-N 1 2 338.386 3.844 40 0 EHABLO c1csc(-c2nnc([C@H]3CCCC[N@H+]3Cc3cccnc3)o2)c1 ZINC000072390133 203213881 /nfs/dbraw/zinc/21/38/81/203213881.db2.gz BTFGDWYEXPSGOF-CQSZACIVSA-N 1 2 326.425 3.920 40 0 EHABLO c1csc(-c2nnc([C@H]3CCCC[N@@H+]3Cc3cccnc3)o2)c1 ZINC000072390133 203213884 /nfs/dbraw/zinc/21/38/84/203213884.db2.gz BTFGDWYEXPSGOF-CQSZACIVSA-N 1 2 326.425 3.920 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000257319951 244516176 /nfs/dbraw/zinc/51/61/76/244516176.db2.gz VUSSHGCNUTURPZ-KRWDZBQOSA-N 1 2 337.402 3.651 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000257319951 244516189 /nfs/dbraw/zinc/51/61/89/244516189.db2.gz VUSSHGCNUTURPZ-KRWDZBQOSA-N 1 2 337.402 3.651 40 0 EHABLO COc1ccccc1C(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226255134 205121337 /nfs/dbraw/zinc/12/13/37/205121337.db2.gz AGAKHBAPGYKOOG-CQSZACIVSA-N 1 2 339.439 3.909 40 0 EHABLO COc1ccccc1C(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226255134 205121339 /nfs/dbraw/zinc/12/13/39/205121339.db2.gz AGAKHBAPGYKOOG-CQSZACIVSA-N 1 2 339.439 3.909 40 0 EHABLO COc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCCC4)cc3)cc2c1 ZINC000012088260 563653096 /nfs/dbraw/zinc/65/30/96/563653096.db2.gz NBNKIUYGCCWWJD-UHFFFAOYSA-N 1 2 349.434 3.749 40 0 EHABLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000076073143 563937094 /nfs/dbraw/zinc/93/70/94/563937094.db2.gz BUTHTEYUQDNBSP-OCCSQVGLSA-N 1 2 332.473 3.738 40 0 EHABLO Cc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000223121678 564038951 /nfs/dbraw/zinc/03/89/51/564038951.db2.gz WCLZSPCXUNKHTB-UHFFFAOYSA-N 1 2 333.435 3.738 40 0 EHABLO CC(C)Oc1ccc(CCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225570167 564047888 /nfs/dbraw/zinc/04/78/88/564047888.db2.gz QHTINUSYZJILQN-UHFFFAOYSA-N 1 2 329.469 3.788 40 0 EHABLO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cc[nH+]cc1 ZINC000225680461 564049371 /nfs/dbraw/zinc/04/93/71/564049371.db2.gz YOYFDWVNFKGIIE-OAHLLOKOSA-N 1 2 327.453 3.979 40 0 EHABLO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000095534893 564141683 /nfs/dbraw/zinc/14/16/83/564141683.db2.gz PYUNSQUXYBPGFH-CQSZACIVSA-N 1 2 332.329 3.733 40 0 EHABLO Cc1ncsc1-c1nnc([C@H]2CCCC[N@@H+]2Cc2ccncc2)o1 ZINC000019562696 202012154 /nfs/dbraw/zinc/01/21/54/202012154.db2.gz UZPWQCSKHFAQQF-CQSZACIVSA-N 1 2 341.440 3.624 40 0 EHABLO Cc1ncsc1-c1nnc([C@H]2CCCC[N@H+]2Cc2ccncc2)o1 ZINC000019562696 202012157 /nfs/dbraw/zinc/01/21/57/202012157.db2.gz UZPWQCSKHFAQQF-CQSZACIVSA-N 1 2 341.440 3.624 40 0 EHABLO O=C(Nc1ccc2ccccc2c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020045095 202030588 /nfs/dbraw/zinc/03/05/88/202030588.db2.gz KSKFXHGSGRRUEB-UHFFFAOYSA-N 1 2 346.430 3.924 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000072203482 216069314 /nfs/dbraw/zinc/06/93/14/216069314.db2.gz VRQJNGXOJMVRSB-NSHDSACASA-N 1 2 345.896 3.628 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000072203482 216069317 /nfs/dbraw/zinc/06/93/17/216069317.db2.gz VRQJNGXOJMVRSB-NSHDSACASA-N 1 2 345.896 3.628 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)[nH+]1 ZINC000257205167 244131270 /nfs/dbraw/zinc/13/12/70/244131270.db2.gz AXXOECFTBSFLGE-CQSZACIVSA-N 1 2 329.419 3.541 40 0 EHABLO CNc1cc([C@@H]2CCCN2C(=O)c2cnc3ccccc3c2)cc[nH+]1 ZINC000257226376 244201253 /nfs/dbraw/zinc/20/12/53/244201253.db2.gz FKKKJKHDOWKEGD-SFHVURJKSA-N 1 2 332.407 3.649 40 0 EHABLO CCCCc1[nH]c(CN2Cc3nccn3C[C@@H]2c2ccccc2)c[nH+]1 ZINC000257265841 244361474 /nfs/dbraw/zinc/36/14/74/244361474.db2.gz MAOYPGUSBMKTSB-GOSISDBHSA-N 1 2 335.455 3.706 40 0 EHABLO CCCCc1[nH]cc(CN2Cc3nccn3C[C@@H]2c2ccccc2)[nH+]1 ZINC000257265841 244361478 /nfs/dbraw/zinc/36/14/78/244361478.db2.gz MAOYPGUSBMKTSB-GOSISDBHSA-N 1 2 335.455 3.706 40 0 EHABLO CNc1nc([C@H]2CCCC[N@@H+]2Cc2cscn2)cn2cccc12 ZINC000257270468 244377257 /nfs/dbraw/zinc/37/72/57/244377257.db2.gz MUIFXEQLSSSMRA-OAHLLOKOSA-N 1 2 327.457 3.560 40 0 EHABLO CNc1nc([C@H]2CCCC[N@H+]2Cc2cscn2)cn2cccc12 ZINC000257270468 244377265 /nfs/dbraw/zinc/37/72/65/244377265.db2.gz MUIFXEQLSSSMRA-OAHLLOKOSA-N 1 2 327.457 3.560 40 0 EHABLO Clc1nc(N2CCCCC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057345882 132199592 /nfs/dbraw/zinc/19/95/92/132199592.db2.gz WVFIVCNMHORUGE-UHFFFAOYSA-N 1 2 342.874 3.679 40 0 EHABLO Clc1nc(N2CCCCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057345882 132199595 /nfs/dbraw/zinc/19/95/95/132199595.db2.gz WVFIVCNMHORUGE-UHFFFAOYSA-N 1 2 342.874 3.679 40 0 EHABLO Fc1ccc(-c2nc(NCc3ccccn3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000019401982 563855897 /nfs/dbraw/zinc/85/58/97/563855897.db2.gz XKOGBIRCXMRNIL-UHFFFAOYSA-N 1 2 346.369 3.680 40 0 EHABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000044936489 563928536 /nfs/dbraw/zinc/92/85/36/563928536.db2.gz ZGQPLRFFDQGURQ-FQEVSTJZSA-N 1 2 349.434 3.821 40 0 EHABLO S=C(NCCSCc1ccc(Cl)cc1)Nc1cc[nH+]cc1 ZINC000225304510 564045771 /nfs/dbraw/zinc/04/57/71/564045771.db2.gz UOQQVTLWKMIOBZ-UHFFFAOYSA-N 1 2 337.901 3.955 40 0 EHABLO Cc1[nH+]cc(-c2cccc([C@H]3CCCN3C(=O)C(C)(C)C)n2)n1C ZINC000257295913 564054941 /nfs/dbraw/zinc/05/49/41/564054941.db2.gz RAKHKNVKOCYDDD-MRXNPFEDSA-N 1 2 326.444 3.500 40 0 EHABLO CNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328984893 564071243 /nfs/dbraw/zinc/07/12/43/564071243.db2.gz HQFFDHQFEGHTKJ-UHFFFAOYSA-N 1 2 340.374 3.595 40 0 EHABLO Fc1ccc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328989161 564071280 /nfs/dbraw/zinc/07/12/80/564071280.db2.gz IJGPTRRSBQBUHZ-UHFFFAOYSA-N 1 2 344.409 3.964 40 0 EHABLO CC[C@H](C)Nc1nc(NCc2ccccc2C)cc(-c2ccncc2)[nH+]1 ZINC000328989018 564071314 /nfs/dbraw/zinc/07/13/14/564071314.db2.gz IHVIXUFEQHMYMI-INIZCTEOSA-N 1 2 347.466 3.513 40 0 EHABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1C ZINC000328997258 564071384 /nfs/dbraw/zinc/07/13/84/564071384.db2.gz JNFXWDDAHFLHOF-SFHVURJKSA-N 1 2 340.471 3.565 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2ccc(C(=O)OC)cc2)cc(C2CC2)[nH+]1 ZINC000329054060 564071974 /nfs/dbraw/zinc/07/19/74/564071974.db2.gz VJJUICJCMWLATB-LBPRGKRZSA-N 1 2 340.427 3.517 40 0 EHABLO CC(C)(C)Nc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329071941 564072209 /nfs/dbraw/zinc/07/22/09/564072209.db2.gz ZTXCXNCFVLMDOK-UHFFFAOYSA-N 1 2 333.439 3.783 40 0 EHABLO Cn1ncc2c1nc[nH+]c2N[C@@H](COc1ccccc1)c1ccccc1 ZINC000337867007 1138685665 /nfs/dbraw/zinc/68/56/65/1138685665.db2.gz LGIUYEREPYDOKD-SFHVURJKSA-N 1 2 345.406 3.596 40 0 EHABLO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000022531978 202087910 /nfs/dbraw/zinc/08/79/10/202087910.db2.gz KCAGXPMTIXVPMH-OAHLLOKOSA-N 1 2 337.876 3.614 40 0 EHABLO COc1ccc(-n2ncc3c2nc[nH+]c3N[C@H](C)c2ccccc2)cc1 ZINC000035681994 202308715 /nfs/dbraw/zinc/30/87/15/202308715.db2.gz WAFAZJSBKYEBJS-CQSZACIVSA-N 1 2 345.406 3.997 40 0 EHABLO Cc1ccc([NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000219850738 241414328 /nfs/dbraw/zinc/41/43/28/241414328.db2.gz HKJCFBXYJBMRGC-UHFFFAOYSA-N 1 2 334.463 3.796 40 0 EHABLO Cc1cnc([C@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)cn1 ZINC000257216633 244171678 /nfs/dbraw/zinc/17/16/78/244171678.db2.gz CVLSBKUNOWPRLA-QGZVFWFLSA-N 1 2 325.437 3.573 40 0 EHABLO Cc1cnc([C@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)cn1 ZINC000257216633 244171686 /nfs/dbraw/zinc/17/16/86/244171686.db2.gz CVLSBKUNOWPRLA-QGZVFWFLSA-N 1 2 325.437 3.573 40 0 EHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072378938 203210002 /nfs/dbraw/zinc/21/00/02/203210002.db2.gz SHAVMTJJYLUFDQ-KRWDZBQOSA-N 1 2 338.455 3.854 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)[nH+]1 ZINC000257258204 244287244 /nfs/dbraw/zinc/28/72/44/244287244.db2.gz KSUKVWQZMSMZQA-OAHLLOKOSA-N 1 2 337.423 3.803 40 0 EHABLO O=C1N[C@H](c2ccccc2)[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000073297945 203263307 /nfs/dbraw/zinc/26/33/07/203263307.db2.gz NCBPYFZKSGGZGP-YADHBBJMSA-N 1 2 342.442 3.929 40 0 EHABLO C[C@H](c1nccs1)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000101682023 204018636 /nfs/dbraw/zinc/01/86/36/204018636.db2.gz SHDSHHFNMQFYBL-CHWSQXEVSA-N 1 2 325.478 3.535 40 0 EHABLO C[C@H](c1nccs1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000101682023 204018640 /nfs/dbraw/zinc/01/86/40/204018640.db2.gz SHDSHHFNMQFYBL-CHWSQXEVSA-N 1 2 325.478 3.535 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000107798649 204248024 /nfs/dbraw/zinc/24/80/24/204248024.db2.gz JQGPZAGEFNVBAO-YJBOKZPZSA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000107798649 204248028 /nfs/dbraw/zinc/24/80/28/204248028.db2.gz JQGPZAGEFNVBAO-YJBOKZPZSA-N 1 2 341.842 3.688 40 0 EHABLO CCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccc2)[nH+]1 ZINC000328984932 257907779 /nfs/dbraw/zinc/90/77/79/257907779.db2.gz HQUXOBMTIMEQIF-UHFFFAOYSA-N 1 2 342.805 3.955 40 0 EHABLO CCc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000060601933 563949970 /nfs/dbraw/zinc/94/99/70/563949970.db2.gz SGNTWTGKQUUSFE-MRXNPFEDSA-N 1 2 333.435 3.985 40 0 EHABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)no1 ZINC000096070694 563978965 /nfs/dbraw/zinc/97/89/65/563978965.db2.gz MMESDCBFNPBYLP-RRQGHBQHSA-N 1 2 345.468 3.669 40 0 EHABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)no1 ZINC000096070694 563978966 /nfs/dbraw/zinc/97/89/66/563978966.db2.gz MMESDCBFNPBYLP-RRQGHBQHSA-N 1 2 345.468 3.669 40 0 EHABLO CN1[C@H](c2ccccc2)C[N@H+](C)[C@]1(c1ccccc1)c1cccnc1 ZINC000098177465 563982229 /nfs/dbraw/zinc/98/22/29/563982229.db2.gz PLRGFNNQUYLYKT-VXKWHMMOSA-N 1 2 329.447 3.901 40 0 EHABLO CN1[C@H](c2ccccc2)C[N@@H+](C)[C@]1(c1ccccc1)c1cccnc1 ZINC000098177465 563982230 /nfs/dbraw/zinc/98/22/30/563982230.db2.gz PLRGFNNQUYLYKT-VXKWHMMOSA-N 1 2 329.447 3.901 40 0 EHABLO CN(C)c1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212652 563984538 /nfs/dbraw/zinc/98/45/38/563984538.db2.gz MFOVXFUJJNOEMP-QGZVFWFLSA-N 1 2 325.412 3.621 40 0 EHABLO c1cnc(Nc2nccc(C3CC[NH+](C4CCCCC4)CC3)n2)nc1 ZINC000257314809 564055309 /nfs/dbraw/zinc/05/53/09/564055309.db2.gz UYNGAOJYAAMQRM-UHFFFAOYSA-N 1 2 338.459 3.522 40 0 EHABLO CC(C)(C)Nc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000328980751 564071218 /nfs/dbraw/zinc/07/12/18/564071218.db2.gz GOEMESDVYRTJNK-UHFFFAOYSA-N 1 2 333.439 3.783 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329012663 564071490 /nfs/dbraw/zinc/07/14/90/564071490.db2.gz MLTAEAWXFKGDEA-SNVBAGLBSA-N 1 2 334.826 3.944 40 0 EHABLO CC(C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329030212 564071700 /nfs/dbraw/zinc/07/17/00/564071700.db2.gz QCHJRCYVJIVXCN-UHFFFAOYSA-N 1 2 336.361 3.781 40 0 EHABLO CC[C@@H](C)Nc1nc(NCc2cccs2)cc(-c2ccccc2)[nH+]1 ZINC000329026957 564071719 /nfs/dbraw/zinc/07/17/19/564071719.db2.gz PPTIVSYYZRKEFF-CQSZACIVSA-N 1 2 338.480 3.871 40 0 EHABLO CC[C@H](C)Nc1nc(NCc2ccccc2C)cc(-c2cccnc2)[nH+]1 ZINC000329060829 564072014 /nfs/dbraw/zinc/07/20/14/564072014.db2.gz WOMHXXADHGJKSV-INIZCTEOSA-N 1 2 347.466 3.513 40 0 EHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000329070315 564072176 /nfs/dbraw/zinc/07/21/76/564072176.db2.gz ZGCQDZVMAFTCKM-QGZVFWFLSA-N 1 2 326.444 3.835 40 0 EHABLO CC(C)[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112251 564145403 /nfs/dbraw/zinc/14/54/03/564145403.db2.gz FMEKQHYLCPHZRQ-RISCZKNCSA-N 1 2 345.340 3.529 40 0 biogenic,in-vitro EHABLO CC(C)[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112251 564145404 /nfs/dbraw/zinc/14/54/04/564145404.db2.gz FMEKQHYLCPHZRQ-RISCZKNCSA-N 1 2 345.340 3.529 40 0 biogenic,in-vitro EHABLO Cn1c[nH+]cc1CN(Cc1ccccn1)Cc1ccccc1Cl ZINC000019291818 202002164 /nfs/dbraw/zinc/00/21/64/202002164.db2.gz PCXBIQIYLRHSLU-UHFFFAOYSA-N 1 2 326.831 3.671 40 0 EHABLO CCn1c2ccc(NC(=O)Cc3c(C)noc3C)cc2[nH+]c1C(C)C ZINC000019524251 202010177 /nfs/dbraw/zinc/01/01/77/202010177.db2.gz XQGPJGFZHXTDSD-UHFFFAOYSA-N 1 2 340.427 3.966 40 0 EHABLO Cc1ccc(OCCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020491024 202045538 /nfs/dbraw/zinc/04/55/38/202045538.db2.gz APTFGNIRIUJKME-UHFFFAOYSA-N 1 2 349.434 3.656 40 0 EHABLO Cc1ccc(C)c(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000022516396 202086402 /nfs/dbraw/zinc/08/64/02/202086402.db2.gz YFBXTZHMQMAJEM-RMKNXTFCSA-N 1 2 348.490 3.704 40 0 EHABLO C[C@@H](c1nccs1)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000072203853 216069340 /nfs/dbraw/zinc/06/93/40/216069340.db2.gz SHDSHHFNMQFYBL-STQMWFEESA-N 1 2 325.478 3.535 40 0 EHABLO C[C@@H](c1nccs1)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000072203853 216069342 /nfs/dbraw/zinc/06/93/42/216069342.db2.gz SHDSHHFNMQFYBL-STQMWFEESA-N 1 2 325.478 3.535 40 0 EHABLO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000216445197 241192013 /nfs/dbraw/zinc/19/20/13/241192013.db2.gz AXPFGBDXPXEFCM-KRWDZBQOSA-N 1 2 349.434 3.573 40 0 EHABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2ccccc2F)cc[nH+]1 ZINC000257207329 244139911 /nfs/dbraw/zinc/13/99/11/244139911.db2.gz BHGUHRFWYYTUEC-KRWDZBQOSA-N 1 2 327.403 3.559 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)c2cnc3ccccc3c2)cc[nH+]1 ZINC000257226375 244202190 /nfs/dbraw/zinc/20/21/90/244202190.db2.gz FKKKJKHDOWKEGD-GOSISDBHSA-N 1 2 332.407 3.649 40 0 EHABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2cccc(F)c2)CC1 ZINC000226254995 205122035 /nfs/dbraw/zinc/12/20/35/205122035.db2.gz PQJNVZVXPGHKTR-UHFFFAOYSA-N 1 2 327.403 3.897 40 0 EHABLO CC1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)CC1 ZINC000057761932 132201314 /nfs/dbraw/zinc/20/13/14/132201314.db2.gz ZJBYKOMOTRZUGG-UHFFFAOYSA-N 1 2 337.402 3.909 40 0 EHABLO CNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212567 563984431 /nfs/dbraw/zinc/98/44/31/563984431.db2.gz OQFYHFAMVKJVAH-QGZVFWFLSA-N 1 2 325.412 3.987 40 0 EHABLO CCCCc1[nH+]c2ccccc2n1C[C@H](O)CO[C@@H]1CC=CCC1 ZINC000004945745 564005564 /nfs/dbraw/zinc/00/55/64/564005564.db2.gz KCHIWIJFVOJWFI-DLBZAZTESA-N 1 2 328.456 3.865 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)/C=C/c2cccs2)cc[nH+]1 ZINC000257286592 564054768 /nfs/dbraw/zinc/05/47/68/564054768.db2.gz PMEDUJKEIWKFIP-KXPUMZMLSA-N 1 2 327.453 3.586 40 0 EHABLO c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](c4cnccn4)C3)cc2)cc1 ZINC000257334657 564055638 /nfs/dbraw/zinc/05/56/38/564055638.db2.gz YGWKPAIELLKEIG-NRFANRHFSA-N 1 2 331.419 3.717 40 0 EHABLO c1ccc(-c2ccc(C[N@H+]3CCO[C@H](c4cnccn4)C3)cc2)cc1 ZINC000257334657 564055639 /nfs/dbraw/zinc/05/56/39/564055639.db2.gz YGWKPAIELLKEIG-NRFANRHFSA-N 1 2 331.419 3.717 40 0 EHABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329065337 564072080 /nfs/dbraw/zinc/07/20/80/564072080.db2.gz XQGFLSCQXVNNOK-UHFFFAOYSA-N 1 2 348.372 3.843 40 0 EHABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)c1 ZINC000095533579 564141657 /nfs/dbraw/zinc/14/16/57/564141657.db2.gz OUSGTDIOKLPPCS-CQSZACIVSA-N 1 2 348.328 3.547 40 0 EHABLO c1cc(-c2nnc([C@H]3CCCC[N@H+]3Cc3ccccn3)o2)cs1 ZINC000019401744 202007654 /nfs/dbraw/zinc/00/76/54/202007654.db2.gz FWRAWPQEDJLIHT-OAHLLOKOSA-N 1 2 326.425 3.920 40 0 EHABLO c1cc(-c2nnc([C@H]3CCCC[N@@H+]3Cc3ccccn3)o2)cs1 ZINC000019401744 202007658 /nfs/dbraw/zinc/00/76/58/202007658.db2.gz FWRAWPQEDJLIHT-OAHLLOKOSA-N 1 2 326.425 3.920 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000329066576 257901115 /nfs/dbraw/zinc/90/11/15/257901115.db2.gz YBGCPJXJPZVNMP-CQSZACIVSA-N 1 2 334.423 3.647 40 0 EHABLO Clc1cc(Cl)cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000328979948 257908373 /nfs/dbraw/zinc/90/83/73/257908373.db2.gz GIWHCLWNNPIJGQ-UHFFFAOYSA-N 1 2 335.238 3.823 40 0 EHABLO Cc1ccc(C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]2CCCO2)o1 ZINC000012143723 524417335 /nfs/dbraw/zinc/41/73/35/524417335.db2.gz OPBKHYLIINJIBJ-MRXNPFEDSA-N 1 2 331.460 3.790 40 0 EHABLO Cc1ccc(C[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]2CCCO2)o1 ZINC000012143723 524417337 /nfs/dbraw/zinc/41/73/37/524417337.db2.gz OPBKHYLIINJIBJ-MRXNPFEDSA-N 1 2 331.460 3.790 40 0 EHABLO C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000019080714 563853544 /nfs/dbraw/zinc/85/35/44/563853544.db2.gz BGLJWWMNWRWJGN-RYUDHWBXSA-N 1 2 332.473 3.690 40 0 EHABLO Cc1[nH+]cc(-c2cc([C@H]3CCCN3C(=O)c3ccccc3)ccn2)n1C ZINC000585261159 563980701 /nfs/dbraw/zinc/98/07/01/563980701.db2.gz VIDICYIOILWFCL-LJQANCHMSA-N 1 2 346.434 3.768 40 0 EHABLO Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000004966645 564005706 /nfs/dbraw/zinc/00/57/06/564005706.db2.gz QAKZCOXCKWDSGB-UHFFFAOYSA-N 1 2 336.435 3.528 40 0 EHABLO Cc1ccc([NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000219863062 564035536 /nfs/dbraw/zinc/03/55/36/564035536.db2.gz YKKRFEVSDJPTFV-UHFFFAOYSA-N 1 2 326.415 3.667 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CCc2ccccc2F)cc[nH+]1 ZINC000257284807 564054696 /nfs/dbraw/zinc/05/46/96/564054696.db2.gz PEKADXNMCBWGFD-SFHVURJKSA-N 1 2 341.430 3.583 40 0 EHABLO O=C(CCc1ccccc1F)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257299375 564055033 /nfs/dbraw/zinc/05/50/33/564055033.db2.gz RPTRHFQOOGNOOI-IBGZPJMESA-N 1 2 349.409 3.739 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc[nH+]1 ZINC000257304098 564055121 /nfs/dbraw/zinc/05/51/21/564055121.db2.gz SKBMHEXGWKPYIY-QGZVFWFLSA-N 1 2 327.403 3.559 40 0 EHABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257330290 564055556 /nfs/dbraw/zinc/05/55/56/564055556.db2.gz XNSACYACBAPAFY-QGZVFWFLSA-N 1 2 341.430 3.601 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000328999428 564071449 /nfs/dbraw/zinc/07/14/49/564071449.db2.gz JXCTWSLHJJCGIB-SECBINFHSA-N 1 2 336.361 3.569 40 0 EHABLO CC(C)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329041900 564071819 /nfs/dbraw/zinc/07/18/19/564071819.db2.gz SKPUYYBXCVZZAJ-UHFFFAOYSA-N 1 2 347.260 3.524 40 0 EHABLO CNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329069450 564072140 /nfs/dbraw/zinc/07/21/40/564072140.db2.gz YYDHIEQLRZNOJR-UHFFFAOYSA-N 1 2 344.340 3.792 40 0 EHABLO Fc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)c1 ZINC000096296194 564146545 /nfs/dbraw/zinc/14/65/45/564146545.db2.gz XXHHQQILEOMWFM-SFHVURJKSA-N 1 2 329.419 3.922 40 0 biogenic,in-vitro EHABLO Fc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)c1 ZINC000096296194 564146546 /nfs/dbraw/zinc/14/65/46/564146546.db2.gz XXHHQQILEOMWFM-SFHVURJKSA-N 1 2 329.419 3.922 40 0 biogenic,in-vitro EHABLO C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C1 ZINC000019496475 202008260 /nfs/dbraw/zinc/00/82/60/202008260.db2.gz MDMGJFZODPXRLS-INIZCTEOSA-N 1 2 334.423 3.535 40 0 EHABLO CCCn1nc(C)c(-c2c[nH+]cn2CCn2nc(C)c(C)c2C)c1C ZINC000019654642 202015189 /nfs/dbraw/zinc/01/51/89/202015189.db2.gz JQSASXHEXMSPQF-UHFFFAOYSA-N 1 2 340.475 3.595 40 0 EHABLO Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C[NH+]1CCCCC1 ZINC000019690853 202016346 /nfs/dbraw/zinc/01/63/46/202016346.db2.gz WDOOSDNCIQQEMX-CYBMUJFWSA-N 1 2 340.254 3.818 40 0 EHABLO COc1ccc(-n2ncc3c2nc[nH+]c3N[C@@H](C)c2ccccc2)cc1 ZINC000035681993 202308745 /nfs/dbraw/zinc/30/87/45/202308745.db2.gz WAFAZJSBKYEBJS-AWEZNQCLSA-N 1 2 345.406 3.997 40 0 EHABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2)[nH+]1 ZINC000257211720 244152215 /nfs/dbraw/zinc/15/22/15/244152215.db2.gz CACKPNLNGFCZCP-IBGZPJMESA-N 1 2 337.467 3.775 40 0 EHABLO Cc1cc(Oc2ccccc2)nc([C@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072384438 203210627 /nfs/dbraw/zinc/21/06/27/203210627.db2.gz NTVLGFNEQMZTMD-GOSISDBHSA-N 1 2 349.438 3.648 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3ncccc3c2)cc[nH+]1 ZINC000257268206 244368180 /nfs/dbraw/zinc/36/81/80/244368180.db2.gz MKRUWKOTPDKKEB-LJQANCHMSA-N 1 2 346.434 3.673 40 0 EHABLO COc1cccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)c1 ZINC000226255198 205121787 /nfs/dbraw/zinc/12/17/87/205121787.db2.gz GESSDHUCAWWZIH-CQSZACIVSA-N 1 2 339.439 3.909 40 0 EHABLO COc1cccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)c1 ZINC000226255198 205121791 /nfs/dbraw/zinc/12/17/91/205121791.db2.gz GESSDHUCAWWZIH-CQSZACIVSA-N 1 2 339.439 3.909 40 0 EHABLO CCCCNc1cc(Nc2ccc(Br)cc2)[nH+]c(N)n1 ZINC000001696423 563404236 /nfs/dbraw/zinc/40/42/36/563404236.db2.gz NBYSGCVETVJFJN-UHFFFAOYSA-N 1 2 336.237 3.777 40 0 EHABLO CCCCNc1cc(Nc2ccc(Br)cc2)nc(N)[nH+]1 ZINC000001696423 563404240 /nfs/dbraw/zinc/40/42/40/563404240.db2.gz NBYSGCVETVJFJN-UHFFFAOYSA-N 1 2 336.237 3.777 40 0 EHABLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1)c1ccco1 ZINC000012088115 563653124 /nfs/dbraw/zinc/65/31/24/563653124.db2.gz UXMYOTJFPQCARA-HNNXBMFYSA-N 1 2 346.390 3.747 40 0 EHABLO c1cc2n(c1)[C@H](COCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000247973553 564052897 /nfs/dbraw/zinc/05/28/97/564052897.db2.gz UFUBLIUHJQKJCI-IBGZPJMESA-N 1 2 339.464 3.718 40 0 EHABLO c1cc2n(c1)[C@H](COCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000247973553 564052898 /nfs/dbraw/zinc/05/28/98/564052898.db2.gz UFUBLIUHJQKJCI-IBGZPJMESA-N 1 2 339.464 3.718 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH+]1 ZINC000257312132 564055270 /nfs/dbraw/zinc/05/52/70/564055270.db2.gz UMPUOGSGYYYFNO-FQEVSTJZSA-N 1 2 347.462 3.830 40 0 EHABLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ncoc1-c1ccc(F)cc1 ZINC000019350041 202005883 /nfs/dbraw/zinc/00/58/83/202005883.db2.gz RJNJSFOXIQBDKV-UHFFFAOYSA-N 1 2 348.337 3.919 40 0 EHABLO C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019496305 202008576 /nfs/dbraw/zinc/00/85/76/202008576.db2.gz OZRSUPPEDHZIPZ-INIZCTEOSA-N 1 2 334.423 3.678 40 0 EHABLO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022522838 202086193 /nfs/dbraw/zinc/08/61/93/202086193.db2.gz DIBUYMOHQCSLBZ-BJMVGYQFSA-N 1 2 337.810 3.855 40 0 EHABLO O=c1c2ccccc2nc(C[NH+]2CCCCC2)n1-c1ccccc1F ZINC000013633689 211595197 /nfs/dbraw/zinc/59/51/97/211595197.db2.gz KTXWQDCBZFZSNC-UHFFFAOYSA-N 1 2 337.398 3.511 40 0 EHABLO Cc1[nH]c2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2[nH+]1 ZINC000005401107 563531496 /nfs/dbraw/zinc/53/14/96/563531496.db2.gz OTXODFJLJBPVIF-UHFFFAOYSA-N 1 2 327.343 3.825 40 0 EHABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(OC)cc3)[nH+]2)cc1 ZINC000049468078 563930939 /nfs/dbraw/zinc/93/09/39/563930939.db2.gz FSZNZBAFXJMZKI-UHFFFAOYSA-N 1 2 336.395 3.877 40 0 EHABLO CCOc1ccc(-c2nc(Nc3ccc(OC)cc3)cc(N)[nH+]2)cc1 ZINC000049468078 563930941 /nfs/dbraw/zinc/93/09/41/563930941.db2.gz FSZNZBAFXJMZKI-UHFFFAOYSA-N 1 2 336.395 3.877 40 0 EHABLO CCSc1nc(Nc2ccc(Br)cc2)cc(N)[nH+]1 ZINC000049467495 563930951 /nfs/dbraw/zinc/93/09/51/563930951.db2.gz CPUAPOAZTAFGEA-UHFFFAOYSA-N 1 2 325.235 3.677 40 0 EHABLO CCSc1nc(N)cc(Nc2ccc(Br)cc2)[nH+]1 ZINC000049467495 563930952 /nfs/dbraw/zinc/93/09/52/563930952.db2.gz CPUAPOAZTAFGEA-UHFFFAOYSA-N 1 2 325.235 3.677 40 0 EHABLO O=S(=O)(Cc1ccccc1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000074931616 563967080 /nfs/dbraw/zinc/96/70/80/563967080.db2.gz LPPMDBUISFQBAD-UHFFFAOYSA-N 1 2 330.453 3.619 40 0 EHABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cccs2)[nH+]1 ZINC000585182436 563975039 /nfs/dbraw/zinc/97/50/39/563975039.db2.gz VCNGXTZUVSILJB-INIZCTEOSA-N 1 2 343.496 3.837 40 0 EHABLO Fc1ccccc1CSCCCNC(=S)Nc1cc[nH+]cc1 ZINC000225613820 564048442 /nfs/dbraw/zinc/04/84/42/564048442.db2.gz ZWBRSVSOJLTJFQ-UHFFFAOYSA-N 1 2 335.473 3.831 40 0 EHABLO COc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](c2cnc(C)cn2)C1 ZINC000257336351 564055690 /nfs/dbraw/zinc/05/56/90/564055690.db2.gz YOAWKBUTSUPFSP-OAQYLSRUSA-N 1 2 349.434 3.520 40 0 EHABLO COc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2cnc(C)cn2)C1 ZINC000257336351 564055691 /nfs/dbraw/zinc/05/56/91/564055691.db2.gz YOAWKBUTSUPFSP-OAQYLSRUSA-N 1 2 349.434 3.520 40 0 EHABLO Clc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1Cl ZINC000329069676 564072144 /nfs/dbraw/zinc/07/21/44/564072144.db2.gz YZEBTYBLYLIEOV-UHFFFAOYSA-N 1 2 335.238 3.823 40 0 EHABLO Cc1c(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cccc1C(F)(F)F ZINC000329070936 564072151 /nfs/dbraw/zinc/07/21/51/564072151.db2.gz ZLPFYDCCMVXGIB-UHFFFAOYSA-N 1 2 348.372 3.843 40 0 EHABLO Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3c[nH+]c[nH]3)cs2)nc1 ZINC000257290399 564134840 /nfs/dbraw/zinc/13/48/40/564134840.db2.gz QCUYPAUDCIXGON-HNNXBMFYSA-N 1 2 340.456 3.650 40 0 EHABLO Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3c[nH]c[nH+]3)cs2)nc1 ZINC000257290399 564134841 /nfs/dbraw/zinc/13/48/41/564134841.db2.gz QCUYPAUDCIXGON-HNNXBMFYSA-N 1 2 340.456 3.650 40 0 EHABLO CC(C)c1nc2c(c(N3CCCC3)n1)CC[N@H+](Cc1ccsc1)C2 ZINC000019453659 202008180 /nfs/dbraw/zinc/00/81/80/202008180.db2.gz ACGUSZSEYMVPAG-UHFFFAOYSA-N 1 2 342.512 3.820 40 0 EHABLO CC(C)c1nc2c(c(N3CCCC3)n1)CC[N@@H+](Cc1ccsc1)C2 ZINC000019453659 202008183 /nfs/dbraw/zinc/00/81/83/202008183.db2.gz ACGUSZSEYMVPAG-UHFFFAOYSA-N 1 2 342.512 3.820 40 0 EHABLO COc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)c1 ZINC000072322095 202364219 /nfs/dbraw/zinc/36/42/19/202364219.db2.gz JJQCRMGSQHSIPD-IBGZPJMESA-N 1 2 341.455 3.791 40 0 biogenic,in-vitro EHABLO COc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)c1 ZINC000072322095 202364222 /nfs/dbraw/zinc/36/42/22/202364222.db2.gz JJQCRMGSQHSIPD-IBGZPJMESA-N 1 2 341.455 3.791 40 0 biogenic,in-vitro EHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072379207 203210690 /nfs/dbraw/zinc/21/06/90/203210690.db2.gz CFALJNHUHKWYDC-INIZCTEOSA-N 1 2 334.427 3.522 40 0 EHABLO CCOc1ccc2[nH+]c(NCCNC(=O)C(C)(C)C)c(C)cc2c1 ZINC000019519954 212036698 /nfs/dbraw/zinc/03/66/98/212036698.db2.gz LGIHDKVHFAHDNR-UHFFFAOYSA-N 1 2 329.444 3.516 40 0 EHABLO COc1cccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)c1 ZINC000226255178 205121197 /nfs/dbraw/zinc/12/11/97/205121197.db2.gz LJMRBNKMUATLNM-UHFFFAOYSA-N 1 2 325.412 3.520 40 0 EHABLO COc1cccc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)c1 ZINC000226255169 205122300 /nfs/dbraw/zinc/12/23/00/205122300.db2.gz GUDNWAAUTFHUHH-UHFFFAOYSA-N 1 2 339.439 3.766 40 0 EHABLO CC(C)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328958958 257910917 /nfs/dbraw/zinc/91/09/17/257910917.db2.gz ARHOCLWCDVTFBP-UHFFFAOYSA-N 1 2 336.414 3.559 40 0 EHABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)CC2CCCC2)c1 ZINC000257255862 536913284 /nfs/dbraw/zinc/91/32/84/536913284.db2.gz KJEZJQHFBYSHHT-GOSISDBHSA-N 1 2 339.439 3.556 40 0 EHABLO CC(C)Oc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044932267 563928387 /nfs/dbraw/zinc/92/83/87/563928387.db2.gz CJXMYEBQLFSNLH-UHFFFAOYSA-N 1 2 349.434 3.649 40 0 EHABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096078137 563979108 /nfs/dbraw/zinc/97/91/08/563979108.db2.gz ZUOLUFGXXLAPCM-QGZVFWFLSA-N 1 2 349.450 3.881 40 0 EHABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096078137 563979109 /nfs/dbraw/zinc/97/91/09/563979109.db2.gz ZUOLUFGXXLAPCM-QGZVFWFLSA-N 1 2 349.450 3.881 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)c2c(C)onc2C(C)C)cc[nH+]1 ZINC000257293230 564054899 /nfs/dbraw/zinc/05/48/99/564054899.db2.gz QOPZYTHTOAEADL-CQSZACIVSA-N 1 2 328.416 3.520 40 0 EHABLO Cc1cc(N2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)nc[nH+]1 ZINC000257293846 564054921 /nfs/dbraw/zinc/05/49/21/564054921.db2.gz QRKJCHLROKUCIC-QGZVFWFLSA-N 1 2 338.386 3.844 40 0 EHABLO Cc1cccc(Nc2cc([C@H]3CCC[N@H+]3Cc3nccn3C)ccn2)n1 ZINC000257308348 564055175 /nfs/dbraw/zinc/05/51/75/564055175.db2.gz TWKKVDQYWCDXAZ-QGZVFWFLSA-N 1 2 348.454 3.599 40 0 EHABLO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+]3Cc3nccn3C)ccn2)n1 ZINC000257308348 564055176 /nfs/dbraw/zinc/05/51/76/564055176.db2.gz TWKKVDQYWCDXAZ-QGZVFWFLSA-N 1 2 348.454 3.599 40 0 EHABLO CC(C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329039182 564071802 /nfs/dbraw/zinc/07/18/02/564071802.db2.gz RXCJIAXDQRKERK-UHFFFAOYSA-N 1 2 334.370 3.941 40 0 EHABLO Cc1cc(-c2csc(NC(=O)CCCn3cc[nH+]c3)n2)ccc1F ZINC000019570840 202012633 /nfs/dbraw/zinc/01/26/33/202012633.db2.gz OMZXWMHOCKQCAB-UHFFFAOYSA-N 1 2 344.415 3.873 40 0 EHABLO c1coc(C[N@@H+]2Cc3cccn3[C@H](CCOCc3cccnc3)C2)c1 ZINC000253588824 244028676 /nfs/dbraw/zinc/02/86/76/244028676.db2.gz UWHLOGDAYGPMKD-LJQANCHMSA-N 1 2 337.423 3.640 40 0 EHABLO c1coc(C[N@H+]2Cc3cccn3[C@H](CCOCc3cccnc3)C2)c1 ZINC000253588824 244028680 /nfs/dbraw/zinc/02/86/80/244028680.db2.gz UWHLOGDAYGPMKD-LJQANCHMSA-N 1 2 337.423 3.640 40 0 EHABLO O=C(CCc1cccs1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257237607 244231550 /nfs/dbraw/zinc/23/15/50/244231550.db2.gz HHGMIEXPGUAGMK-QGZVFWFLSA-N 1 2 337.448 3.661 40 0 EHABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccccc2F)CC1 ZINC000226254682 205121983 /nfs/dbraw/zinc/12/19/83/205121983.db2.gz WFJNUFDLTITFRN-UHFFFAOYSA-N 1 2 327.403 3.897 40 0 EHABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)COc1ccccc1 ZINC000226253272 205122358 /nfs/dbraw/zinc/12/23/58/205122358.db2.gz YQTCHURKTZBSIW-OAHLLOKOSA-N 1 2 339.439 3.665 40 0 EHABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)COc1ccccc1 ZINC000226253272 205122363 /nfs/dbraw/zinc/12/23/63/205122363.db2.gz YQTCHURKTZBSIW-OAHLLOKOSA-N 1 2 339.439 3.665 40 0 EHABLO COc1ccccc1NC(=O)COc1cc(C)[nH+]c2c(C)cccc12 ZINC000227149056 537083775 /nfs/dbraw/zinc/08/37/75/537083775.db2.gz IQBVJDKGKJLZHW-UHFFFAOYSA-N 1 2 336.391 3.878 40 0 EHABLO O=C(C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000034981407 563365518 /nfs/dbraw/zinc/36/55/18/563365518.db2.gz NLGVNYDLBCDABV-UHFFFAOYSA-N 1 2 330.225 3.690 40 0 EHABLO O=C(C[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000034981407 563365521 /nfs/dbraw/zinc/36/55/21/563365521.db2.gz NLGVNYDLBCDABV-UHFFFAOYSA-N 1 2 330.225 3.690 40 0 EHABLO Cc1c(F)cccc1C(=O)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111101 563971727 /nfs/dbraw/zinc/97/17/27/563971727.db2.gz DINNGKFNLFABFE-UHFFFAOYSA-N 1 2 349.409 3.696 40 0 EHABLO Cc1cc(F)ccc1S(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000096659630 563981062 /nfs/dbraw/zinc/98/10/62/563981062.db2.gz DFQQNVYQPYLEHE-UHFFFAOYSA-N 1 2 348.443 3.925 40 0 EHABLO COc1cc(C)c2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)CCO3 ZINC000057719018 564035126 /nfs/dbraw/zinc/03/51/26/564035126.db2.gz WTIIAJROUFUTMF-UHFFFAOYSA-N 1 2 334.419 3.946 40 0 EHABLO COc1cc(C)c2nc3c(cc2c1)C[N@H+](Cc1ccccc1)CCO3 ZINC000057719018 564035127 /nfs/dbraw/zinc/03/51/27/564035127.db2.gz WTIIAJROUFUTMF-UHFFFAOYSA-N 1 2 334.419 3.946 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257304925 564055148 /nfs/dbraw/zinc/05/51/48/564055148.db2.gz SNRFIWLWUYIVIU-QGZVFWFLSA-N 1 2 337.402 3.651 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257304925 564055149 /nfs/dbraw/zinc/05/51/49/564055149.db2.gz SNRFIWLWUYIVIU-QGZVFWFLSA-N 1 2 337.402 3.651 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH+]1 ZINC000257310316 564055225 /nfs/dbraw/zinc/05/52/25/564055225.db2.gz UEPWKKYHLMQMAJ-INIZCTEOSA-N 1 2 336.439 3.836 40 0 EHABLO CC(C)(C)C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000273572472 1027500331 /nfs/dbraw/zinc/50/03/31/1027500331.db2.gz JFYXOGIUPNWFMT-VXGBXAGGSA-N 1 2 346.397 3.666 40 0 EHABLO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1cccc(C)c1)C2O ZINC000019326251 212017255 /nfs/dbraw/zinc/01/72/55/212017255.db2.gz LRRDSIIRTQGRJE-UHFFFAOYSA-N 1 2 328.500 3.572 40 0 EHABLO COc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000226255213 205122122 /nfs/dbraw/zinc/12/21/22/205122122.db2.gz KOYMKPKZQIJYDZ-AWEZNQCLSA-N 1 2 339.439 3.909 40 0 EHABLO COc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1 ZINC000226255213 205122125 /nfs/dbraw/zinc/12/21/25/205122125.db2.gz KOYMKPKZQIJYDZ-AWEZNQCLSA-N 1 2 339.439 3.909 40 0 EHABLO C/C=C1\C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC(=O)N(C)C ZINC000001644750 563398866 /nfs/dbraw/zinc/39/88/66/563398866.db2.gz LZJIXZMRBQIFTH-LXKKRYNASA-N 1 2 337.467 3.512 40 0 EHABLO C/C=C1\C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC(=O)N(C)C ZINC000001644750 563398867 /nfs/dbraw/zinc/39/88/67/563398867.db2.gz LZJIXZMRBQIFTH-LXKKRYNASA-N 1 2 337.467 3.512 40 0 EHABLO CC1CC[NH+]([C@@H](c2nnnn2C(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000004847726 563513487 /nfs/dbraw/zinc/51/34/87/563513487.db2.gz QDZISVBHZUKWJV-MRXNPFEDSA-N 1 2 347.894 3.903 40 0 EHABLO C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C1 ZINC000012088112 563653194 /nfs/dbraw/zinc/65/31/94/563653194.db2.gz CXOXRZZLVKHJRX-IRXDYDNUSA-N 1 2 348.450 3.781 40 0 EHABLO CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060319 563978908 /nfs/dbraw/zinc/97/89/08/563978908.db2.gz YMFODCNHTFSMGH-QGZVFWFLSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060319 563978909 /nfs/dbraw/zinc/97/89/09/563978909.db2.gz YMFODCNHTFSMGH-QGZVFWFLSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060319 563978910 /nfs/dbraw/zinc/97/89/10/563978910.db2.gz YMFODCNHTFSMGH-QGZVFWFLSA-N 1 2 343.446 3.568 40 0 EHABLO Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218807 563985683 /nfs/dbraw/zinc/98/56/83/563985683.db2.gz IUIDIKRYKGKVAQ-IBGZPJMESA-N 1 2 335.451 3.968 40 0 EHABLO COc1cccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000000808014 563999273 /nfs/dbraw/zinc/99/92/73/563999273.db2.gz OLDPNKGSBPLIDB-OAHLLOKOSA-N 1 2 340.423 3.608 40 0 EHABLO CCCCc1[nH+]c2ccccc2n1C[C@@H](O)CO[C@H]1CC=CCC1 ZINC000004945744 564005559 /nfs/dbraw/zinc/00/55/59/564005559.db2.gz KCHIWIJFVOJWFI-SJORKVTESA-N 1 2 328.456 3.865 40 0 EHABLO CCNc1cc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)nc(C)n1 ZINC000257281092 564054633 /nfs/dbraw/zinc/05/46/33/564054633.db2.gz ONONXQZGYDHYFJ-MRXNPFEDSA-N 1 2 331.851 3.602 40 0 EHABLO CCNc1cc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)nc(C)n1 ZINC000257281092 564054634 /nfs/dbraw/zinc/05/46/34/564054634.db2.gz ONONXQZGYDHYFJ-MRXNPFEDSA-N 1 2 331.851 3.602 40 0 EHABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)cc[nH+]1 ZINC000257297108 564054976 /nfs/dbraw/zinc/05/49/76/564054976.db2.gz RFWMLVMIQRUJMF-OAHLLOKOSA-N 1 2 329.469 3.524 40 0 EHABLO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257332808 564055620 /nfs/dbraw/zinc/05/56/20/564055620.db2.gz XYSNICOGBIXMLG-MRXNPFEDSA-N 1 2 339.468 3.584 40 0 EHABLO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257332808 564055621 /nfs/dbraw/zinc/05/56/21/564055621.db2.gz XYSNICOGBIXMLG-MRXNPFEDSA-N 1 2 339.468 3.584 40 0 EHABLO c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](c4cnccn4)C3)cc2)cc1 ZINC000257334658 564055634 /nfs/dbraw/zinc/05/56/34/564055634.db2.gz YGWKPAIELLKEIG-OAQYLSRUSA-N 1 2 331.419 3.717 40 0 EHABLO c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](c4cnccn4)C3)cc2)cc1 ZINC000257334658 564055635 /nfs/dbraw/zinc/05/56/35/564055635.db2.gz YGWKPAIELLKEIG-OAQYLSRUSA-N 1 2 331.419 3.717 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000329066575 564072133 /nfs/dbraw/zinc/07/21/33/564072133.db2.gz YBGCPJXJPZVNMP-AWEZNQCLSA-N 1 2 334.423 3.647 40 0 EHABLO CC[C@H](C)Nc1nc(NCc2ccc(C)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329072134 564072182 /nfs/dbraw/zinc/07/21/82/564072182.db2.gz ZVDKANTWLLHZPK-INIZCTEOSA-N 1 2 347.466 3.513 40 0 EHABLO CC(C)c1ncc(C[N@@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cn1 ZINC000019453926 202008505 /nfs/dbraw/zinc/00/85/05/202008505.db2.gz FDESZEJBJUSXMR-SFHVURJKSA-N 1 2 343.446 3.920 40 0 EHABLO CC(C)c1ncc(C[N@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cn1 ZINC000019453926 202008508 /nfs/dbraw/zinc/00/85/08/202008508.db2.gz FDESZEJBJUSXMR-SFHVURJKSA-N 1 2 343.446 3.920 40 0 EHABLO CC[N@H+](CCCNC(=S)Nc1ncccc1C)c1ccc(C)cc1 ZINC000225735063 242011009 /nfs/dbraw/zinc/01/10/09/242011009.db2.gz PQILFOPNQQNXAS-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO CC[N@@H+](CCCNC(=S)Nc1ncccc1C)c1ccc(C)cc1 ZINC000225735063 242011014 /nfs/dbraw/zinc/01/10/14/242011014.db2.gz PQILFOPNQQNXAS-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO Cc1cn2c(cccc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000257213228 244156721 /nfs/dbraw/zinc/15/67/21/244156721.db2.gz CGRDBCKDLOWNOO-QGZVFWFLSA-N 1 2 337.398 3.688 40 0 EHABLO CCn1cc[nH+]c1CN1CCC[C@@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384468 203211344 /nfs/dbraw/zinc/21/13/44/203211344.db2.gz DEMRWMCJNCDDRY-GOSISDBHSA-N 1 2 349.438 3.822 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329012062 257905977 /nfs/dbraw/zinc/90/59/77/257905977.db2.gz MIFBGRBBXYACFU-VIFPVBQESA-N 1 2 336.361 3.569 40 0 EHABLO Clc1ccc(-c2nc(N3CCCC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221817 563656163 /nfs/dbraw/zinc/65/61/63/563656163.db2.gz MVAXGWRTQMWCCV-UHFFFAOYSA-N 1 2 325.803 3.787 40 0 EHABLO CC(C)Oc1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044882687 563927271 /nfs/dbraw/zinc/92/72/71/563927271.db2.gz JQVJMOQJVBAMCN-UHFFFAOYSA-N 1 2 349.434 3.649 40 0 EHABLO Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000076073147 563937081 /nfs/dbraw/zinc/93/70/81/563937081.db2.gz BUTHTEYUQDNBSP-TZMCWYRMSA-N 1 2 332.473 3.738 40 0 EHABLO Fc1cc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)ccc1Cl ZINC000257315230 564055296 /nfs/dbraw/zinc/05/52/96/564055296.db2.gz VALFYMUOXWVSBV-MRXNPFEDSA-N 1 2 346.833 3.708 40 0 EHABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)c1 ZINC000095533578 564141669 /nfs/dbraw/zinc/14/16/69/564141669.db2.gz OUSGTDIOKLPPCS-AWEZNQCLSA-N 1 2 348.328 3.547 40 0 EHABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000067801076 1030921926 /nfs/dbraw/zinc/92/19/26/1030921926.db2.gz UVFIOPGFJKRGQF-UHFFFAOYSA-N 1 2 344.377 3.593 40 0 EHABLO Cc1sc2c(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)[nH+]c(C)n2c1C ZINC000019561771 202011975 /nfs/dbraw/zinc/01/19/75/202011975.db2.gz QNQTYJPXKRIWIC-BONVTDFDSA-N 1 2 331.485 3.683 40 0 EHABLO Fc1cccc(OC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000019658787 202014564 /nfs/dbraw/zinc/01/45/64/202014564.db2.gz AJSPTCNBQXUMHE-UHFFFAOYSA-N 1 2 325.387 3.745 40 0 EHABLO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020492635 202045859 /nfs/dbraw/zinc/04/58/59/202045859.db2.gz MHEAZHMZAYCPJI-INIZCTEOSA-N 1 2 349.434 3.518 40 0 EHABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3c[nH]cn3)ccn2)n1 ZINC000257227244 244204749 /nfs/dbraw/zinc/20/47/49/244204749.db2.gz FOHDQSFBTNFOOZ-KRWDZBQOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+]3Cc3c[nH]cn3)ccn2)n1 ZINC000257227244 244204753 /nfs/dbraw/zinc/20/47/53/244204753.db2.gz FOHDQSFBTNFOOZ-KRWDZBQOSA-N 1 2 334.427 3.589 40 0 EHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378946 203211118 /nfs/dbraw/zinc/21/11/18/203211118.db2.gz SPPOLCBUFGPSSI-KRWDZBQOSA-N 1 2 338.455 3.683 40 0 EHABLO c1csc(-c2nnc([C@@H]3CCCC[N@H+]3Cc3cccnc3)o2)c1 ZINC000072390134 203212888 /nfs/dbraw/zinc/21/28/88/203212888.db2.gz BTFGDWYEXPSGOF-AWEZNQCLSA-N 1 2 326.425 3.920 40 0 EHABLO c1csc(-c2nnc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)o2)c1 ZINC000072390134 203212892 /nfs/dbraw/zinc/21/28/92/203212892.db2.gz BTFGDWYEXPSGOF-AWEZNQCLSA-N 1 2 326.425 3.920 40 0 EHABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)COc2ccccc2)CC1 ZINC000226253296 205122246 /nfs/dbraw/zinc/12/22/46/205122246.db2.gz UQISXWYJAUTMKE-UHFFFAOYSA-N 1 2 339.439 3.523 40 0 EHABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)CC1CCCC1 ZINC000257210241 537105353 /nfs/dbraw/zinc/10/53/53/537105353.db2.gz BTTLOJHXUAEXTF-KRWDZBQOSA-N 1 2 339.439 3.556 40 0 EHABLO CC[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000012116816 563653965 /nfs/dbraw/zinc/65/39/65/563653965.db2.gz DUBHTMWMWYRTBD-GOSISDBHSA-N 1 2 336.439 3.854 40 0 EHABLO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000012116816 563653966 /nfs/dbraw/zinc/65/39/66/563653966.db2.gz DUBHTMWMWYRTBD-GOSISDBHSA-N 1 2 336.439 3.854 40 0 EHABLO CCc1nc(NC(=O)COc2cc(C)[nH+]c3ccccc32)sc1C ZINC000012147283 563655118 /nfs/dbraw/zinc/65/51/18/563655118.db2.gz SNYHJGAJXKTECH-UHFFFAOYSA-N 1 2 341.436 3.888 40 0 EHABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096060316 563978862 /nfs/dbraw/zinc/97/88/62/563978862.db2.gz OMROLHUPNHHFCC-INIZCTEOSA-N 1 2 345.512 3.799 40 0 EHABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096060316 563978863 /nfs/dbraw/zinc/97/88/63/563978863.db2.gz OMROLHUPNHHFCC-INIZCTEOSA-N 1 2 345.512 3.799 40 0 EHABLO CNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212507 563984433 /nfs/dbraw/zinc/98/44/33/563984433.db2.gz YTSXVJPULKNENC-QGZVFWFLSA-N 1 2 325.412 3.987 40 0 EHABLO Cc1ccc(-c2cc3nc(C)cc(NCCCn4cc[nH+]c4)n3n2)cc1 ZINC000004902384 564005537 /nfs/dbraw/zinc/00/55/37/564005537.db2.gz SSVHCRXIHWKTIH-UHFFFAOYSA-N 1 2 346.438 3.712 40 0 EHABLO COc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1Cl ZINC000409207614 564011003 /nfs/dbraw/zinc/01/10/03/564011003.db2.gz YQOQLPIEQRNTKV-UHFFFAOYSA-N 1 2 344.842 3.920 40 0 EHABLO Cc1ccc(CC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)s1 ZINC000257292168 564054848 /nfs/dbraw/zinc/05/48/48/564054848.db2.gz QKHAWHLMWUKDDA-QGZVFWFLSA-N 1 2 337.448 3.579 40 0 EHABLO O=C(c1cc(F)ccc1F)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257315744 564055289 /nfs/dbraw/zinc/05/52/89/564055289.db2.gz VCPFTBDCQBSJQF-QGZVFWFLSA-N 1 2 339.345 3.559 40 0 EHABLO CC(C)n1cc[nH+]c1[C@H]1CN(C(=O)Cc2ccco2)Cc2ccccc21 ZINC000306136518 564062267 /nfs/dbraw/zinc/06/22/67/564062267.db2.gz PVTKZRQEYCJWNK-IBGZPJMESA-N 1 2 349.434 3.774 40 0 EHABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328970898 564071095 /nfs/dbraw/zinc/07/10/95/564071095.db2.gz DNNSNMIGJXNJMZ-KRWDZBQOSA-N 1 2 340.471 3.565 40 0 EHABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000329016851 564071550 /nfs/dbraw/zinc/07/15/50/564071550.db2.gz NIXCMEUPYZYTHE-UHFFFAOYSA-N 1 2 344.409 3.964 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329066962 564072109 /nfs/dbraw/zinc/07/21/09/564072109.db2.gz YFCJRQLAJDOQQH-JTQLQIEISA-N 1 2 332.835 3.511 40 0 EHABLO [NH3+][C@@H](c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1)c1ccc(F)cc1 ZINC000095533310 564141620 /nfs/dbraw/zinc/14/16/20/564141620.db2.gz DFWOFQRFJNEAGN-CYBMUJFWSA-N 1 2 336.292 3.678 40 0 EHABLO CC(C)(C)C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000273572467 1027500662 /nfs/dbraw/zinc/50/06/62/1027500662.db2.gz JFYXOGIUPNWFMT-NEPJUHHUSA-N 1 2 346.397 3.666 40 0 EHABLO CC(C)c1nccn1-c1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000019454509 202008165 /nfs/dbraw/zinc/00/81/65/202008165.db2.gz PLLJPDLUEYTXGN-UHFFFAOYSA-N 1 2 337.427 3.611 40 0 EHABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)CCCn2ccnc2)cc1 ZINC000019454509 202008170 /nfs/dbraw/zinc/00/81/70/202008170.db2.gz PLLJPDLUEYTXGN-UHFFFAOYSA-N 1 2 337.427 3.611 40 0 EHABLO Cc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000019933912 202026395 /nfs/dbraw/zinc/02/63/95/202026395.db2.gz MZLANSHIUVLTHK-UHFFFAOYSA-N 1 2 344.842 3.733 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000072203348 216069493 /nfs/dbraw/zinc/06/94/93/216069493.db2.gz GGYURZUZVZLUJB-CQSZACIVSA-N 1 2 339.867 3.566 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000072203348 216069495 /nfs/dbraw/zinc/06/94/95/216069495.db2.gz GGYURZUZVZLUJB-CQSZACIVSA-N 1 2 339.867 3.566 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257230481 244209982 /nfs/dbraw/zinc/20/99/82/244209982.db2.gz GCNLUCOBFDSUIE-HNNXBMFYSA-N 1 2 325.441 3.574 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257230481 244209987 /nfs/dbraw/zinc/20/99/87/244209987.db2.gz GCNLUCOBFDSUIE-HNNXBMFYSA-N 1 2 325.441 3.574 40 0 EHABLO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)nc1 ZINC000049155365 204369524 /nfs/dbraw/zinc/36/95/24/204369524.db2.gz BPROYVLVAICARM-INIZCTEOSA-N 1 2 342.349 3.747 40 0 biogenic,in-vitro EHABLO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)nc1 ZINC000049155365 204369526 /nfs/dbraw/zinc/36/95/26/204369526.db2.gz BPROYVLVAICARM-INIZCTEOSA-N 1 2 342.349 3.747 40 0 biogenic,in-vitro EHABLO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257228568 257916428 /nfs/dbraw/zinc/91/64/28/257916428.db2.gz FUIILMGEWWWQQS-OAHLLOKOSA-N 1 2 341.440 3.542 40 0 EHABLO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257228568 257916430 /nfs/dbraw/zinc/91/64/30/257916430.db2.gz FUIILMGEWWWQQS-OAHLLOKOSA-N 1 2 341.440 3.542 40 0 EHABLO Nc1ccc(C(=O)Nc2ccc(-c3[nH]c4ccc(N)cc4[nH+]3)cc2)cc1 ZINC000006025528 563557637 /nfs/dbraw/zinc/55/76/37/563557637.db2.gz CSKIDJNPIIAQCK-UHFFFAOYSA-N 1 2 343.390 3.647 40 0 EHABLO CC(C)c1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(F)cc1 ZINC000000787273 563998141 /nfs/dbraw/zinc/99/81/41/563998141.db2.gz VTZIJXZJUWFNDJ-HNNXBMFYSA-N 1 2 328.387 3.739 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3c(C)oc4c3CCCC4)C2)[nH+]1 ZINC000257293110 564054886 /nfs/dbraw/zinc/05/48/86/564054886.db2.gz QODMILZWRWPCJF-AWEZNQCLSA-N 1 2 327.428 3.518 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000257319346 564055384 /nfs/dbraw/zinc/05/53/84/564055384.db2.gz VRZFSXCUIXLUDP-OAHLLOKOSA-N 1 2 331.847 3.710 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3csc(C(C)C)c3)C2)[nH+]1 ZINC000257319968 564055413 /nfs/dbraw/zinc/05/54/13/564055413.db2.gz VUUJIULEWWIKJQ-CQSZACIVSA-N 1 2 331.485 3.933 40 0 EHABLO Fc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1F ZINC000328966695 564071024 /nfs/dbraw/zinc/07/10/24/564071024.db2.gz COHGOGHYXORMBW-UHFFFAOYSA-N 1 2 344.409 3.964 40 0 EHABLO CCNc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329052605 564071987 /nfs/dbraw/zinc/07/19/87/564071987.db2.gz VCUVZRWLZKLAKJ-UHFFFAOYSA-N 1 2 336.361 3.700 40 0 EHABLO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020485189 202045534 /nfs/dbraw/zinc/04/55/34/202045534.db2.gz UYCMDYRGFRQHIG-HXUWFJFHSA-N 1 2 349.434 3.655 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000072203349 216069072 /nfs/dbraw/zinc/06/90/72/216069072.db2.gz GGYURZUZVZLUJB-AWEZNQCLSA-N 1 2 339.867 3.566 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000072203349 216069075 /nfs/dbraw/zinc/06/90/75/216069075.db2.gz GGYURZUZVZLUJB-AWEZNQCLSA-N 1 2 339.867 3.566 40 0 EHABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)c3cccs3)C2)c2sccn12 ZINC000257266284 244361855 /nfs/dbraw/zinc/36/18/55/244361855.db2.gz MCHMHTUVUPANMS-KRWDZBQOSA-N 1 2 345.493 3.960 40 0 EHABLO C[C@H]1CCC[C@H](N2CNC(Nc3nc4ccccc4s3)=[NH+]C2)[C@H]1C ZINC000101487026 204007365 /nfs/dbraw/zinc/00/73/65/204007365.db2.gz DKVCDNJJRMBTJV-YDHLFZDLSA-N 1 2 343.500 3.709 40 0 EHABLO CC(C)(C)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000243750964 205101871 /nfs/dbraw/zinc/10/18/71/205101871.db2.gz PWTLOKUEVSXXCU-OAHLLOKOSA-N 1 2 326.444 3.945 40 0 EHABLO COc1ccc(-c2nc(N3CCC(C)CC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761972 536522549 /nfs/dbraw/zinc/52/25/49/536522549.db2.gz MAGOTAXISRTVAC-UHFFFAOYSA-N 1 2 349.438 3.779 40 0 EHABLO C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000019080710 563853588 /nfs/dbraw/zinc/85/35/88/563853588.db2.gz BGLJWWMNWRWJGN-NWDGAFQWSA-N 1 2 332.473 3.690 40 0 EHABLO Cc1ccc(C[N@@H+]2CCc3c(COCc4ccncc4)cncc3C2)o1 ZINC000096059326 563978905 /nfs/dbraw/zinc/97/89/05/563978905.db2.gz MIZNCFVRMTVXBF-UHFFFAOYSA-N 1 2 349.434 3.653 40 0 EHABLO Cc1ccc(C[N@H+]2CCc3c(COCc4ccncc4)cncc3C2)o1 ZINC000096059326 563978906 /nfs/dbraw/zinc/97/89/06/563978906.db2.gz MIZNCFVRMTVXBF-UHFFFAOYSA-N 1 2 349.434 3.653 40 0 EHABLO Cc1[nH+]cc(-c2cc([C@@H]3CCCN3C(=O)c3ccccc3)ccn2)n1C ZINC000585261158 563980698 /nfs/dbraw/zinc/98/06/98/563980698.db2.gz VIDICYIOILWFCL-IBGZPJMESA-N 1 2 346.434 3.768 40 0 EHABLO CC(C)(C)c1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533475 563984285 /nfs/dbraw/zinc/98/42/85/563984285.db2.gz MUOKEALGDNIJKT-SFHVURJKSA-N 1 2 336.439 3.729 40 0 EHABLO CCc1ccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000224482768 564042995 /nfs/dbraw/zinc/04/29/95/564042995.db2.gz RJJPSMBARLZCNG-RMKNXTFCSA-N 1 2 348.490 3.649 40 0 EHABLO CC(C)(C)C(=O)N1CCC2(Cc3[nH+]cc(-c4ccccc4)n3C2)CC1 ZINC000306135892 564062246 /nfs/dbraw/zinc/06/22/46/564062246.db2.gz PDYFMDMRJYJAFO-UHFFFAOYSA-N 1 2 337.467 3.761 40 0 EHABLO COc1cc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc(OC)c1 ZINC000328963418 564070998 /nfs/dbraw/zinc/07/09/98/564070998.db2.gz BMWYIBMCWXITMX-UHFFFAOYSA-N 1 2 342.443 3.747 40 0 EHABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000328969042 564071061 /nfs/dbraw/zinc/07/10/61/564071061.db2.gz DCDOLFFNQXZSQT-SFHVURJKSA-N 1 2 340.471 3.565 40 0 EHABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000328990367 564071359 /nfs/dbraw/zinc/07/13/59/564071359.db2.gz IOITYBDHIXZQSX-SFHVURJKSA-N 1 2 340.471 3.565 40 0 EHABLO CNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329034385 564071744 /nfs/dbraw/zinc/07/17/44/564071744.db2.gz QYVSYCQSKMJJHY-UHFFFAOYSA-N 1 2 342.349 3.952 40 0 EHABLO CNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329038665 564071786 /nfs/dbraw/zinc/07/17/86/564071786.db2.gz RUCHVTADNIMYKH-UHFFFAOYSA-N 1 2 344.340 3.792 40 0 EHABLO CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067194 564072099 /nfs/dbraw/zinc/07/20/99/564072099.db2.gz YFWVMSZMBZBWIE-UHFFFAOYSA-N 1 2 342.805 3.955 40 0 EHABLO CNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329070170 564072158 /nfs/dbraw/zinc/07/21/58/564072158.db2.gz ZEKAHBJXAUMUHB-UHFFFAOYSA-N 1 2 342.752 3.655 40 0 EHABLO CCCc1ncc(C[N@@H+](Cc2ccccc2F)C[C@H]2CCCO2)cn1 ZINC000019525701 202009860 /nfs/dbraw/zinc/00/98/60/202009860.db2.gz YVQMCQWVBPXWPA-GOSISDBHSA-N 1 2 343.446 3.749 40 0 EHABLO CCCc1ncc(C[N@H+](Cc2ccccc2F)C[C@H]2CCCO2)cn1 ZINC000019525701 202009863 /nfs/dbraw/zinc/00/98/63/202009863.db2.gz YVQMCQWVBPXWPA-GOSISDBHSA-N 1 2 343.446 3.749 40 0 EHABLO CCCn1nc(C)c(-c2c[nH+]cn2C[C@@H](C)n2nc(C)cc2C)c1C ZINC000019654626 202014998 /nfs/dbraw/zinc/01/49/98/202014998.db2.gz UXOVBJCQZNNZRZ-OAHLLOKOSA-N 1 2 340.475 3.848 40 0 EHABLO Cc1cccnc1Nc1cccc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072375525 203208952 /nfs/dbraw/zinc/20/89/52/203208952.db2.gz XZQHWFMWEHRXLH-INIZCTEOSA-N 1 2 334.427 3.589 40 0 EHABLO C[N@H+](Cc1ccccc1)Cc1ccccc1I ZINC000001870451 563415145 /nfs/dbraw/zinc/41/51/45/563415145.db2.gz YGSIDMSYORSGPB-UHFFFAOYSA-N 1 2 337.204 3.923 40 0 EHABLO C[N@@H+](Cc1ccccc1)Cc1ccccc1I ZINC000001870451 563415149 /nfs/dbraw/zinc/41/51/49/563415149.db2.gz YGSIDMSYORSGPB-UHFFFAOYSA-N 1 2 337.204 3.923 40 0 EHABLO CC(C)[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000004230356 563497976 /nfs/dbraw/zinc/49/79/76/563497976.db2.gz CQUCRFSFRMPPLR-LJQANCHMSA-N 1 2 339.487 3.934 40 0 aggregator EHABLO CC(C)[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000004230356 563497978 /nfs/dbraw/zinc/49/79/78/563497978.db2.gz CQUCRFSFRMPPLR-LJQANCHMSA-N 1 2 339.487 3.934 40 0 aggregator EHABLO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225687 563692666 /nfs/dbraw/zinc/69/26/66/563692666.db2.gz RSHRMMYCZMFBAS-SPQRHKFCSA-N 1 2 348.450 3.636 40 0 EHABLO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225687 563692667 /nfs/dbraw/zinc/69/26/67/563692667.db2.gz RSHRMMYCZMFBAS-SPQRHKFCSA-N 1 2 348.450 3.636 40 0 EHABLO CC(C)Oc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696685 563935003 /nfs/dbraw/zinc/93/50/03/563935003.db2.gz CWMOQVBRIKLYAZ-UHFFFAOYSA-N 1 2 335.407 3.590 40 0 EHABLO O=S(=O)(Cc1ccc(F)cc1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000074931618 563967095 /nfs/dbraw/zinc/96/70/95/563967095.db2.gz YFQGBYOMNXGONI-UHFFFAOYSA-N 1 2 348.443 3.758 40 0 EHABLO Cc1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1F ZINC000096659629 563981037 /nfs/dbraw/zinc/98/10/37/563981037.db2.gz CYRQSZYCPDIHAA-UHFFFAOYSA-N 1 2 348.443 3.925 40 0 EHABLO Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N(C)C ZINC000072218615 563985637 /nfs/dbraw/zinc/98/56/37/563985637.db2.gz QMJXCCYDIDVWQU-SFHVURJKSA-N 1 2 339.439 3.930 40 0 EHABLO Fc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000225453722 564046884 /nfs/dbraw/zinc/04/68/84/564046884.db2.gz CQRFFFPCSQMNIR-UHFFFAOYSA-N 1 2 344.390 3.637 40 0 EHABLO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cc[nH+]cc1 ZINC000225688948 564049394 /nfs/dbraw/zinc/04/93/94/564049394.db2.gz DQSKFPZRZMDZBP-OAHLLOKOSA-N 1 2 343.452 3.679 40 0 EHABLO Cc1cc(N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)nc[nH+]1 ZINC000257289838 564054800 /nfs/dbraw/zinc/05/48/00/564054800.db2.gz QAKFIXFQLFLJOX-KRWDZBQOSA-N 1 2 338.386 3.844 40 0 EHABLO CCc1[nH]c2ccc(NC(=O)c3n[nH]c4c3CCCCCC4)cc2[nH+]1 ZINC000257337256 564055703 /nfs/dbraw/zinc/05/57/03/564055703.db2.gz YSAZZZJKVUOBOG-UHFFFAOYSA-N 1 2 337.427 3.760 40 0 EHABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000067801023 215215503 /nfs/dbraw/zinc/21/55/03/215215503.db2.gz NCQODLXXIZCVOD-UHFFFAOYSA-N 1 2 342.842 3.968 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000072203481 216069162 /nfs/dbraw/zinc/06/91/62/216069162.db2.gz VRQJNGXOJMVRSB-LLVKDONJSA-N 1 2 345.896 3.628 40 0 EHABLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000072203481 216069164 /nfs/dbraw/zinc/06/91/64/216069164.db2.gz VRQJNGXOJMVRSB-LLVKDONJSA-N 1 2 345.896 3.628 40 0 EHABLO CCn1cc[nH+]c1CN1CCC[C@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384469 216185347 /nfs/dbraw/zinc/18/53/47/216185347.db2.gz DEMRWMCJNCDDRY-SFHVURJKSA-N 1 2 349.438 3.822 40 0 EHABLO COc1cc(CNCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000022075100 212276573 /nfs/dbraw/zinc/27/65/73/212276573.db2.gz NQDFLWGZYVDREI-UHFFFAOYSA-N 1 2 348.874 3.579 40 0 EHABLO O=C(c1ccc(Cl)cc1)[C@@H](n1cc[nH+]c1)N1CCCCCCC1=O ZINC000255188745 244045938 /nfs/dbraw/zinc/04/59/38/244045938.db2.gz LGUGSZPDUMUYKI-SFHVURJKSA-N 1 2 345.830 3.711 40 0 EHABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)CC1CCCC1 ZINC000257210242 244147725 /nfs/dbraw/zinc/14/77/25/244147725.db2.gz BTTLOJHXUAEXTF-QGZVFWFLSA-N 1 2 339.439 3.556 40 0 EHABLO Cc1cn2c(cccc2[C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000257213227 244157950 /nfs/dbraw/zinc/15/79/50/244157950.db2.gz CGRDBCKDLOWNOO-KRWDZBQOSA-N 1 2 337.398 3.688 40 0 EHABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1ccsc1 ZINC000257255763 244282288 /nfs/dbraw/zinc/28/22/88/244282288.db2.gz KISQZHWFUZRAAI-MRXNPFEDSA-N 1 2 325.437 3.710 40 0 EHABLO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3cccnc3)o2)c1F ZINC000019292735 212012753 /nfs/dbraw/zinc/01/27/53/212012753.db2.gz GGJLUJJMKWFHSG-OAHLLOKOSA-N 1 2 342.349 3.747 40 0 EHABLO Fc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3cccnc3)o2)c1F ZINC000019292735 212012756 /nfs/dbraw/zinc/01/27/56/212012756.db2.gz GGJLUJJMKWFHSG-OAHLLOKOSA-N 1 2 342.349 3.747 40 0 EHABLO CC[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000012116815 211295900 /nfs/dbraw/zinc/29/59/00/211295900.db2.gz DUBHTMWMWYRTBD-SFHVURJKSA-N 1 2 336.439 3.854 40 0 EHABLO CC[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000012116815 211295905 /nfs/dbraw/zinc/29/59/05/211295905.db2.gz DUBHTMWMWYRTBD-SFHVURJKSA-N 1 2 336.439 3.854 40 0 EHABLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1)c1ccco1 ZINC000012088114 211289297 /nfs/dbraw/zinc/28/92/97/211289297.db2.gz UXMYOTJFPQCARA-OAHLLOKOSA-N 1 2 346.390 3.747 40 0 EHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1OC ZINC000328974295 257908841 /nfs/dbraw/zinc/90/88/41/257908841.db2.gz FFJFXDPFBIHSFT-UHFFFAOYSA-N 1 2 342.443 3.747 40 0 EHABLO Cc1ccc(/C=C/C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000023379220 262502172 /nfs/dbraw/zinc/50/21/72/262502172.db2.gz XEWJZOGAWHDZMG-SEYMNPNRSA-N 1 2 346.474 3.866 40 0 EHABLO CC(C)c1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000013769449 563722259 /nfs/dbraw/zinc/72/22/59/563722259.db2.gz MZRBAPSSUHTUDC-UHFFFAOYSA-N 1 2 343.496 3.918 40 0 EHABLO Cc1ccc(CN(CCCn2cc[nH+]c2)Cc2nc3ccccc3[nH]2)o1 ZINC000043277761 563925642 /nfs/dbraw/zinc/92/56/42/563925642.db2.gz DNIWZGMFFLTKCT-UHFFFAOYSA-N 1 2 349.438 3.753 40 0 EHABLO CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060318 563978915 /nfs/dbraw/zinc/97/89/15/563978915.db2.gz YMFODCNHTFSMGH-KRWDZBQOSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060318 563978916 /nfs/dbraw/zinc/97/89/16/563978916.db2.gz YMFODCNHTFSMGH-KRWDZBQOSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060318 563978917 /nfs/dbraw/zinc/97/89/17/563978917.db2.gz YMFODCNHTFSMGH-KRWDZBQOSA-N 1 2 343.446 3.568 40 0 EHABLO Oc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000409242178 564011374 /nfs/dbraw/zinc/01/13/74/564011374.db2.gz NGZGSKHOXZNGTM-UHFFFAOYSA-N 1 2 346.883 3.539 40 0 EHABLO Cc1ccccc1CSCCCNC(=S)Nc1cc[nH+]cc1 ZINC000225602385 564048298 /nfs/dbraw/zinc/04/82/98/564048298.db2.gz TYHROVRVAKKWRH-UHFFFAOYSA-N 1 2 331.510 4.000 40 0 EHABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)cc[nH+]1 ZINC000257341718 564055758 /nfs/dbraw/zinc/05/57/58/564055758.db2.gz ZLOZKCULDZRVMO-SFHVURJKSA-N 1 2 332.407 3.649 40 0 EHABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328970899 564071083 /nfs/dbraw/zinc/07/10/83/564071083.db2.gz DNNSNMIGJXNJMZ-QGZVFWFLSA-N 1 2 340.471 3.565 40 0 EHABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329041863 564071844 /nfs/dbraw/zinc/07/18/44/564071844.db2.gz SKJXNLWTITYCKM-INIZCTEOSA-N 1 2 346.862 3.602 40 0 EHABLO Clc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329047164 564071861 /nfs/dbraw/zinc/07/18/61/564071861.db2.gz UEYGWOBGEUVGTQ-UHFFFAOYSA-N 1 2 335.238 3.823 40 0 EHABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)ccc1C(C)C ZINC000329070944 564072149 /nfs/dbraw/zinc/07/21/49/564072149.db2.gz ZLVSZBHJTVXYKF-UHFFFAOYSA-N 1 2 340.471 3.746 40 0 EHABLO Cc1cc[nH+]c(Nc2ccc(I)cc2F)c1 ZINC000228947651 564118165 /nfs/dbraw/zinc/11/81/65/564118165.db2.gz HOQZUOHURVRFCZ-UHFFFAOYSA-N 1 2 328.128 3.877 40 0 EHABLO COc1ccc(-c2nc(Nc3cccc(C)c3)cc(N)[nH+]2)cc1OC ZINC000049468135 214010025 /nfs/dbraw/zinc/01/00/25/214010025.db2.gz HWBIEANAQNVWAO-UHFFFAOYSA-N 1 2 336.395 3.795 40 0 EHABLO COc1ccc(-c2nc(N)cc(Nc3cccc(C)c3)[nH+]2)cc1OC ZINC000049468135 214010029 /nfs/dbraw/zinc/01/00/29/214010029.db2.gz HWBIEANAQNVWAO-UHFFFAOYSA-N 1 2 336.395 3.795 40 0 EHABLO C[C@H](c1nccs1)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000072203854 216069058 /nfs/dbraw/zinc/06/90/58/216069058.db2.gz SHDSHHFNMQFYBL-OLZOCXBDSA-N 1 2 325.478 3.535 40 0 EHABLO C[C@H](c1nccs1)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000072203854 216069059 /nfs/dbraw/zinc/06/90/59/216069059.db2.gz SHDSHHFNMQFYBL-OLZOCXBDSA-N 1 2 325.478 3.535 40 0 EHABLO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1ccc(C)cc1)C2O ZINC000019326248 212016570 /nfs/dbraw/zinc/01/65/70/212016570.db2.gz CYGUHCTVIAFUDD-UHFFFAOYSA-N 1 2 328.500 3.572 40 0 EHABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000004847674 210299593 /nfs/dbraw/zinc/29/95/93/210299593.db2.gz KXNRMPYFQJRVBT-KRWDZBQOSA-N 1 2 345.466 3.779 40 0 EHABLO COc1ccc(Cc2cc3cc(OC)c(OC)cc3c[nH+]2)cc1OC ZINC000013281563 563693903 /nfs/dbraw/zinc/69/39/03/563693903.db2.gz HVEDZXIDKXLHCU-UHFFFAOYSA-N 1 2 339.391 3.860 40 0 EHABLO Cc1cccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000013610589 563703627 /nfs/dbraw/zinc/70/36/27/563703627.db2.gz JMQDWPHRMADYOI-UXBLZVDNSA-N 1 2 335.451 3.858 40 0 EHABLO CCc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000076339360 563967861 /nfs/dbraw/zinc/96/78/61/563967861.db2.gz SGNTWTGKQUUSFE-INIZCTEOSA-N 1 2 333.435 3.985 40 0 EHABLO Cc1ccc(C[N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)o1 ZINC000096059036 563978802 /nfs/dbraw/zinc/97/88/02/563978802.db2.gz JTSMRYKLIGIDJO-UHFFFAOYSA-N 1 2 341.411 3.500 40 0 EHABLO Cc1ccc(C[N@H+]2CCCn3cnc(COCc4ccco4)c3C2)o1 ZINC000096059036 563978803 /nfs/dbraw/zinc/97/88/03/563978803.db2.gz JTSMRYKLIGIDJO-UHFFFAOYSA-N 1 2 341.411 3.500 40 0 EHABLO CCOC[C@@H]1C[N@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096198189 563980109 /nfs/dbraw/zinc/98/01/09/563980109.db2.gz XEAJPGUDPQSOBN-SFHVURJKSA-N 1 2 343.471 3.802 40 0 EHABLO CCOC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096198189 563980110 /nfs/dbraw/zinc/98/01/10/563980110.db2.gz XEAJPGUDPQSOBN-SFHVURJKSA-N 1 2 343.471 3.802 40 0 EHABLO Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N(C)C ZINC000072218616 563985639 /nfs/dbraw/zinc/98/56/39/563985639.db2.gz QMJXCCYDIDVWQU-GOSISDBHSA-N 1 2 339.439 3.930 40 0 EHABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)C2CCCC2)[nH+]1 ZINC000257282803 564054705 /nfs/dbraw/zinc/05/47/05/564054705.db2.gz OVJNKKSYYYWQIP-GOSISDBHSA-N 1 2 329.488 3.652 40 0 EHABLO Cc1cccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)c1 ZINC000226253368 564117277 /nfs/dbraw/zinc/11/72/77/564117277.db2.gz FPHSPKFEOWHOGV-UHFFFAOYSA-N 1 2 339.439 3.585 40 0 EHABLO CN1[C@@H](c2ccccc2)C[N@H+](C)[C@]1(c1ccccc1)c1cccnc1 ZINC000098177464 219086856 /nfs/dbraw/zinc/08/68/56/219086856.db2.gz PLRGFNNQUYLYKT-YADHBBJMSA-N 1 2 329.447 3.901 40 0 EHABLO CN1[C@@H](c2ccccc2)C[N@@H+](C)[C@]1(c1ccccc1)c1cccnc1 ZINC000098177464 219086858 /nfs/dbraw/zinc/08/68/58/219086858.db2.gz PLRGFNNQUYLYKT-YADHBBJMSA-N 1 2 329.447 3.901 40 0 EHABLO COc1ccc([C@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(=O)[C@@H]2C)cc1 ZINC000003894948 210086628 /nfs/dbraw/zinc/08/66/28/210086628.db2.gz RVYZVGKIODSCSZ-ILWKUFEGSA-N 1 2 339.435 3.931 40 0 EHABLO Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384192 216185454 /nfs/dbraw/zinc/18/54/54/216185454.db2.gz DAQOBCJGHGIQGP-KRWDZBQOSA-N 1 2 349.438 3.648 40 0 EHABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072383645 216184172 /nfs/dbraw/zinc/18/41/72/216184172.db2.gz LRPBUYDXTAMVGS-GOSISDBHSA-N 1 2 347.422 3.704 40 0 EHABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072383645 216184174 /nfs/dbraw/zinc/18/41/74/216184174.db2.gz LRPBUYDXTAMVGS-GOSISDBHSA-N 1 2 347.422 3.704 40 0 EHABLO CC[C@@H](C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000244419521 243038367 /nfs/dbraw/zinc/03/83/67/243038367.db2.gz YSTLEVCYSKEQNW-ZBFHGGJFSA-N 1 2 326.444 3.945 40 0 EHABLO Cc1cc(C)c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000019931466 212086003 /nfs/dbraw/zinc/08/60/03/212086003.db2.gz VXRGPMDZCMQNPI-UHFFFAOYSA-N 1 2 338.451 3.696 40 0 EHABLO C=Cn1ncc(C[N@@H+]2CCc3onc(-c4ccccc4F)c3C2)c1C ZINC000012191773 211316213 /nfs/dbraw/zinc/31/62/13/211316213.db2.gz NIWCWKAVWVBMBR-UHFFFAOYSA-N 1 2 338.386 3.644 40 0 EHABLO C=Cn1ncc(C[N@H+]2CCc3onc(-c4ccccc4F)c3C2)c1C ZINC000012191773 211316217 /nfs/dbraw/zinc/31/62/17/211316217.db2.gz NIWCWKAVWVBMBR-UHFFFAOYSA-N 1 2 338.386 3.644 40 0 EHABLO c1cc(-c2cnc(NCCc3c[nH]c[nH+]3)nc2-c2cccnc2)cs1 ZINC000012221836 211323616 /nfs/dbraw/zinc/32/36/16/211323616.db2.gz SZUZMEJHPGILFM-UHFFFAOYSA-N 1 2 348.435 3.645 40 0 EHABLO c1cc(-c2cnc(NCCc3c[nH+]c[nH]3)nc2-c2cccnc2)cs1 ZINC000012221836 211323620 /nfs/dbraw/zinc/32/36/20/211323620.db2.gz SZUZMEJHPGILFM-UHFFFAOYSA-N 1 2 348.435 3.645 40 0 EHABLO CCCCc1[nH+]c2ccccc2n1C[C@H](O)CO[C@H]1CC=CCC1 ZINC000004945743 210336487 /nfs/dbraw/zinc/33/64/87/210336487.db2.gz KCHIWIJFVOJWFI-IRXDYDNUSA-N 1 2 328.456 3.865 40 0 EHABLO C[n+]1c(/C=C/c2ccc(O)c3ncccc23)ccc2cccc(O)c21 ZINC000004896365 210315214 /nfs/dbraw/zinc/31/52/14/210315214.db2.gz DBPGAGUHMRMHRO-UHFFFAOYSA-O 1 2 329.379 3.794 40 0 EHABLO COc1cccc(NC(=O)COc2cc(C)[nH+]c3c(C)cccc23)c1 ZINC000227149093 537126692 /nfs/dbraw/zinc/12/66/92/537126692.db2.gz HVPSOGXTBVCBMJ-UHFFFAOYSA-N 1 2 336.391 3.878 40 0 EHABLO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3ccncc3)o2)s1 ZINC000060016729 563949566 /nfs/dbraw/zinc/94/95/66/563949566.db2.gz SKCLVXMVRUDMJK-CQSZACIVSA-N 1 2 326.425 3.839 40 0 EHABLO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3ccncc3)o2)s1 ZINC000060016729 563949568 /nfs/dbraw/zinc/94/95/68/563949568.db2.gz SKCLVXMVRUDMJK-CQSZACIVSA-N 1 2 326.425 3.839 40 0 EHABLO Cc1cn2c(cccc2[C@H]2CCCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000585182438 563975068 /nfs/dbraw/zinc/97/50/68/563975068.db2.gz VJUMXQLTAOKDDA-AWEZNQCLSA-N 1 2 325.437 3.724 40 0 EHABLO CCOC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096100441 563979254 /nfs/dbraw/zinc/97/92/54/563979254.db2.gz UEUAOIZRIKCUAL-KRWDZBQOSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096100441 563979255 /nfs/dbraw/zinc/97/92/55/563979255.db2.gz UEUAOIZRIKCUAL-KRWDZBQOSA-N 1 2 343.446 3.568 40 0 EHABLO Cc1ccsc1C(=O)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216762 563980305 /nfs/dbraw/zinc/98/03/05/563980305.db2.gz NIYGHARGBHGCAG-LJQANCHMSA-N 1 2 341.480 3.584 40 0 EHABLO CNc1[nH+]cc([C@H]2CCCN2C(=O)OCc2ccccc2)cc1C ZINC000072218976 563985760 /nfs/dbraw/zinc/98/57/60/563985760.db2.gz YAACYFZFUOQKDL-QGZVFWFLSA-N 1 2 325.412 3.905 40 0 EHABLO Cc1nc(N2CCC(C)(c3ncc(Cc4ccccc4)o3)CC2)cc[nH+]1 ZINC000257342609 564055780 /nfs/dbraw/zinc/05/57/80/564055780.db2.gz ZPKWCIDRZZQQLZ-UHFFFAOYSA-N 1 2 348.450 3.922 40 0 EHABLO CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccc2)[nH+]1 ZINC000329009080 564071453 /nfs/dbraw/zinc/07/14/53/564071453.db2.gz LVLYGUPDQSOWOQ-UHFFFAOYSA-N 1 2 344.340 3.580 40 0 EHABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329022100 564071591 /nfs/dbraw/zinc/07/15/91/564071591.db2.gz OKCZYEVSZKCKDH-KRWDZBQOSA-N 1 2 344.434 3.974 40 0 EHABLO Cc1ccccc1OCC(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000226253316 564117246 /nfs/dbraw/zinc/11/72/46/564117246.db2.gz PQEBETXATZKXRN-UHFFFAOYSA-N 1 2 339.439 3.585 40 0 EHABLO COc1ccc(-c2nc(N)cc(Nc3ccc(C)cc3)[nH+]2)cc1OC ZINC000049468139 214010772 /nfs/dbraw/zinc/01/07/72/214010772.db2.gz QOCREPYZIQOAMM-UHFFFAOYSA-N 1 2 336.395 3.795 40 0 EHABLO COc1ccc(-c2nc(Nc3ccc(C)cc3)cc(N)[nH+]2)cc1OC ZINC000049468139 214010776 /nfs/dbraw/zinc/01/07/76/214010776.db2.gz QOCREPYZIQOAMM-UHFFFAOYSA-N 1 2 336.395 3.795 40 0 EHABLO CC(C)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000068369656 215302891 /nfs/dbraw/zinc/30/28/91/215302891.db2.gz MYOBRNMVYDTTFV-UHFFFAOYSA-N 1 2 338.451 3.895 40 0 EHABLO CC[C@H](C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000244419520 243037771 /nfs/dbraw/zinc/03/77/71/243037771.db2.gz YSTLEVCYSKEQNW-HOCLYGCPSA-N 1 2 326.444 3.945 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH+]1 ZINC000257205206 244129566 /nfs/dbraw/zinc/12/95/66/244129566.db2.gz AYBVVROLCJCOQW-LJQANCHMSA-N 1 2 333.435 3.820 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH+]1 ZINC000257205205 244130461 /nfs/dbraw/zinc/13/04/61/244130461.db2.gz AYBVVROLCJCOQW-IBGZPJMESA-N 1 2 333.435 3.820 40 0 EHABLO CC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020098345 212100703 /nfs/dbraw/zinc/10/07/03/212100703.db2.gz XQWZSSFSAMHRFE-UHFFFAOYSA-N 1 2 349.482 3.673 40 0 EHABLO CC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020098345 212100706 /nfs/dbraw/zinc/10/07/06/212100706.db2.gz XQWZSSFSAMHRFE-UHFFFAOYSA-N 1 2 349.482 3.673 40 0 EHABLO C[C@H](c1cc(=O)n2nc(-c3cccc(Cl)c3)cc2[nH]1)n1cc[nH+]c1 ZINC000019458219 212029693 /nfs/dbraw/zinc/02/96/93/212029693.db2.gz ILDWGEBKBIEMGU-LLVKDONJSA-N 1 2 339.786 3.561 40 0 EHABLO O=C1CC[NH2+][C@H](c2c(OCc3ccccc3)ccc3ccccc32)N1 ZINC000408738817 257889963 /nfs/dbraw/zinc/88/99/63/257889963.db2.gz VVTRZADFHNUWRW-NRFANRHFSA-N 1 2 332.403 3.527 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080592 563979122 /nfs/dbraw/zinc/97/91/22/563979122.db2.gz SQSDDYRBICHXBR-CRAIPNDOSA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080592 563979123 /nfs/dbraw/zinc/97/91/23/563979123.db2.gz SQSDDYRBICHXBR-CRAIPNDOSA-N 1 2 341.842 3.688 40 0 EHABLO Cc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000225452237 564046911 /nfs/dbraw/zinc/04/69/11/564046911.db2.gz IYVYGSMEHPKNKW-UHFFFAOYSA-N 1 2 336.464 3.976 40 0 EHABLO c1cc2n(c1)[C@@H](COCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000247973556 564052911 /nfs/dbraw/zinc/05/29/11/564052911.db2.gz UFUBLIUHJQKJCI-LJQANCHMSA-N 1 2 339.464 3.718 40 0 EHABLO c1cc2n(c1)[C@@H](COCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000247973556 564052912 /nfs/dbraw/zinc/05/29/12/564052912.db2.gz UFUBLIUHJQKJCI-LJQANCHMSA-N 1 2 339.464 3.718 40 0 EHABLO Cc1ccsc1C(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257327259 564055511 /nfs/dbraw/zinc/05/55/11/564055511.db2.gz XAROTFMAPGWSCX-OAHLLOKOSA-N 1 2 329.469 3.537 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH+]1 ZINC000257342059 564055782 /nfs/dbraw/zinc/05/57/82/564055782.db2.gz ZMXIZXLDMIBKJK-GOSISDBHSA-N 1 2 336.439 3.804 40 0 EHABLO O=C(CC1CC1)N1CCC2(Cc3[nH+]cc(-c4ccccc4)n3C2)CC1 ZINC000306131921 564062171 /nfs/dbraw/zinc/06/21/71/564062171.db2.gz KTHAMZMVQQVXGU-UHFFFAOYSA-N 1 2 335.451 3.515 40 0 EHABLO Fc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112090 564145385 /nfs/dbraw/zinc/14/53/85/564145385.db2.gz YLXZOGSJFZSDNZ-QAPCUYQASA-N 1 2 344.361 3.706 40 0 biogenic,in-vitro EHABLO Fc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112090 564145386 /nfs/dbraw/zinc/14/53/86/564145386.db2.gz YLXZOGSJFZSDNZ-QAPCUYQASA-N 1 2 344.361 3.706 40 0 biogenic,in-vitro EHABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000067898734 215245128 /nfs/dbraw/zinc/24/51/28/215245128.db2.gz GFJFQURMMSYULA-SFHVURJKSA-N 1 2 329.419 3.922 40 0 biogenic,in-vitro EHABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)cc1 ZINC000067898734 215245130 /nfs/dbraw/zinc/24/51/30/215245130.db2.gz GFJFQURMMSYULA-SFHVURJKSA-N 1 2 329.419 3.922 40 0 biogenic,in-vitro EHABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072383637 216184436 /nfs/dbraw/zinc/18/44/36/216184436.db2.gz QQXWUJAERNJHOP-GOSISDBHSA-N 1 2 347.422 3.704 40 0 EHABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072383637 216184440 /nfs/dbraw/zinc/18/44/40/216184440.db2.gz QQXWUJAERNJHOP-GOSISDBHSA-N 1 2 347.422 3.704 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)[nH+]1 ZINC000257259581 244293242 /nfs/dbraw/zinc/29/32/42/244293242.db2.gz KYZHQXGCXSQLFE-GFCCVEGCSA-N 1 2 337.345 3.757 40 0 EHABLO O=C(Nc1cccc2ccccc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020043482 212096807 /nfs/dbraw/zinc/09/68/07/212096807.db2.gz MSOCJZRDTSABCO-UHFFFAOYSA-N 1 2 346.430 3.924 40 0 EHABLO CNc1nc([C@@H]2CCCC[N@@H+]2Cc2cscn2)cn2cccc12 ZINC000257270467 244375295 /nfs/dbraw/zinc/37/52/95/244375295.db2.gz MUIFXEQLSSSMRA-HNNXBMFYSA-N 1 2 327.457 3.560 40 0 EHABLO CNc1nc([C@@H]2CCCC[N@H+]2Cc2cscn2)cn2cccc12 ZINC000257270467 244375301 /nfs/dbraw/zinc/37/53/01/244375301.db2.gz MUIFXEQLSSSMRA-HNNXBMFYSA-N 1 2 327.457 3.560 40 0 EHABLO Cc1nn(CCn2c[nH+]cc2-c2ccc3c(c2)C[C@@H](C)N3C)c(C)c1C ZINC000019719458 212057347 /nfs/dbraw/zinc/05/73/47/212057347.db2.gz ZPRWBLBHPZSASR-CQSZACIVSA-N 1 2 349.482 3.753 40 0 EHABLO Cc1nc(NC(=O)C[NH+]2CCC(c3ccc(F)cc3)CC2)sc1C ZINC000012113961 211293057 /nfs/dbraw/zinc/29/30/57/211293057.db2.gz UUOWDTPQMFZZCF-UHFFFAOYSA-N 1 2 347.459 3.717 40 0 EHABLO C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044900362 563927669 /nfs/dbraw/zinc/92/76/69/563927669.db2.gz LZDVFVDWVNCRQQ-OAHLLOKOSA-N 1 2 337.448 3.669 40 0 EHABLO CC(C)Oc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058249193 563940849 /nfs/dbraw/zinc/94/08/49/563940849.db2.gz QPYLHMRADGZVPN-UHFFFAOYSA-N 1 2 335.407 3.971 40 0 EHABLO C[NH+](C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCC2)cc1 ZINC000006949256 563993731 /nfs/dbraw/zinc/99/37/31/563993731.db2.gz LKTSWVQMHJEHIE-PEZBUJJGSA-N 1 2 348.450 3.509 40 0 EHABLO CC[N@H+](CCCNC(=O)c1cc(Cl)ccc1OC)c1ccccc1 ZINC000225041593 564044466 /nfs/dbraw/zinc/04/44/66/564044466.db2.gz LTZQHCQZHGYKDE-UHFFFAOYSA-N 1 2 346.858 3.995 40 0 EHABLO CC[N@@H+](CCCNC(=O)c1cc(Cl)ccc1OC)c1ccccc1 ZINC000225041593 564044467 /nfs/dbraw/zinc/04/44/67/564044467.db2.gz LTZQHCQZHGYKDE-UHFFFAOYSA-N 1 2 346.858 3.995 40 0 EHABLO Cc1cccc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CC3)C2)n1 ZINC000247867171 564052777 /nfs/dbraw/zinc/05/27/77/564052777.db2.gz JJKBASZROWRKIA-FQEVSTJZSA-N 1 2 325.456 3.565 40 0 EHABLO Cc1cccc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CC3)C2)n1 ZINC000247867171 564052778 /nfs/dbraw/zinc/05/27/78/564052778.db2.gz JJKBASZROWRKIA-FQEVSTJZSA-N 1 2 325.456 3.565 40 0 EHABLO c1cc2n(c1)[C@H](CCOCc1ccncc1)C[N@H+](Cc1ccoc1)C2 ZINC000247958945 564052847 /nfs/dbraw/zinc/05/28/47/564052847.db2.gz NPXHRVCPWFRZKN-HXUWFJFHSA-N 1 2 337.423 3.640 40 0 EHABLO c1cc2n(c1)[C@H](CCOCc1ccncc1)C[N@@H+](Cc1ccoc1)C2 ZINC000247958945 564052848 /nfs/dbraw/zinc/05/28/48/564052848.db2.gz NPXHRVCPWFRZKN-HXUWFJFHSA-N 1 2 337.423 3.640 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)cc[nH+]1 ZINC000257286593 564054743 /nfs/dbraw/zinc/05/47/43/564054743.db2.gz PMEDUJKEIWKFIP-WAVCKPEOSA-N 1 2 327.453 3.586 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)[nH+]1 ZINC000257297836 564054948 /nfs/dbraw/zinc/05/49/48/564054948.db2.gz RIYOKBLKDXTHSU-HNNXBMFYSA-N 1 2 342.443 3.774 40 0 EHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000328987637 564071312 /nfs/dbraw/zinc/07/13/12/564071312.db2.gz ICHVZHSRQNIJSO-INIZCTEOSA-N 1 2 346.862 3.602 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329030307 564071716 /nfs/dbraw/zinc/07/17/16/564071716.db2.gz QCRBDSVLMFESHX-VIFPVBQESA-N 1 2 336.361 3.569 40 0 EHABLO Clc1ccccc1-c1nc2cc(C[NH+]3CCOCC3)ccc2o1 ZINC000216799551 241212222 /nfs/dbraw/zinc/21/22/22/241212222.db2.gz BXFXHSMTDIOKIO-UHFFFAOYSA-N 1 2 328.799 3.980 40 0 EHABLO Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1C ZINC000020461785 212133803 /nfs/dbraw/zinc/13/38/03/212133803.db2.gz CXNXBWMAGPSCRK-QGZVFWFLSA-N 1 2 349.434 3.573 40 0 EHABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3ccsc3)n2)n1 ZINC000257204348 244129894 /nfs/dbraw/zinc/12/98/94/244129894.db2.gz AUCUAQOCYAPOTC-INIZCTEOSA-N 1 2 339.468 3.882 40 0 EHABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3ccsc3)n2)n1 ZINC000257204348 244129900 /nfs/dbraw/zinc/12/99/00/244129900.db2.gz AUCUAQOCYAPOTC-INIZCTEOSA-N 1 2 339.468 3.882 40 0 EHABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)ccn1 ZINC000257222181 244189189 /nfs/dbraw/zinc/18/91/89/244189189.db2.gz DSHCDBVBXOWNPI-INIZCTEOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2ncc[nH]2)ccn1 ZINC000257222181 244189197 /nfs/dbraw/zinc/18/91/97/244189197.db2.gz DSHCDBVBXOWNPI-INIZCTEOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)ccn1 ZINC000257222181 244189205 /nfs/dbraw/zinc/18/92/05/244189205.db2.gz DSHCDBVBXOWNPI-INIZCTEOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1nc(N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cc[nH+]1 ZINC000257245635 244254968 /nfs/dbraw/zinc/25/49/68/244254968.db2.gz IQKKWJGSGGFRGE-KRWDZBQOSA-N 1 2 338.386 3.844 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)[nH+]1 ZINC000257259582 244293635 /nfs/dbraw/zinc/29/36/35/244293635.db2.gz KYZHQXGCXSQLFE-LBPRGKRZSA-N 1 2 337.345 3.757 40 0 EHABLO CCn1c(C)[nH+]c2cc(NC(=O)c3n[nH]c4ccc(C)cc43)ccc21 ZINC000019657086 212053611 /nfs/dbraw/zinc/05/36/11/212053611.db2.gz ZVPOSHPRWQKNJC-UHFFFAOYSA-N 1 2 333.395 3.802 40 0 EHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000004847673 210299563 /nfs/dbraw/zinc/29/95/63/210299563.db2.gz KXNRMPYFQJRVBT-QGZVFWFLSA-N 1 2 345.466 3.779 40 0 EHABLO CC1CC[NH+]([C@H](c2nnnn2C(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000004847725 210299604 /nfs/dbraw/zinc/29/96/04/210299604.db2.gz QDZISVBHZUKWJV-INIZCTEOSA-N 1 2 347.894 3.903 40 0 EHABLO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3cccnc3)o2)s1 ZINC000060016734 563949555 /nfs/dbraw/zinc/94/95/55/563949555.db2.gz BKFFOQLFJUGXNF-CQSZACIVSA-N 1 2 326.425 3.839 40 0 EHABLO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3cccnc3)o2)s1 ZINC000060016734 563949557 /nfs/dbraw/zinc/94/95/57/563949557.db2.gz BKFFOQLFJUGXNF-CQSZACIVSA-N 1 2 326.425 3.839 40 0 EHABLO Cc1cccc(CS(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000096659632 563981057 /nfs/dbraw/zinc/98/10/57/563981057.db2.gz RMVWKBVMPNQNPT-UHFFFAOYSA-N 1 2 344.480 3.927 40 0 EHABLO CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225607485 564048316 /nfs/dbraw/zinc/04/83/16/564048316.db2.gz CDPYJCPKSWZTPX-UHFFFAOYSA-N 1 2 339.826 3.857 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)CCc2ccccc2F)cc[nH+]1 ZINC000257284806 564054717 /nfs/dbraw/zinc/05/47/17/564054717.db2.gz PEKADXNMCBWGFD-GOSISDBHSA-N 1 2 341.430 3.583 40 0 EHABLO CNc1cc([C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)cc[nH+]1 ZINC000257286764 564054755 /nfs/dbraw/zinc/05/47/55/564054755.db2.gz PMYHFFPXRSPLKD-KRWDZBQOSA-N 1 2 346.434 3.691 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)[nH+]1 ZINC000257330185 564055530 /nfs/dbraw/zinc/05/55/30/564055530.db2.gz XNGCLLJBOPIXPX-ZDUSSCGKSA-N 1 2 337.345 3.757 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329012061 564071496 /nfs/dbraw/zinc/07/14/96/564071496.db2.gz MIFBGRBBXYACFU-SECBINFHSA-N 1 2 336.361 3.569 40 0 EHABLO CC[C@H](C)Nc1nc(NCc2cccs2)cc(-c2ccccc2)[nH+]1 ZINC000329026954 564071637 /nfs/dbraw/zinc/07/16/37/564071637.db2.gz PPTIVSYYZRKEFF-AWEZNQCLSA-N 1 2 338.480 3.871 40 0 EHABLO CCOc1ccc(-c2nc(Nc3cccc(OC)c3)cc(N)[nH+]2)cc1 ZINC000049468075 214010231 /nfs/dbraw/zinc/01/02/31/214010231.db2.gz IELUHUYTXHKGNL-UHFFFAOYSA-N 1 2 336.395 3.877 40 0 EHABLO CCOc1ccc(-c2nc(N)cc(Nc3cccc(OC)c3)[nH+]2)cc1 ZINC000049468075 214010234 /nfs/dbraw/zinc/01/02/34/214010234.db2.gz IELUHUYTXHKGNL-UHFFFAOYSA-N 1 2 336.395 3.877 40 0 EHABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3C3CCCC3)nc(C)n2)s1 ZINC000072360095 216165839 /nfs/dbraw/zinc/16/58/39/216165839.db2.gz OMWMVJXXZPVCTI-HNNXBMFYSA-N 1 2 344.488 3.768 40 0 EHABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@H+]3C3CCCC3)nc(C)n2)s1 ZINC000072360095 216165841 /nfs/dbraw/zinc/16/58/41/216165841.db2.gz OMWMVJXXZPVCTI-HNNXBMFYSA-N 1 2 344.488 3.768 40 0 EHABLO O=C1N[C@@H](c2ccccc2)[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000073297933 216374829 /nfs/dbraw/zinc/37/48/29/216374829.db2.gz NCBPYFZKSGGZGP-FCHUYYIVSA-N 1 2 342.442 3.929 40 0 EHABLO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000022529057 212306027 /nfs/dbraw/zinc/30/60/27/212306027.db2.gz FOSKBIZWJOVKKZ-KRWDZBQOSA-N 1 2 349.434 3.573 40 0 EHABLO CC(C)c1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020482556 212136979 /nfs/dbraw/zinc/13/69/79/212136979.db2.gz WZAGMJOEZVCZMV-UHFFFAOYSA-N 1 2 349.434 3.691 40 0 EHABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2ccccc2)[nH+]1 ZINC000257211721 244152135 /nfs/dbraw/zinc/15/21/35/244152135.db2.gz CACKPNLNGFCZCP-LJQANCHMSA-N 1 2 337.467 3.775 40 0 EHABLO COc1ccccc1C[N@@H+]1CCO[C@@H](c2cc3ccccc3cn2)C1 ZINC000019570526 212044399 /nfs/dbraw/zinc/04/43/99/212044399.db2.gz KLOLSINMLSLXGW-OAQYLSRUSA-N 1 2 334.419 3.817 40 0 EHABLO COc1ccccc1C[N@H+]1CCO[C@@H](c2cc3ccccc3cn2)C1 ZINC000019570526 212044403 /nfs/dbraw/zinc/04/44/03/212044403.db2.gz KLOLSINMLSLXGW-OAQYLSRUSA-N 1 2 334.419 3.817 40 0 EHABLO c1cc(-c2nnc([C@@H]3CCCC[N@H+]3Cc3ccccn3)o2)cs1 ZINC000019401747 212025305 /nfs/dbraw/zinc/02/53/05/212025305.db2.gz FWRAWPQEDJLIHT-HNNXBMFYSA-N 1 2 326.425 3.920 40 0 EHABLO c1cc(-c2nnc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)o2)cs1 ZINC000019401747 212025309 /nfs/dbraw/zinc/02/53/09/212025309.db2.gz FWRAWPQEDJLIHT-HNNXBMFYSA-N 1 2 326.425 3.920 40 0 EHABLO COc1ccc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1OC ZINC000012188508 211313621 /nfs/dbraw/zinc/31/36/21/211313621.db2.gz LPVGXUOICKXFEZ-KRWDZBQOSA-N 1 2 343.814 3.544 40 0 EHABLO C[N@H+](Cc1cnn(C2CCCCC2)c1)Cc1[nH]nc2c1CCCC2 ZINC000012143732 523519836 /nfs/dbraw/zinc/51/98/36/523519836.db2.gz PHLCQWKFVXZVEZ-UHFFFAOYSA-N 1 2 327.476 3.622 40 0 EHABLO C[N@@H+](Cc1cnn(C2CCCCC2)c1)Cc1[nH]nc2c1CCCC2 ZINC000012143732 523519852 /nfs/dbraw/zinc/51/98/52/523519852.db2.gz PHLCQWKFVXZVEZ-UHFFFAOYSA-N 1 2 327.476 3.622 40 0 EHABLO C[C@H](C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000019080712 563853600 /nfs/dbraw/zinc/85/36/00/563853600.db2.gz BGLJWWMNWRWJGN-VXGBXAGGSA-N 1 2 332.473 3.690 40 0 EHABLO CCOC(=O)C[C@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000033732081 563916477 /nfs/dbraw/zinc/91/64/77/563916477.db2.gz HRWUEUOAAKJSEV-BBTUJRGHSA-N 1 2 337.419 3.601 40 0 EHABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(C)s1)C[C@@H]2COCC1CC1 ZINC000096060428 563978926 /nfs/dbraw/zinc/97/89/26/563978926.db2.gz PWGIFKODDZJGOI-MRXNPFEDSA-N 1 2 345.512 3.799 40 0 EHABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(C)s1)C[C@@H]2COCC1CC1 ZINC000096060428 563978927 /nfs/dbraw/zinc/97/89/27/563978927.db2.gz PWGIFKODDZJGOI-MRXNPFEDSA-N 1 2 345.512 3.799 40 0 EHABLO COc1ccc2c(c1)[C@H](NC(=S)Nc1cc[nH+]cc1)CC(C)(C)O2 ZINC000225684869 564049346 /nfs/dbraw/zinc/04/93/46/564049346.db2.gz VPVLMVMGEYGBGL-OAHLLOKOSA-N 1 2 343.452 3.679 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc3ncccc3c2)cc[nH+]1 ZINC000257287269 564054781 /nfs/dbraw/zinc/05/47/81/564054781.db2.gz PPFQWPLMWAVGIQ-GOSISDBHSA-N 1 2 332.407 3.649 40 0 EHABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329058420 564072033 /nfs/dbraw/zinc/07/20/33/564072033.db2.gz WCVRCYVSZPRNNA-UHFFFAOYSA-N 1 2 345.328 3.765 40 0 EHABLO CC(C)(C)Nc1nc(NCCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329070208 564072136 /nfs/dbraw/zinc/07/21/36/564072136.db2.gz ZETLZURSIUULNW-UHFFFAOYSA-N 1 2 347.466 3.826 40 0 EHABLO C[C@@H](c1nccs1)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000169618346 564096667 /nfs/dbraw/zinc/09/66/67/564096667.db2.gz SHDSHHFNMQFYBL-QWHCGFSZSA-N 1 2 325.478 3.535 40 0 EHABLO C[C@@H](c1nccs1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000169618346 564096668 /nfs/dbraw/zinc/09/66/68/564096668.db2.gz SHDSHHFNMQFYBL-QWHCGFSZSA-N 1 2 325.478 3.535 40 0 EHABLO COc1ccc([C@H]2CC(=O)[C@@H](C)[C@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000101511535 219129721 /nfs/dbraw/zinc/12/97/21/219129721.db2.gz LUPLWIXSMMGDLK-CFSSXQINSA-N 1 2 325.408 3.685 40 0 EHABLO O=C(Nc1ccc(F)c(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068370096 215302636 /nfs/dbraw/zinc/30/26/36/215302636.db2.gz NFRJFISBZYSPGD-UHFFFAOYSA-N 1 2 348.805 3.564 40 0 EHABLO CCn1ncc(C[N@@H+](Cc2ccccc2F)C[C@@H]2CCCO2)c1C ZINC000019523914 212038382 /nfs/dbraw/zinc/03/83/82/212038382.db2.gz CFXJPNIXHWDAJJ-SFHVURJKSA-N 1 2 331.435 3.532 40 0 EHABLO CCn1ncc(C[N@H+](Cc2ccccc2F)C[C@@H]2CCCO2)c1C ZINC000019523914 212038385 /nfs/dbraw/zinc/03/83/85/212038385.db2.gz CFXJPNIXHWDAJJ-SFHVURJKSA-N 1 2 331.435 3.532 40 0 EHABLO CCC[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C ZINC000504206278 257723042 /nfs/dbraw/zinc/72/30/42/257723042.db2.gz ANZJEBIOQWYXTB-YOEHRIQHSA-N 1 2 339.426 3.922 40 0 EHABLO O=C(NCCCn1cc[nH+]c1)/C(=C\c1ccccc1)c1ccccc1 ZINC000006593799 563573908 /nfs/dbraw/zinc/57/39/08/563573908.db2.gz QOWIRLSILZMXJE-SILNSSARSA-N 1 2 331.419 3.630 40 0 EHABLO Cc1ccc(C)c([C@H](NC(=O)CCCn2cc[nH+]c2)c2ccncc2)c1 ZINC000019132230 563854426 /nfs/dbraw/zinc/85/44/26/563854426.db2.gz JTUNFTAHKJZSAD-OAQYLSRUSA-N 1 2 348.450 3.581 40 0 EHABLO Cc1nn(CCn2c[nH+]cc2-c2ccc3c(c2)CCCN3C)c(C)c1C ZINC000019720025 563856547 /nfs/dbraw/zinc/85/65/47/563856547.db2.gz AZZGKFCZWAFBEZ-UHFFFAOYSA-N 1 2 349.482 3.754 40 0 EHABLO Cc1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044909537 563928139 /nfs/dbraw/zinc/92/81/39/563928139.db2.gz GQPLUQBYVXCGRK-UHFFFAOYSA-N 1 2 333.435 3.602 40 0 EHABLO CSc1ncc(C[N@@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cn1 ZINC000057811068 563935927 /nfs/dbraw/zinc/93/59/27/563935927.db2.gz QHMMMOFEAYXSHN-INIZCTEOSA-N 1 2 347.459 3.519 40 0 EHABLO CSc1ncc(C[N@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cn1 ZINC000057811068 563935928 /nfs/dbraw/zinc/93/59/28/563935928.db2.gz QHMMMOFEAYXSHN-INIZCTEOSA-N 1 2 347.459 3.519 40 0 EHABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(C)s1)C[C@H]2COCC1CC1 ZINC000096060429 563978865 /nfs/dbraw/zinc/97/88/65/563978865.db2.gz PWGIFKODDZJGOI-INIZCTEOSA-N 1 2 345.512 3.799 40 0 EHABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(C)s1)C[C@H]2COCC1CC1 ZINC000096060429 563978866 /nfs/dbraw/zinc/97/88/66/563978866.db2.gz PWGIFKODDZJGOI-INIZCTEOSA-N 1 2 345.512 3.799 40 0 EHABLO CC[NH+](CC)CC(=O)Nc1sc(C)cc1C(=O)c1ccc(C)cc1 ZINC000000413272 563997191 /nfs/dbraw/zinc/99/71/91/563997191.db2.gz CVIGTVFMIUXGHR-UHFFFAOYSA-N 1 2 344.480 3.876 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cnc3ccccc3c2)cc[nH+]1 ZINC000257310805 564055219 /nfs/dbraw/zinc/05/52/19/564055219.db2.gz UGQQPCNWETXPKG-IBGZPJMESA-N 1 2 346.434 3.673 40 0 EHABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329041866 564071829 /nfs/dbraw/zinc/07/18/29/564071829.db2.gz SKJXNLWTITYCKM-MRXNPFEDSA-N 1 2 346.862 3.602 40 0 EHABLO Fc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000004190580 210141440 /nfs/dbraw/zinc/14/14/40/210141440.db2.gz ZARJHHCDMYLLLQ-QGZVFWFLSA-N 1 2 329.423 3.503 40 0 EHABLO O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038853502 213228952 /nfs/dbraw/zinc/22/89/52/213228952.db2.gz KMSNBMJNFDOXFO-UHFFFAOYSA-N 1 2 329.762 3.976 40 0 EHABLO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000022529052 212305483 /nfs/dbraw/zinc/30/54/83/212305483.db2.gz FOSKBIZWJOVKKZ-QGZVFWFLSA-N 1 2 349.434 3.573 40 0 EHABLO Cc1cc(Cl)ccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022512780 212303149 /nfs/dbraw/zinc/30/31/49/212303149.db2.gz JSTRTHYRBUPMJH-UHFFFAOYSA-N 1 2 344.842 3.733 40 0 EHABLO CC(C)(C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000243750963 243026218 /nfs/dbraw/zinc/02/62/18/243026218.db2.gz PWTLOKUEVSXXCU-HNNXBMFYSA-N 1 2 326.444 3.945 40 0 EHABLO Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1C ZINC000020461788 212133860 /nfs/dbraw/zinc/13/38/60/212133860.db2.gz CXNXBWMAGPSCRK-KRWDZBQOSA-N 1 2 349.434 3.573 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257258174 244287570 /nfs/dbraw/zinc/28/75/70/244287570.db2.gz KSRKGWOJLLGGJK-OAHLLOKOSA-N 1 2 339.464 3.963 40 0 EHABLO Cc1c(-c2cccc(C)c2)nn2c1[nH]c([C@@H](C)n1cc[nH+]c1)cc2=O ZINC000019235255 212007496 /nfs/dbraw/zinc/00/74/96/212007496.db2.gz GPEBMJKMUYRSMH-CQSZACIVSA-N 1 2 333.395 3.525 40 0 EHABLO CC(C)(C)OC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225761 257686720 /nfs/dbraw/zinc/68/67/20/257686720.db2.gz YIVRVDBNXUBTPX-UHFFFAOYSA-N 1 2 339.439 3.669 40 0 EHABLO COc1ccccc1C(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226255159 537000566 /nfs/dbraw/zinc/00/05/66/537000566.db2.gz WEHXZRQOXOPNIY-UHFFFAOYSA-N 1 2 339.439 3.766 40 0 EHABLO CC(C)[NH+](C(C)C)[C@@H]1C2=C(CCSC2)OC(=O)C1(Cl)Cl ZINC000031760928 563913012 /nfs/dbraw/zinc/91/30/12/563913012.db2.gz PZNXDYLWBFHKQV-GFCCVEGCSA-N 1 2 338.300 3.596 40 0 EHABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)o1 ZINC000096049076 563978417 /nfs/dbraw/zinc/97/84/17/563978417.db2.gz MGTORJJRIPVTCK-FQEVSTJZSA-N 1 2 344.430 3.599 40 0 EHABLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)o1 ZINC000096049076 563978418 /nfs/dbraw/zinc/97/84/18/563978418.db2.gz MGTORJJRIPVTCK-FQEVSTJZSA-N 1 2 344.430 3.599 40 0 EHABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]2COCC1CC1 ZINC000096060431 563978889 /nfs/dbraw/zinc/97/88/89/563978889.db2.gz JYDKYMXGOJXFNC-KRWDZBQOSA-N 1 2 343.446 3.568 40 0 EHABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(F)cc1)C[C@H]2COCC1CC1 ZINC000096060431 563978890 /nfs/dbraw/zinc/97/88/90/563978890.db2.gz JYDKYMXGOJXFNC-KRWDZBQOSA-N 1 2 343.446 3.568 40 0 EHABLO Fc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000225454090 564046904 /nfs/dbraw/zinc/04/69/04/564046904.db2.gz BOWUVGALDIFBKE-UHFFFAOYSA-N 1 2 344.390 3.637 40 0 EHABLO Fc1cccc(F)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329069784 564072166 /nfs/dbraw/zinc/07/21/66/564072166.db2.gz ZAWPJHLDGPTVBY-UHFFFAOYSA-N 1 2 344.409 3.964 40 0 EHABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000053064890 564087186 /nfs/dbraw/zinc/08/71/86/564087186.db2.gz RDYFUWNWCLICAM-GOSISDBHSA-N 1 2 349.883 3.529 40 0 EHABLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000053064890 564087187 /nfs/dbraw/zinc/08/71/87/564087187.db2.gz RDYFUWNWCLICAM-GOSISDBHSA-N 1 2 349.883 3.529 40 0 EHABLO CC(C)(C)C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000273572468 1027499248 /nfs/dbraw/zinc/49/92/48/1027499248.db2.gz JFYXOGIUPNWFMT-NWDGAFQWSA-N 1 2 346.397 3.666 40 0 EHABLO CC(C)(C)C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000273572470 1027500277 /nfs/dbraw/zinc/50/02/77/1027500277.db2.gz JFYXOGIUPNWFMT-RYUDHWBXSA-N 1 2 346.397 3.666 40 0 EHABLO c1ccc(N2N=N[C@@H]3C4CC([C@@H]5[C@@H]4N=[NH+]N5c4ccccc4)[C@@H]32)cc1 ZINC000004721937 210260037 /nfs/dbraw/zinc/26/00/37/210260037.db2.gz GXZOSPLKQHPMGJ-HEPMNBHFSA-N 1 2 330.395 3.885 40 0 EHABLO COc1ccc([C@H]2CC(=O)[C@H](C)[C@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000101511532 219129810 /nfs/dbraw/zinc/12/98/10/219129810.db2.gz LUPLWIXSMMGDLK-CYFNAFFESA-N 1 2 325.408 3.685 40 0 EHABLO CC(C)(C)c1cc(CC2([NH2+]Cc3ccccc3Cl)COC2)no1 ZINC000067897827 215245054 /nfs/dbraw/zinc/24/50/54/215245054.db2.gz AJBZKXXHGMEFTB-UHFFFAOYSA-N 1 2 334.847 3.727 40 0 biogenic,in-vitro EHABLO O=C(CCSc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020483470 212136623 /nfs/dbraw/zinc/13/66/23/212136623.db2.gz SVZPHLPBKPMDOQ-UHFFFAOYSA-N 1 2 337.448 3.671 40 0 EHABLO COc1cccc2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)oc21 ZINC000020450926 212129976 /nfs/dbraw/zinc/12/99/76/212129976.db2.gz VFFOLQDHWFPHDR-UHFFFAOYSA-N 1 2 347.374 3.557 40 0 EHABLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]2)cc1OC ZINC000019658783 212053901 /nfs/dbraw/zinc/05/39/01/212053901.db2.gz BBBHVJOZUQZIKH-KRWDZBQOSA-N 1 2 337.423 3.917 40 0 EHABLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]2)cc1OC ZINC000019658783 212053905 /nfs/dbraw/zinc/05/39/05/212053905.db2.gz BBBHVJOZUQZIKH-KRWDZBQOSA-N 1 2 337.423 3.917 40 0 EHABLO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000012119190 211297422 /nfs/dbraw/zinc/29/74/22/211297422.db2.gz RQYMQRYUMVDRSP-ZDUSSCGKSA-N 1 2 344.361 3.710 40 0 EHABLO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000012119190 211297426 /nfs/dbraw/zinc/29/74/26/211297426.db2.gz RQYMQRYUMVDRSP-ZDUSSCGKSA-N 1 2 344.361 3.710 40 0 EHABLO CCCCc1[nH+]c2ccccc2n1C[C@@H](O)CO[C@@H]1CC=CCC1 ZINC000004945746 210336085 /nfs/dbraw/zinc/33/60/85/210336085.db2.gz KCHIWIJFVOJWFI-IAGOWNOFSA-N 1 2 328.456 3.865 40 0 EHABLO CC(C)n1cc[nH+]c1[C@H]1CN(C(=O)c2ccco2)Cc2ccccc21 ZINC000306135385 257922401 /nfs/dbraw/zinc/92/24/01/257922401.db2.gz OPKXMWHWHUWBSV-KRWDZBQOSA-N 1 2 335.407 3.845 40 0 EHABLO COc1cc(Cc2[nH+]ccc3cc(OC)c(OC)cc32)ccc1O ZINC000013282480 563693818 /nfs/dbraw/zinc/69/38/18/563693818.db2.gz NKHOXTRNHKKYSU-UHFFFAOYSA-N 1 2 325.364 3.557 40 0 biogenic,in-vitro EHABLO CCOC(=O)C[C@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000033732079 563916445 /nfs/dbraw/zinc/91/64/45/563916445.db2.gz HRWUEUOAAKJSEV-WFXMLNOXSA-N 1 2 337.419 3.601 40 0 EHABLO O=C(C1CCC1)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096243536 563980595 /nfs/dbraw/zinc/98/05/95/563980595.db2.gz IBQLYKXZCDFGSG-UHFFFAOYSA-N 1 2 335.451 3.614 40 0 EHABLO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257228377 564054592 /nfs/dbraw/zinc/05/45/92/564054592.db2.gz FTORQLHYJMKWGX-AWEZNQCLSA-N 1 2 327.457 3.517 40 0 EHABLO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257228377 564054593 /nfs/dbraw/zinc/05/45/93/564054593.db2.gz FTORQLHYJMKWGX-AWEZNQCLSA-N 1 2 327.457 3.517 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)c2nccc3ccccc32)cc[nH+]1 ZINC000257313587 564055301 /nfs/dbraw/zinc/05/53/01/564055301.db2.gz UTHBTXPORPGZAE-QGZVFWFLSA-N 1 2 332.407 3.649 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328966937 564071029 /nfs/dbraw/zinc/07/10/29/564071029.db2.gz CPCXNYMJEKIDNT-JTQLQIEISA-N 1 2 334.826 3.944 40 0 EHABLO CCNc1nc(Nc2cccc(SC)c2)cc(-c2ccccc2)[nH+]1 ZINC000328975501 564071146 /nfs/dbraw/zinc/07/11/46/564071146.db2.gz FLDPIRSOIZZOQN-UHFFFAOYSA-N 1 2 336.464 3.885 40 0 EHABLO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000038850251 213227869 /nfs/dbraw/zinc/22/78/69/213227869.db2.gz QMAMBHNSWIUKGH-UHFFFAOYSA-N 1 2 341.798 3.846 40 0 EHABLO COc1ccccc1C[N@@H+]1CCO[C@H](c2cc3ccccc3cn2)C1 ZINC000019570529 212043506 /nfs/dbraw/zinc/04/35/06/212043506.db2.gz KLOLSINMLSLXGW-NRFANRHFSA-N 1 2 334.419 3.817 40 0 EHABLO COc1ccccc1C[N@H+]1CCO[C@H](c2cc3ccccc3cn2)C1 ZINC000019570529 212043511 /nfs/dbraw/zinc/04/35/11/212043511.db2.gz KLOLSINMLSLXGW-NRFANRHFSA-N 1 2 334.419 3.817 40 0 EHABLO Cc1sc2c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)[nH+]c(C)n2c1C ZINC000019561769 212042400 /nfs/dbraw/zinc/04/24/00/212042400.db2.gz QNQTYJPXKRIWIC-BMIGLBTASA-N 1 2 331.485 3.683 40 0 EHABLO CC(C)c1ncc(C[N@@H+](Cc2ccccc2F)C[C@H]2CCCO2)cn1 ZINC000019453928 212028818 /nfs/dbraw/zinc/02/88/18/212028818.db2.gz FDESZEJBJUSXMR-GOSISDBHSA-N 1 2 343.446 3.920 40 0 EHABLO CC(C)c1ncc(C[N@H+](Cc2ccccc2F)C[C@H]2CCCO2)cn1 ZINC000019453928 212028821 /nfs/dbraw/zinc/02/88/21/212028821.db2.gz FDESZEJBJUSXMR-GOSISDBHSA-N 1 2 343.446 3.920 40 0 EHABLO C[C@@H](c1cc(=O)n2nc(-c3cccc(Cl)c3)cc2[nH]1)n1cc[nH+]c1 ZINC000019458218 212030240 /nfs/dbraw/zinc/03/02/40/212030240.db2.gz ILDWGEBKBIEMGU-NSHDSACASA-N 1 2 339.786 3.561 40 0 EHABLO Cn1ncc2c1nc(NC1CCCCC1)[nH+]c2NC1CCCCC1 ZINC000001562386 563392124 /nfs/dbraw/zinc/39/21/24/563392124.db2.gz ZUFADQZAQRIKFJ-UHFFFAOYSA-N 1 2 328.464 3.853 40 0 EHABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3cccnc3)o2)s1 ZINC000060016732 563949571 /nfs/dbraw/zinc/94/95/71/563949571.db2.gz BKFFOQLFJUGXNF-AWEZNQCLSA-N 1 2 326.425 3.839 40 0 EHABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3cccnc3)o2)s1 ZINC000060016732 563949572 /nfs/dbraw/zinc/94/95/72/563949572.db2.gz BKFFOQLFJUGXNF-AWEZNQCLSA-N 1 2 326.425 3.839 40 0 EHABLO Cc1ccccc1CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000096659631 563981040 /nfs/dbraw/zinc/98/10/40/563981040.db2.gz QLWJGWLEFZFTJB-UHFFFAOYSA-N 1 2 344.480 3.927 40 0 EHABLO CCc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225453053 564046895 /nfs/dbraw/zinc/04/68/95/564046895.db2.gz VZINARHQZIUCHO-UHFFFAOYSA-N 1 2 336.464 3.921 40 0 EHABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc[nH+]1 ZINC000257304097 564055136 /nfs/dbraw/zinc/05/51/36/564055136.db2.gz SKBMHEXGWKPYIY-KRWDZBQOSA-N 1 2 327.403 3.559 40 0 EHABLO CNc1cc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257330289 564055535 /nfs/dbraw/zinc/05/55/35/564055535.db2.gz XNSACYACBAPAFY-KRWDZBQOSA-N 1 2 341.430 3.601 40 0 EHABLO CNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328967269 564059186 /nfs/dbraw/zinc/05/91/86/564059186.db2.gz CSPQTYHBXYZZLW-UHFFFAOYSA-N 1 2 328.778 3.565 40 0 EHABLO CC[C@H](C)Nc1nc(NCc2cccc(C)c2)cc(-c2cccnc2)[nH+]1 ZINC000328993815 564071357 /nfs/dbraw/zinc/07/13/57/564071357.db2.gz JCMXBQWVKLQBHQ-INIZCTEOSA-N 1 2 347.466 3.513 40 0 EHABLO CCNc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(C2CC2)[nH+]1 ZINC000329011462 564071525 /nfs/dbraw/zinc/07/15/25/564071525.db2.gz METPUVRSGYJELT-UHFFFAOYSA-N 1 2 336.361 3.700 40 0 EHABLO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC(C)(C)C)n2)cc1 ZINC000067898801 215245242 /nfs/dbraw/zinc/24/52/42/215245242.db2.gz YRZACJYHFYJASX-KRWDZBQOSA-N 1 2 329.444 3.505 40 0 biogenic,in-vitro EHABLO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC(C)(C)C)n2)cc1 ZINC000067898801 215245244 /nfs/dbraw/zinc/24/52/44/215245244.db2.gz YRZACJYHFYJASX-KRWDZBQOSA-N 1 2 329.444 3.505 40 0 biogenic,in-vitro EHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072378939 216181793 /nfs/dbraw/zinc/18/17/93/216181793.db2.gz SHAVMTJJYLUFDQ-QGZVFWFLSA-N 1 2 338.455 3.854 40 0 EHABLO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000022531984 212305476 /nfs/dbraw/zinc/30/54/76/212305476.db2.gz KCAGXPMTIXVPMH-HNNXBMFYSA-N 1 2 337.876 3.614 40 0 EHABLO O[C@@](/C=C/c1ccc(Cl)cc1)(Cn1cc[nH+]c1)c1ccncc1 ZINC000022115006 212277905 /nfs/dbraw/zinc/27/79/05/212277905.db2.gz WNHHKRRKYLMQCJ-MOTZXUDYSA-N 1 2 325.799 3.533 40 0 EHABLO O=C(/C=C/c1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000216428815 241191051 /nfs/dbraw/zinc/19/10/51/241191051.db2.gz YBSGHOQLXVNLMI-MDZDMXLPSA-N 1 2 337.810 3.855 40 0 EHABLO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000020454822 212131783 /nfs/dbraw/zinc/13/17/83/212131783.db2.gz GHSFXENXEZOZIC-KRWDZBQOSA-N 1 2 349.434 3.573 40 0 EHABLO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2ccn3ccnc3n2)nc1 ZINC000257207182 244135129 /nfs/dbraw/zinc/13/51/29/244135129.db2.gz BGRTUVHUFTYNPB-INIZCTEOSA-N 1 2 327.819 3.505 40 0 EHABLO Clc1ccc(C[N@H+]2CCCC[C@H]2c2ccn3ccnc3n2)nc1 ZINC000257207182 244135136 /nfs/dbraw/zinc/13/51/36/244135136.db2.gz BGRTUVHUFTYNPB-INIZCTEOSA-N 1 2 327.819 3.505 40 0 EHABLO CC(C)(C)n1nnnc1[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000020120937 212104250 /nfs/dbraw/zinc/10/42/50/212104250.db2.gz WYKYCCKMAKJLJK-IBGZPJMESA-N 1 2 347.466 3.576 40 0 EHABLO CC(C)(C)n1nnnc1[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000020120937 212104254 /nfs/dbraw/zinc/10/42/54/212104254.db2.gz WYKYCCKMAKJLJK-IBGZPJMESA-N 1 2 347.466 3.576 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257258173 244286271 /nfs/dbraw/zinc/28/62/71/244286271.db2.gz KSRKGWOJLLGGJK-HNNXBMFYSA-N 1 2 339.464 3.963 40 0 EHABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)c3cccs3)C2)c2sccn12 ZINC000257266285 244362003 /nfs/dbraw/zinc/36/20/03/244362003.db2.gz MCHMHTUVUPANMS-QGZVFWFLSA-N 1 2 345.493 3.960 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cnc3ccccc3c2)cc[nH+]1 ZINC000257310806 244489380 /nfs/dbraw/zinc/48/93/80/244489380.db2.gz UGQQPCNWETXPKG-LJQANCHMSA-N 1 2 346.434 3.673 40 0 EHABLO Cc1cc(C)n(CCCn2c[nH+]cc2-c2ccc3c(c2)C[C@H](C)N3C)n1 ZINC000019719445 212057571 /nfs/dbraw/zinc/05/75/71/212057571.db2.gz IYMGQYQQQOHGBY-INIZCTEOSA-N 1 2 349.482 3.835 40 0 EHABLO Cc1nn(C)cc1-c1c[nH+]cn1C[C@@H](C)Oc1ccccc1Cl ZINC000019719512 212057197 /nfs/dbraw/zinc/05/71/97/212057197.db2.gz JBYDIUUIHQNBCP-GFCCVEGCSA-N 1 2 330.819 3.713 40 0 EHABLO Cc1sc2c(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)[nH+]c(C)n2c1C ZINC000019561777 212042395 /nfs/dbraw/zinc/04/23/95/212042395.db2.gz QNQTYJPXKRIWIC-ZUZCIYMTSA-N 1 2 331.485 3.683 40 0 EHABLO Cc1cc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218808 563985643 /nfs/dbraw/zinc/98/56/43/563985643.db2.gz IUIDIKRYKGKVAQ-LJQANCHMSA-N 1 2 335.451 3.968 40 0 EHABLO Cc1ccc(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)s1 ZINC000257301844 564055078 /nfs/dbraw/zinc/05/50/78/564055078.db2.gz SAFBYWLQHODEPW-OAHLLOKOSA-N 1 2 329.469 3.537 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCCC3)[nH+]1 ZINC000257318293 564055365 /nfs/dbraw/zinc/05/53/65/564055365.db2.gz VNGOYKXDLJXVOG-IBGZPJMESA-N 1 2 337.467 3.514 40 0 EHABLO O=C(CC1CC1)N1CCC2(Cc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306141838 564062297 /nfs/dbraw/zinc/06/22/97/564062297.db2.gz WHTOONXLAXUENR-UHFFFAOYSA-N 1 2 341.480 3.577 40 0 EHABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(F)c1 ZINC000329006318 564071469 /nfs/dbraw/zinc/07/14/69/564071469.db2.gz LCYYFWMWVOTVLK-UHFFFAOYSA-N 1 2 330.382 3.574 40 0 EHABLO CNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329041914 564071824 /nfs/dbraw/zinc/07/18/24/564071824.db2.gz SKYBRGFCXQPIRB-UHFFFAOYSA-N 1 2 328.778 3.565 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329066963 564072115 /nfs/dbraw/zinc/07/21/15/564072115.db2.gz YFCJRQLAJDOQQH-SNVBAGLBSA-N 1 2 332.835 3.511 40 0 EHABLO COc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000329070668 564072178 /nfs/dbraw/zinc/07/21/78/564072178.db2.gz ZJPDFZXBDZCBDI-UHFFFAOYSA-N 1 2 338.455 3.793 40 0 EHABLO COc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000329070668 564072179 /nfs/dbraw/zinc/07/21/79/564072179.db2.gz ZJPDFZXBDZCBDI-UHFFFAOYSA-N 1 2 338.455 3.793 40 0 EHABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)c1 ZINC000095533599 564141664 /nfs/dbraw/zinc/14/16/64/564141664.db2.gz MBGLCINNZVUAMG-KRWDZBQOSA-N 1 2 336.439 3.826 40 0 EHABLO COc1cccc([C@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000095533599 564141665 /nfs/dbraw/zinc/14/16/65/564141665.db2.gz MBGLCINNZVUAMG-KRWDZBQOSA-N 1 2 336.439 3.826 40 0 EHABLO O[C@](/C=C/c1ccc(Cl)cc1)(Cn1cc[nH+]c1)c1ccccn1 ZINC000022115055 212278276 /nfs/dbraw/zinc/27/82/76/212278276.db2.gz BUULDFYSPJECIW-GFOMBABLSA-N 1 2 325.799 3.533 40 0 EHABLO COc1cccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)c1 ZINC000226255187 242092815 /nfs/dbraw/zinc/09/28/15/242092815.db2.gz GESSDHUCAWWZIH-AWEZNQCLSA-N 1 2 339.439 3.909 40 0 EHABLO COc1cccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)c1 ZINC000226255187 242092818 /nfs/dbraw/zinc/09/28/18/242092818.db2.gz GESSDHUCAWWZIH-AWEZNQCLSA-N 1 2 339.439 3.909 40 0 EHABLO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020486686 212137936 /nfs/dbraw/zinc/13/79/36/212137936.db2.gz ZQGFQAHMBQFCIY-FQEVSTJZSA-N 1 2 349.434 3.655 40 0 EHABLO Cc1nn(C)cc1-c1c[nH+]cn1CCCOc1ccc(Cl)cc1 ZINC000019719425 212056611 /nfs/dbraw/zinc/05/66/11/212056611.db2.gz PIBAFHYJSFIMDO-UHFFFAOYSA-N 1 2 330.819 3.715 40 0 EHABLO CCn1ncc(C[N@@H+](Cc2ccccc2F)C[C@H]2CCCO2)c1C ZINC000019523915 212038089 /nfs/dbraw/zinc/03/80/89/212038089.db2.gz CFXJPNIXHWDAJJ-GOSISDBHSA-N 1 2 331.435 3.532 40 0 EHABLO CCn1ncc(C[N@H+](Cc2ccccc2F)C[C@H]2CCCO2)c1C ZINC000019523915 212038091 /nfs/dbraw/zinc/03/80/91/212038091.db2.gz CFXJPNIXHWDAJJ-GOSISDBHSA-N 1 2 331.435 3.532 40 0 EHABLO CCCn1ncc(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)c1C ZINC000019525909 212037852 /nfs/dbraw/zinc/03/78/52/212037852.db2.gz FKFKKILLUZMKHY-UHFFFAOYSA-N 1 2 339.443 3.864 40 0 EHABLO CCCc1ncc(C[N@@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cn1 ZINC000019525700 212037555 /nfs/dbraw/zinc/03/75/55/212037555.db2.gz YVQMCQWVBPXWPA-SFHVURJKSA-N 1 2 343.446 3.749 40 0 EHABLO CCCc1ncc(C[N@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cn1 ZINC000019525700 212037559 /nfs/dbraw/zinc/03/75/59/212037559.db2.gz YVQMCQWVBPXWPA-SFHVURJKSA-N 1 2 343.446 3.749 40 0 EHABLO c1ccc(-c2cnc(-c3ccncc3)c(C[NH+]3CCOCC3)c2)cc1 ZINC000019373995 212024637 /nfs/dbraw/zinc/02/46/37/212024637.db2.gz IWKRSBIOABJKFE-UHFFFAOYSA-N 1 2 331.419 3.643 40 0 EHABLO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)cc(OC)c1O ZINC000012185868 211313101 /nfs/dbraw/zinc/31/31/01/211313101.db2.gz UVBQUMVUCGWQQL-MRXNPFEDSA-N 1 2 346.427 3.823 40 0 EHABLO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)cc(OC)c1O ZINC000012185868 211313105 /nfs/dbraw/zinc/31/31/05/211313105.db2.gz UVBQUMVUCGWQQL-MRXNPFEDSA-N 1 2 346.427 3.823 40 0 EHABLO CC(C)(C)c1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533474 257701505 /nfs/dbraw/zinc/70/15/05/257701505.db2.gz MUOKEALGDNIJKT-GOSISDBHSA-N 1 2 336.439 3.729 40 0 EHABLO CCCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000216270707 535257988 /nfs/dbraw/zinc/25/79/88/535257988.db2.gz TVRVLMPOMQNOTE-UHFFFAOYSA-N 1 2 335.407 3.591 40 0 EHABLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)o1 ZINC000096049075 563978442 /nfs/dbraw/zinc/97/84/42/563978442.db2.gz MGTORJJRIPVTCK-HXUWFJFHSA-N 1 2 344.430 3.599 40 0 EHABLO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)o1 ZINC000096049075 563978443 /nfs/dbraw/zinc/97/84/43/563978443.db2.gz MGTORJJRIPVTCK-HXUWFJFHSA-N 1 2 344.430 3.599 40 0 EHABLO C[C@H](Sc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031850844 564049999 /nfs/dbraw/zinc/04/99/99/564049999.db2.gz HSFSNKQJWGZIPA-KRWDZBQOSA-N 1 2 340.492 3.512 40 0 EHABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1cccs1 ZINC000257287506 564054778 /nfs/dbraw/zinc/05/47/78/564054778.db2.gz PQGRFPZTVCEZLF-INIZCTEOSA-N 1 2 325.437 3.710 40 0 EHABLO CNc1cc([C@H]2CCCN(C(=O)CCc3cccs3)C2)cc[nH+]1 ZINC000257297107 564054954 /nfs/dbraw/zinc/05/49/54/564054954.db2.gz RFWMLVMIQRUJMF-HNNXBMFYSA-N 1 2 329.469 3.524 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH+]1 ZINC000257342060 564055766 /nfs/dbraw/zinc/05/57/66/564055766.db2.gz ZMXIZXLDMIBKJK-SFHVURJKSA-N 1 2 336.439 3.804 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)cc[nH+]1 ZINC000257341985 564055769 /nfs/dbraw/zinc/05/57/69/564055769.db2.gz ZMPSMQBDHUHYQZ-GOSISDBHSA-N 1 2 335.451 3.543 40 0 EHABLO CC(C)n1cc[nH+]c1[C@@H]1CN(C(=O)c2ccco2)Cc2ccccc21 ZINC000306135386 564062243 /nfs/dbraw/zinc/06/22/43/564062243.db2.gz OPKXMWHWHUWBSV-QGZVFWFLSA-N 1 2 335.407 3.845 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328966938 564071022 /nfs/dbraw/zinc/07/10/22/564071022.db2.gz CPCXNYMJEKIDNT-SNVBAGLBSA-N 1 2 334.826 3.944 40 0 EHABLO CC[C@@H](C)Nc1nc(NCc2cccc(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000329016021 564071575 /nfs/dbraw/zinc/07/15/75/564071575.db2.gz NFEJYRKDQZRVOQ-MRXNPFEDSA-N 1 2 347.466 3.513 40 0 EHABLO Fc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329036878 564071808 /nfs/dbraw/zinc/07/18/08/564071808.db2.gz RKURRTLVOYNVNA-UHFFFAOYSA-N 1 2 326.419 3.825 40 0 EHABLO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000216445249 241191620 /nfs/dbraw/zinc/19/16/20/241191620.db2.gz AXPFGBDXPXEFCM-QGZVFWFLSA-N 1 2 349.434 3.573 40 0 EHABLO CCN1CC[NH+](Cc2ccc3oc(-c4ccccc4F)nc3c2)CC1 ZINC000216789802 241213519 /nfs/dbraw/zinc/21/35/19/241213519.db2.gz YTHNCFOCOYFNDI-UHFFFAOYSA-N 1 2 339.414 3.771 40 0 EHABLO CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020492636 212139243 /nfs/dbraw/zinc/13/92/43/212139243.db2.gz MHEAZHMZAYCPJI-MRXNPFEDSA-N 1 2 349.434 3.518 40 0 EHABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257271457 244379292 /nfs/dbraw/zinc/37/92/92/244379292.db2.gz MYKGKRBBMSBUAY-AWEZNQCLSA-N 1 2 325.437 3.573 40 0 EHABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2ccsc2)cc1 ZINC000257271439 244379030 /nfs/dbraw/zinc/37/90/30/244379030.db2.gz MYILPTMZBLDNDS-QGZVFWFLSA-N 1 2 325.437 3.710 40 0 EHABLO COc1ccc2c(c1)OCC(c1c[nH+]cn1CCCC(C)(C)CO)=C2 ZINC000019719410 212056590 /nfs/dbraw/zinc/05/65/90/212056590.db2.gz GTRGZBKNHCTJRY-UHFFFAOYSA-N 1 2 342.439 3.623 40 0 EHABLO COc1ccccc1C(=O)Nc1cc([NH+]2CCCCC2)c(C)cc1N ZINC000226331631 537001130 /nfs/dbraw/zinc/00/11/30/537001130.db2.gz YXJCBLHBLSCCHS-UHFFFAOYSA-N 1 2 339.439 3.828 40 0 EHABLO C[n+]1ccc(/C=C/c2ccc(O)c3ncccc23)c2cccc(O)c21 ZINC000001713043 563406508 /nfs/dbraw/zinc/40/65/08/563406508.db2.gz FEDLEZSXIPPLHY-UHFFFAOYSA-O 1 2 329.379 3.794 40 0 EHABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cccs2)[nH+]1 ZINC000585182437 563975059 /nfs/dbraw/zinc/97/50/59/563975059.db2.gz VCNGXTZUVSILJB-MRXNPFEDSA-N 1 2 343.496 3.837 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)[nH+]1 ZINC000257330184 564055541 /nfs/dbraw/zinc/05/55/41/564055541.db2.gz XNGCLLJBOPIXPX-CYBMUJFWSA-N 1 2 337.345 3.757 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)[nH+]1 ZINC000257340138 564055785 /nfs/dbraw/zinc/05/57/85/564055785.db2.gz ZESXHEWMYXDQOL-IBGZPJMESA-N 1 2 333.435 3.788 40 0 EHABLO CCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328969885 564071077 /nfs/dbraw/zinc/07/10/77/564071077.db2.gz DFLJUMADQDYICY-UHFFFAOYSA-N 1 2 338.842 3.685 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000328999430 564071437 /nfs/dbraw/zinc/07/14/37/564071437.db2.gz JXCTWSLHJJCGIB-VIFPVBQESA-N 1 2 336.361 3.569 40 0 EHABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000329022614 564071617 /nfs/dbraw/zinc/07/16/17/564071617.db2.gz ONOQDFVNHVCICY-UHFFFAOYSA-N 1 2 335.238 3.823 40 0 EHABLO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000020454820 212132122 /nfs/dbraw/zinc/13/21/22/212132122.db2.gz GHSFXENXEZOZIC-QGZVFWFLSA-N 1 2 349.434 3.573 40 0 EHABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cc[nH+]1 ZINC000257214363 244160441 /nfs/dbraw/zinc/16/04/41/244160441.db2.gz CLSCBEGHVQERPT-SFHVURJKSA-N 1 2 346.434 3.691 40 0 EHABLO Cc1nc2cc(C(=O)N3CCC(Cc4cc[nH+]c(C)c4)CC3)ccc2[nH]1 ZINC000257225808 244199351 /nfs/dbraw/zinc/19/93/51/244199351.db2.gz FHXBFNFJJXNWRA-UHFFFAOYSA-N 1 2 348.450 3.670 40 0 EHABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1Cc1ccc(C)nc1 ZINC000257253940 244275519 /nfs/dbraw/zinc/27/55/19/244275519.db2.gz KAYIJCFNULRTOP-LJQANCHMSA-N 1 2 348.450 3.661 40 0 EHABLO CCCn1nc(C)c(-c2c[nH+]cn2C[C@H](C)n2nc(C)cc2C)c1C ZINC000019654628 212052653 /nfs/dbraw/zinc/05/26/53/212052653.db2.gz UXOVBJCQZNNZRZ-HNNXBMFYSA-N 1 2 340.475 3.848 40 0 EHABLO O=C(c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1)N1CCCCCC1 ZINC000019399735 212026093 /nfs/dbraw/zinc/02/60/93/212026093.db2.gz WAAPVIKHSQXAOC-UHFFFAOYSA-N 1 2 334.423 3.679 40 0 EHABLO O=S(=O)(Cc1ccccc1F)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000158425359 225013056 /nfs/dbraw/zinc/01/30/56/225013056.db2.gz OIRUQBDOQLLXLY-UHFFFAOYSA-N 1 2 348.443 3.758 40 0 EHABLO Cc1ccc(C)c([C@@H](NC(=O)CCCn2cc[nH+]c2)c2ccncc2)c1 ZINC000019132227 563854309 /nfs/dbraw/zinc/85/43/09/563854309.db2.gz JTUNFTAHKJZSAD-NRFANRHFSA-N 1 2 348.450 3.581 40 0 EHABLO Cc1cccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044909779 563928315 /nfs/dbraw/zinc/92/83/15/563928315.db2.gz FIJPYSYHHVKAOR-UHFFFAOYSA-N 1 2 333.435 3.602 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000107798653 563984176 /nfs/dbraw/zinc/98/41/76/563984176.db2.gz JQGPZAGEFNVBAO-QAPCUYQASA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000107798653 563984177 /nfs/dbraw/zinc/98/41/77/563984177.db2.gz JQGPZAGEFNVBAO-QAPCUYQASA-N 1 2 341.842 3.688 40 0 EHABLO CN(C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212591 563984476 /nfs/dbraw/zinc/98/44/76/563984476.db2.gz JHDHJDWKOALAIA-KRWDZBQOSA-N 1 2 325.412 3.621 40 0 EHABLO CCc1cc2cc(C)cc(C)c2nc1SCC[NH+]1CCOCC1 ZINC000026440391 564039708 /nfs/dbraw/zinc/03/97/08/564039708.db2.gz GSESEQDKQOLVEO-UHFFFAOYSA-N 1 2 330.497 3.838 40 0 EHABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328957652 564070941 /nfs/dbraw/zinc/07/09/41/564070941.db2.gz AKJWZKQJSDJDAO-UHFFFAOYSA-N 1 2 326.419 3.743 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2OC)cc(C2CC2)[nH+]1 ZINC000328961438 564070980 /nfs/dbraw/zinc/07/09/80/564070980.db2.gz BCVPPUXHSRKRQD-LLVKDONJSA-N 1 2 346.862 3.814 40 0 EHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000329070313 564072171 /nfs/dbraw/zinc/07/21/71/564072171.db2.gz ZGCQDZVMAFTCKM-KRWDZBQOSA-N 1 2 326.444 3.835 40 0 EHABLO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000095534892 564141678 /nfs/dbraw/zinc/14/16/78/564141678.db2.gz PYUNSQUXYBPGFH-AWEZNQCLSA-N 1 2 332.329 3.733 40 0 EHABLO COc1ccc(-c2nc(Nc3ccc(F)cc3)cc(N)[nH+]2)cc1OC ZINC000049468153 214010270 /nfs/dbraw/zinc/01/02/70/214010270.db2.gz CVRMPDAHLFJVPV-UHFFFAOYSA-N 1 2 340.358 3.626 40 0 EHABLO COc1ccc(-c2nc(N)cc(Nc3ccc(F)cc3)[nH+]2)cc1OC ZINC000049468153 214010273 /nfs/dbraw/zinc/01/02/73/214010273.db2.gz CVRMPDAHLFJVPV-UHFFFAOYSA-N 1 2 340.358 3.626 40 0 EHABLO CC(C)[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000004230355 210148591 /nfs/dbraw/zinc/14/85/91/210148591.db2.gz CQUCRFSFRMPPLR-IBGZPJMESA-N 1 2 339.487 3.934 40 0 aggregator EHABLO CC(C)[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000004230355 210148594 /nfs/dbraw/zinc/14/85/94/210148594.db2.gz CQUCRFSFRMPPLR-IBGZPJMESA-N 1 2 339.487 3.934 40 0 aggregator EHABLO CC(C)Cc1cc(CC2([NH2+]Cc3ccccc3Cl)COC2)no1 ZINC000067898206 215246188 /nfs/dbraw/zinc/24/61/88/215246188.db2.gz SUBSUBYHADWURY-UHFFFAOYSA-N 1 2 334.847 3.628 40 0 biogenic,in-vitro EHABLO Cc1cccc([C@@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)[nH+]1 ZINC000072325824 216152894 /nfs/dbraw/zinc/15/28/94/216152894.db2.gz UJUIHYOODCMGQZ-OAQYLSRUSA-N 1 2 344.462 3.733 40 0 EHABLO Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)s1 ZINC000072375529 216179699 /nfs/dbraw/zinc/17/96/99/216179699.db2.gz VYVVQCAOCOTZRU-AWEZNQCLSA-N 1 2 340.456 3.650 40 0 EHABLO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ncc[nH]3)n2)s1 ZINC000072375529 216179703 /nfs/dbraw/zinc/17/97/03/216179703.db2.gz VYVVQCAOCOTZRU-AWEZNQCLSA-N 1 2 340.456 3.650 40 0 EHABLO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ncc[nH]3)n2)s1 ZINC000072375529 216179706 /nfs/dbraw/zinc/17/97/06/216179706.db2.gz VYVVQCAOCOTZRU-AWEZNQCLSA-N 1 2 340.456 3.650 40 0 EHABLO O[C@@](/C=C/c1ccc(Cl)cc1)(Cn1cc[nH+]c1)c1ccccn1 ZINC000022115059 212278247 /nfs/dbraw/zinc/27/82/47/212278247.db2.gz BUULDFYSPJECIW-BLGFXRMMSA-N 1 2 325.799 3.533 40 0 EHABLO CCNc1nc(Nc2ccccc2SC)cc(-c2ccccc2)[nH+]1 ZINC000329003948 257906886 /nfs/dbraw/zinc/90/68/86/257906886.db2.gz KPOWGBZZZOVRQC-UHFFFAOYSA-N 1 2 336.464 3.885 40 0 EHABLO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030941304 563911793 /nfs/dbraw/zinc/91/17/93/563911793.db2.gz KHLREZGGQMWKGR-UHFFFAOYSA-N 1 2 335.451 3.630 40 0 EHABLO CCNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213069 563984544 /nfs/dbraw/zinc/98/45/44/563984544.db2.gz NZBNUMRMSAVEKJ-KRWDZBQOSA-N 1 2 325.412 3.987 40 0 EHABLO CC(C)Oc1cccc(CCCNC(=S)Nc2cc[nH+]cc2)c1 ZINC000225566826 564047864 /nfs/dbraw/zinc/04/78/64/564047864.db2.gz BFQSYYKDOQHEJM-UHFFFAOYSA-N 1 2 329.469 3.788 40 0 EHABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3ncccc3c2)cc[nH+]1 ZINC000257287270 564054732 /nfs/dbraw/zinc/05/47/32/564054732.db2.gz PPFQWPLMWAVGIQ-SFHVURJKSA-N 1 2 332.407 3.649 40 0 EHABLO CNc1cc([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)cc[nH+]1 ZINC000257286765 564054738 /nfs/dbraw/zinc/05/47/38/564054738.db2.gz PMYHFFPXRSPLKD-QGZVFWFLSA-N 1 2 346.434 3.691 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)cc[nH+]1 ZINC000257341717 564055787 /nfs/dbraw/zinc/05/57/87/564055787.db2.gz ZLOZKCULDZRVMO-GOSISDBHSA-N 1 2 332.407 3.649 40 0 EHABLO CC(C)n1cc[nH+]c1[C@@H]1CN(C(=O)Cc2ccco2)Cc2ccccc21 ZINC000306136519 564062241 /nfs/dbraw/zinc/06/22/41/564062241.db2.gz PVTKZRQEYCJWNK-LJQANCHMSA-N 1 2 349.434 3.774 40 0 EHABLO c1ccc(N2N=N[C@H]3C4CC([C@@H]5[C@@H]4N=[NH+]N5c4ccccc4)[C@@H]32)cc1 ZINC000004721935 210260406 /nfs/dbraw/zinc/26/04/06/210260406.db2.gz GXZOSPLKQHPMGJ-ZNJOBHTLSA-N 1 2 330.395 3.885 40 0 EHABLO Oc1ccc2nc(C[NH+]3CCC(Cc4ccccc4F)CC3)[nH]c2c1 ZINC000003820049 210076648 /nfs/dbraw/zinc/07/66/48/210076648.db2.gz RJZREMJRJAYQCL-UHFFFAOYSA-N 1 2 339.414 3.862 40 0 in-vitro EHABLO CNc1cc([C@@H]2CCCN2C(=O)COc2ccccc2Cl)cc[nH+]1 ZINC000257211725 244153555 /nfs/dbraw/zinc/15/35/55/244153555.db2.gz CADMOHFOASTCPH-HNNXBMFYSA-N 1 2 345.830 3.519 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)[nH+]1 ZINC000257237383 244232715 /nfs/dbraw/zinc/23/27/15/244232715.db2.gz HGFWQUFUQUTXDP-INIZCTEOSA-N 1 2 337.423 3.803 40 0 EHABLO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020044800 212097339 /nfs/dbraw/zinc/09/73/39/212097339.db2.gz OYAREDDCJSLCSW-IBGZPJMESA-N 1 2 349.434 3.655 40 0 EHABLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019334114 212016405 /nfs/dbraw/zinc/01/64/05/212016405.db2.gz VGIQRFUCVGYBMA-OAHLLOKOSA-N 1 2 341.802 3.517 40 0 EHABLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019334114 212016410 /nfs/dbraw/zinc/01/64/10/212016410.db2.gz VGIQRFUCVGYBMA-OAHLLOKOSA-N 1 2 341.802 3.517 40 0 EHABLO O=C(NC1CCCCC1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000012088104 211289306 /nfs/dbraw/zinc/28/93/06/211289306.db2.gz LYGQDUQXDQGTJL-UHFFFAOYSA-N 1 2 334.423 3.726 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)cc[nH+]1 ZINC000257261542 536145119 /nfs/dbraw/zinc/14/51/19/536145119.db2.gz LHUFJJJJWAXMOW-MRXNPFEDSA-N 1 2 343.496 3.548 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc3ncccc3c2)cc[nH+]1 ZINC000257268205 536145556 /nfs/dbraw/zinc/14/55/56/536145556.db2.gz MKRUWKOTPDKKEB-IBGZPJMESA-N 1 2 346.434 3.673 40 0 EHABLO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044901376 563927819 /nfs/dbraw/zinc/92/78/19/563927819.db2.gz FIPKOCYXHWDTQL-IBGZPJMESA-N 1 2 349.434 3.655 40 0 EHABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1 ZINC000096057911 563978776 /nfs/dbraw/zinc/97/87/76/563978776.db2.gz QPMTZIOQDGQWPT-XUVXKRRUSA-N 1 2 333.447 3.764 40 0 EHABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1 ZINC000096057911 563978777 /nfs/dbraw/zinc/97/87/77/563978777.db2.gz QPMTZIOQDGQWPT-XUVXKRRUSA-N 1 2 333.447 3.764 40 0 EHABLO CCc1cc2c(C)ccc(C)c2nc1SCC[NH+]1CCOCC1 ZINC000026440395 564039702 /nfs/dbraw/zinc/03/97/02/564039702.db2.gz GQBLCYWRCRANDJ-UHFFFAOYSA-N 1 2 330.497 3.838 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)cc[nH+]1 ZINC000257301863 564055098 /nfs/dbraw/zinc/05/50/98/564055098.db2.gz SAGPXGZAKNSZGJ-IBGZPJMESA-N 1 2 346.434 3.673 40 0 EHABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226253240 564117253 /nfs/dbraw/zinc/11/72/53/564117253.db2.gz SEUMNDCRYWHYMG-UHFFFAOYSA-N 1 2 339.439 3.585 40 0 EHABLO Cc1cc(CNC(=O)N2Cc3ccccc3OC(C)(C)C2)cc(C)[nH+]1 ZINC000516640894 1021611129 /nfs/dbraw/zinc/61/11/29/1021611129.db2.gz BWZXRHWGTJASET-UHFFFAOYSA-N 1 2 339.439 3.581 40 0 EHABLO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+]3Cc3c[nH]cn3)ccn2)n1 ZINC000257227245 244203857 /nfs/dbraw/zinc/20/38/57/244203857.db2.gz FOHDQSFBTNFOOZ-QGZVFWFLSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccc(Nc2cc([C@H]3CCC[N@H+]3Cc3c[nH]cn3)ccn2)n1 ZINC000257227245 244203863 /nfs/dbraw/zinc/20/38/63/244203863.db2.gz FOHDQSFBTNFOOZ-QGZVFWFLSA-N 1 2 334.427 3.589 40 0 EHABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1ccsc1 ZINC000257255762 537105699 /nfs/dbraw/zinc/10/56/99/537105699.db2.gz KISQZHWFUZRAAI-INIZCTEOSA-N 1 2 325.437 3.710 40 0 EHABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1Cc1ccc(C)nc1 ZINC000257253939 537105766 /nfs/dbraw/zinc/10/57/66/537105766.db2.gz KAYIJCFNULRTOP-IBGZPJMESA-N 1 2 348.450 3.661 40 0 EHABLO CC(C)n1c2ccccc2nc1C[N@H+](CCO)Cc1cccs1 ZINC000013997501 563982429 /nfs/dbraw/zinc/98/24/29/563982429.db2.gz SRVWFDALVXUYLJ-UHFFFAOYSA-N 1 2 329.469 3.673 40 0 EHABLO CC(C)n1c2ccccc2nc1C[N@@H+](CCO)Cc1cccs1 ZINC000013997501 563982430 /nfs/dbraw/zinc/98/24/30/563982430.db2.gz SRVWFDALVXUYLJ-UHFFFAOYSA-N 1 2 329.469 3.673 40 0 EHABLO CN(Cc1ccccc1)c1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225364 563985872 /nfs/dbraw/zinc/98/58/72/563985872.db2.gz SVHOWLWMFNVKOQ-UHFFFAOYSA-N 1 2 327.428 3.743 40 0 EHABLO CSc1ccc2cc(CNc3ccc([NH+](C)C)cc3)c(=O)[nH]c2c1 ZINC000013561312 564020238 /nfs/dbraw/zinc/02/02/38/564020238.db2.gz PTAXZSVSGIFLDO-UHFFFAOYSA-N 1 2 339.464 3.928 40 0 EHABLO COc1ccc2nc3c(cc2c1)C[N@@H+](CCc1ccccc1)CCO3 ZINC000057709667 564035061 /nfs/dbraw/zinc/03/50/61/564035061.db2.gz CHACEQWVGMGJCS-UHFFFAOYSA-N 1 2 334.419 3.681 40 0 EHABLO COc1ccc2nc3c(cc2c1)C[N@H+](CCc1ccccc1)CCO3 ZINC000057709667 564035062 /nfs/dbraw/zinc/03/50/62/564035062.db2.gz CHACEQWVGMGJCS-UHFFFAOYSA-N 1 2 334.419 3.681 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cccc3ncccc32)cc[nH+]1 ZINC000257287367 564054745 /nfs/dbraw/zinc/05/47/45/564054745.db2.gz PPPPDVHBYNIRKQ-IBGZPJMESA-N 1 2 346.434 3.673 40 0 EHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000328987638 564071284 /nfs/dbraw/zinc/07/12/84/564071284.db2.gz ICHVZHSRQNIJSO-MRXNPFEDSA-N 1 2 346.862 3.602 40 0 EHABLO Cn1ncc2c1nc[nH+]c2N[C@H](COc1ccccc1)c1ccccc1 ZINC000337867006 1138685764 /nfs/dbraw/zinc/68/57/64/1138685764.db2.gz LGIUYEREPYDOKD-GOSISDBHSA-N 1 2 345.406 3.596 40 0 EHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072379214 216180272 /nfs/dbraw/zinc/18/02/72/216180272.db2.gz XUPKGOMCSTVCTF-INIZCTEOSA-N 1 2 348.454 3.565 40 0 EHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378947 216181233 /nfs/dbraw/zinc/18/12/33/216181233.db2.gz SPPOLCBUFGPSSI-QGZVFWFLSA-N 1 2 338.455 3.683 40 0 EHABLO O=C1N[C@@H](c2ccccc2)[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000073297937 216375056 /nfs/dbraw/zinc/37/50/56/216375056.db2.gz NCBPYFZKSGGZGP-VXKWHMMOSA-N 1 2 342.442 3.929 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)[nH+]1 ZINC000257230141 244208998 /nfs/dbraw/zinc/20/89/98/244208998.db2.gz GAZPKGFDRZINAR-AWEZNQCLSA-N 1 2 325.437 3.921 40 0 EHABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)CC2CCCC2)c1 ZINC000257255863 244282840 /nfs/dbraw/zinc/28/28/40/244282840.db2.gz KJEZJQHFBYSHHT-SFHVURJKSA-N 1 2 339.439 3.556 40 0 EHABLO CCOc1cc(/C=C2/[C@H](O)C3CC[NH+]2CC3)cc(Cl)c1OCC ZINC000015017023 563772750 /nfs/dbraw/zinc/77/27/50/563772750.db2.gz HDBLETFAKODFPF-XBNGYDHASA-N 1 2 337.847 3.565 40 0 EHABLO CCOC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2cn(CC3CC3)nc21 ZINC000096059969 563978912 /nfs/dbraw/zinc/97/89/12/563978912.db2.gz KMQZQZLZQHGCLT-GOSISDBHSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2cn(CC3CC3)nc21 ZINC000096059969 563978913 /nfs/dbraw/zinc/97/89/13/563978913.db2.gz KMQZQZLZQHGCLT-GOSISDBHSA-N 1 2 343.446 3.568 40 0 EHABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@]12CCN(c1ccccc1)C2 ZINC000096078136 563979132 /nfs/dbraw/zinc/97/91/32/563979132.db2.gz ZUOLUFGXXLAPCM-KRWDZBQOSA-N 1 2 349.450 3.881 40 0 EHABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@]12CCN(c1ccccc1)C2 ZINC000096078136 563979133 /nfs/dbraw/zinc/97/91/33/563979133.db2.gz ZUOLUFGXXLAPCM-KRWDZBQOSA-N 1 2 349.450 3.881 40 0 EHABLO Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216759 563980307 /nfs/dbraw/zinc/98/03/07/563980307.db2.gz NIYGHARGBHGCAG-IBGZPJMESA-N 1 2 341.480 3.584 40 0 EHABLO Cc1ccc(CS(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000096659633 563981045 /nfs/dbraw/zinc/98/10/45/563981045.db2.gz ISIHSSWAPQAEAC-UHFFFAOYSA-N 1 2 344.480 3.927 40 0 EHABLO Cc1ccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000222566789 564036990 /nfs/dbraw/zinc/03/69/90/564036990.db2.gz HPYNOJPFIABBKV-RMKNXTFCSA-N 1 2 348.490 3.704 40 0 EHABLO CC(C)(Cc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224895719 564043863 /nfs/dbraw/zinc/04/38/63/564043863.db2.gz OBKMMYAOQLSYSE-UHFFFAOYSA-N 1 2 333.435 3.683 40 0 EHABLO O=C(CCc1ccc(F)cc1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257282085 564054673 /nfs/dbraw/zinc/05/46/73/564054673.db2.gz OSGODAQGQHOLHS-LJQANCHMSA-N 1 2 349.409 3.739 40 0 EHABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1cccs1 ZINC000257287507 564054802 /nfs/dbraw/zinc/05/48/02/564054802.db2.gz PQGRFPZTVCEZLF-MRXNPFEDSA-N 1 2 325.437 3.710 40 0 EHABLO Cc1ccc(CC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)s1 ZINC000257292167 564054857 /nfs/dbraw/zinc/05/48/57/564054857.db2.gz QKHAWHLMWUKDDA-KRWDZBQOSA-N 1 2 337.448 3.579 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257309827 564055278 /nfs/dbraw/zinc/05/52/78/564055278.db2.gz UCNWQANEXDNNMM-CQSZACIVSA-N 1 2 325.437 3.953 40 0 EHABLO CCN(CC)[PH](c1ccccc1O)(N(CC)CC)[NH+](CC)CC ZINC000301054461 564061043 /nfs/dbraw/zinc/06/10/43/564061043.db2.gz RDGNRDDGMKHYJH-UHFFFAOYSA-N 1 2 340.472 3.806 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329005846 564071412 /nfs/dbraw/zinc/07/14/12/564071412.db2.gz KZJQHGDUVRCZQL-JTQLQIEISA-N 1 2 334.826 3.944 40 0 EHABLO CC(C)(C)Nc1nc(NCCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000329029272 564071683 /nfs/dbraw/zinc/07/16/83/564071683.db2.gz PYTZKBWKGKYLPN-UHFFFAOYSA-N 1 2 347.466 3.826 40 0 EHABLO Fc1ccc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1F ZINC000329050659 564071944 /nfs/dbraw/zinc/07/19/44/564071944.db2.gz UUGTUBPVLVNZCR-UHFFFAOYSA-N 1 2 348.372 3.713 40 0 EHABLO Cc1ccc(Nc2nc([C@H]3CCCN3Cc3c[nH+]c[nH]3)cs2)nc1 ZINC000257290400 564134850 /nfs/dbraw/zinc/13/48/50/564134850.db2.gz QCUYPAUDCIXGON-OAHLLOKOSA-N 1 2 340.456 3.650 40 0 EHABLO Cc1ccc(Nc2nc([C@H]3CCCN3Cc3c[nH]c[nH+]3)cs2)nc1 ZINC000257290400 564134851 /nfs/dbraw/zinc/13/48/51/564134851.db2.gz QCUYPAUDCIXGON-OAHLLOKOSA-N 1 2 340.456 3.650 40 0 EHABLO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020485192 212137862 /nfs/dbraw/zinc/13/78/62/212137862.db2.gz UYCMDYRGFRQHIG-FQEVSTJZSA-N 1 2 349.434 3.655 40 0 EHABLO O=C(c1cnc2ccccc2c1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257212234 244152535 /nfs/dbraw/zinc/15/25/35/244152535.db2.gz CCLQJZBABSSBJW-IBGZPJMESA-N 1 2 342.402 3.860 40 0 EHABLO Cc1nc([C@@]2(C)CCC[N@H+](Cc3cscn3)C2)c2sccn12 ZINC000257222308 244187386 /nfs/dbraw/zinc/18/73/86/244187386.db2.gz DSURZPGBYAAIPU-INIZCTEOSA-N 1 2 332.498 3.714 40 0 EHABLO Cc1nc([C@@]2(C)CCC[N@@H+](Cc3cscn3)C2)c2sccn12 ZINC000257222308 244187392 /nfs/dbraw/zinc/18/73/92/244187392.db2.gz DSURZPGBYAAIPU-INIZCTEOSA-N 1 2 332.498 3.714 40 0 EHABLO O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000078656056 217097234 /nfs/dbraw/zinc/09/72/34/217097234.db2.gz NLPVEAYVZLXVGJ-OWCLPIDISA-N 1 2 329.831 3.920 40 0 EHABLO Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329045927 257902802 /nfs/dbraw/zinc/90/28/02/257902802.db2.gz TXJZEBGVCRBCHS-UHFFFAOYSA-N 1 2 328.847 3.786 40 0 EHABLO Cc1nn(C)c(C)c1CCn1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019719993 563856505 /nfs/dbraw/zinc/85/65/05/563856505.db2.gz KBWQURYFNSEONJ-UHFFFAOYSA-N 1 2 349.482 3.526 40 0 EHABLO CCOC(=O)C1=C(C)n2c3ccccc3[nH+]c2N[C@@H]1c1ccccc1 ZINC000008306554 564035168 /nfs/dbraw/zinc/03/51/68/564035168.db2.gz XFXFVIPADDULLJ-GOSISDBHSA-N 1 2 333.391 3.997 40 0 EHABLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCC2 ZINC000223253692 564039412 /nfs/dbraw/zinc/03/94/12/564039412.db2.gz GHUYRDZWYXTOBK-MRXNPFEDSA-N 1 2 345.446 3.911 40 0 EHABLO Cc1cccc(C[N@H+]2Cc3cccn3[C@H](CCOCC3CC3)C2)n1 ZINC000247867173 564052794 /nfs/dbraw/zinc/05/27/94/564052794.db2.gz JJKBASZROWRKIA-HXUWFJFHSA-N 1 2 325.456 3.565 40 0 EHABLO Cc1cccc(C[N@@H+]2Cc3cccn3[C@H](CCOCC3CC3)C2)n1 ZINC000247867173 564052795 /nfs/dbraw/zinc/05/27/95/564052795.db2.gz JJKBASZROWRKIA-HXUWFJFHSA-N 1 2 325.456 3.565 40 0 EHABLO c1cc2ccc(C[C@H]3COCC[N@H+](Cc4cscn4)C3)cc2o1 ZINC000257279504 564054647 /nfs/dbraw/zinc/05/46/47/564054647.db2.gz OGXYPCMQBKTEEX-OAHLLOKOSA-N 1 2 328.437 3.580 40 0 EHABLO c1cc2ccc(C[C@H]3COCC[N@@H+](Cc4cscn4)C3)cc2o1 ZINC000257279504 564054648 /nfs/dbraw/zinc/05/46/48/564054648.db2.gz OGXYPCMQBKTEEX-OAHLLOKOSA-N 1 2 328.437 3.580 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCCC3)[nH+]1 ZINC000257318294 564055342 /nfs/dbraw/zinc/05/53/42/564055342.db2.gz VNGOYKXDLJXVOG-LJQANCHMSA-N 1 2 337.467 3.514 40 0 EHABLO CNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccc2)[nH+]1 ZINC000329012083 564071506 /nfs/dbraw/zinc/07/15/06/564071506.db2.gz MIQXCOZZXXVCAU-UHFFFAOYSA-N 1 2 328.778 3.565 40 0 EHABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1 ZINC000095533721 564141650 /nfs/dbraw/zinc/14/16/50/564141650.db2.gz TVRMGGHNFFJZHE-CQSZACIVSA-N 1 2 348.328 3.547 40 0 EHABLO Cc1nc2sccn2c1CN1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257249320 244264911 /nfs/dbraw/zinc/26/49/11/244264911.db2.gz JHQYLOAZNXOCOM-KRWDZBQOSA-N 1 2 349.463 3.658 40 0 EHABLO CC(C)c1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020048399 212097708 /nfs/dbraw/zinc/09/77/08/212097708.db2.gz CGMYPMDHPFSMPU-UHFFFAOYSA-N 1 2 349.434 3.691 40 0 EHABLO Cc1sc(NC(=O)CCCn2cc[nH+]c2)nc1-c1ccc(F)cc1 ZINC000019555554 212040703 /nfs/dbraw/zinc/04/07/03/212040703.db2.gz DGRHDQHKTNITCT-UHFFFAOYSA-N 1 2 344.415 3.873 40 0 EHABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cn1nc(-c3cccs3)ccc1=O)C2 ZINC000079488738 217232777 /nfs/dbraw/zinc/23/27/77/217232777.db2.gz OLDIXQFWYWOBEE-AUUYWEPGSA-N 1 2 343.496 3.830 40 0 EHABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cn1nc(-c3cccs3)ccc1=O)C2 ZINC000079488738 217232780 /nfs/dbraw/zinc/23/27/80/217232780.db2.gz OLDIXQFWYWOBEE-AUUYWEPGSA-N 1 2 343.496 3.830 40 0 EHABLO CCc1[nH+]c2cc(NC(=O)c3csc(C(C)=O)c3)ccc2n1C ZINC000012116906 211296283 /nfs/dbraw/zinc/29/62/83/211296283.db2.gz JIZRTWWYAGHJLB-UHFFFAOYSA-N 1 2 327.409 3.652 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080603 218580015 /nfs/dbraw/zinc/58/00/15/218580015.db2.gz JQGPZAGEFNVBAO-MAUKXSAKSA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080603 218580018 /nfs/dbraw/zinc/58/00/18/218580018.db2.gz JQGPZAGEFNVBAO-MAUKXSAKSA-N 1 2 341.842 3.688 40 0 EHABLO COc1ccc(-c2nc(N3CCC[C@@H](C)C3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761968 536523726 /nfs/dbraw/zinc/52/37/26/536523726.db2.gz LQEKTDYKFIIUDT-CQSZACIVSA-N 1 2 349.438 3.779 40 0 EHABLO COc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1 ZINC000226255247 536776651 /nfs/dbraw/zinc/77/66/51/536776651.db2.gz SEHCPWVXYZFOIB-UHFFFAOYSA-N 1 2 339.439 3.766 40 0 EHABLO COc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](c2cnc(C)cn2)C1 ZINC000257336350 537042636 /nfs/dbraw/zinc/04/26/36/537042636.db2.gz YOAWKBUTSUPFSP-NRFANRHFSA-N 1 2 349.434 3.520 40 0 EHABLO COc1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2cnc(C)cn2)C1 ZINC000257336350 537042639 /nfs/dbraw/zinc/04/26/39/537042639.db2.gz YOAWKBUTSUPFSP-NRFANRHFSA-N 1 2 349.434 3.520 40 0 EHABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000044936492 563928540 /nfs/dbraw/zinc/92/85/40/563928540.db2.gz ZGQPLRFFDQGURQ-HXUWFJFHSA-N 1 2 349.434 3.821 40 0 EHABLO CN(C)c1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212651 563984516 /nfs/dbraw/zinc/98/45/16/563984516.db2.gz MFOVXFUJJNOEMP-KRWDZBQOSA-N 1 2 325.412 3.621 40 0 EHABLO COc1ccccc1CNC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219851896 564035508 /nfs/dbraw/zinc/03/55/08/564035508.db2.gz KEGZTTDUIARXNS-UHFFFAOYSA-N 1 2 338.451 3.536 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000257278807 564054581 /nfs/dbraw/zinc/05/45/81/564054581.db2.gz ODTAFBVIYUHCGO-MRXNPFEDSA-N 1 2 336.439 3.538 40 0 EHABLO O=C(CCc1ccc(F)cc1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257282084 564054662 /nfs/dbraw/zinc/05/46/62/564054662.db2.gz OSGODAQGQHOLHS-IBGZPJMESA-N 1 2 349.409 3.739 40 0 EHABLO Cc1cc(N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)nc[nH+]1 ZINC000257289839 564054797 /nfs/dbraw/zinc/05/47/97/564054797.db2.gz QAKFIXFQLFLJOX-QGZVFWFLSA-N 1 2 338.386 3.844 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH+]1 ZINC000257312133 564055261 /nfs/dbraw/zinc/05/52/61/564055261.db2.gz UMPUOGSGYYYFNO-HXUWFJFHSA-N 1 2 347.462 3.830 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000257319952 564055406 /nfs/dbraw/zinc/05/54/06/564055406.db2.gz VUSSHGCNUTURPZ-QGZVFWFLSA-N 1 2 337.402 3.651 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000257319952 564055407 /nfs/dbraw/zinc/05/54/07/564055407.db2.gz VUSSHGCNUTURPZ-QGZVFWFLSA-N 1 2 337.402 3.651 40 0 EHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1F ZINC000329004813 564071439 /nfs/dbraw/zinc/07/14/39/564071439.db2.gz KUEGHJYQXDZQBM-UHFFFAOYSA-N 1 2 336.414 3.999 40 0 EHABLO Cc1c(Cl)cccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038754146 213223514 /nfs/dbraw/zinc/22/35/14/213223514.db2.gz HZJMALANTIMNCW-UHFFFAOYSA-N 1 2 344.842 3.733 40 0 EHABLO C[C@@H](c1nccs1)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000072203851 216069109 /nfs/dbraw/zinc/06/91/09/216069109.db2.gz HYOHYHVBRSKCIP-LBPRGKRZSA-N 1 2 325.478 3.535 40 0 EHABLO COc1cc(CNCC[NH+](C)C)ccc1OCc1cccc(Cl)c1 ZINC000022074924 212277062 /nfs/dbraw/zinc/27/70/62/212277062.db2.gz YJKDZAPPMZTYAM-UHFFFAOYSA-N 1 2 348.874 3.579 40 0 EHABLO Clc1cccc(-c2nc3cc(C[NH+]4CCOCC4)ccc3o2)c1 ZINC000216840315 241213168 /nfs/dbraw/zinc/21/31/68/241213168.db2.gz PWJUUDUZPZAHBI-UHFFFAOYSA-N 1 2 328.799 3.980 40 0 EHABLO CCN1CC[NH+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 ZINC000216840449 241213715 /nfs/dbraw/zinc/21/37/15/241213715.db2.gz GWUWNUNBEHJCHF-UHFFFAOYSA-N 1 2 339.414 3.771 40 0 EHABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257271458 244380547 /nfs/dbraw/zinc/38/05/47/244380547.db2.gz MYKGKRBBMSBUAY-CQSZACIVSA-N 1 2 325.437 3.573 40 0 EHABLO C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C1 ZINC000012088111 211289278 /nfs/dbraw/zinc/28/92/78/211289278.db2.gz CXOXRZZLVKHJRX-CALCHBBNSA-N 1 2 348.450 3.781 40 0 EHABLO Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329015488 257905741 /nfs/dbraw/zinc/90/57/41/257905741.db2.gz NBPMUWJDRPBIOW-UHFFFAOYSA-N 1 2 344.846 3.655 40 0 EHABLO C(=C(/c1nnnn1-c1ccccc1)c1ccccc1)\[NH+]1CCCCC1 ZINC000016450702 563812092 /nfs/dbraw/zinc/81/20/92/563812092.db2.gz HGUFWZBLWFNOPJ-KNTRCKAVSA-N 1 2 331.423 3.537 40 0 EHABLO CCOC[C@H]1C[N@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096198190 563980101 /nfs/dbraw/zinc/98/01/01/563980101.db2.gz XEAJPGUDPQSOBN-GOSISDBHSA-N 1 2 343.471 3.802 40 0 EHABLO CCOC[C@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096198190 563980102 /nfs/dbraw/zinc/98/01/02/563980102.db2.gz XEAJPGUDPQSOBN-GOSISDBHSA-N 1 2 343.471 3.802 40 0 EHABLO COc1cccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000000808013 563999264 /nfs/dbraw/zinc/99/92/64/563999264.db2.gz OLDPNKGSBPLIDB-HNNXBMFYSA-N 1 2 340.423 3.608 40 0 EHABLO COc1ccc2c(c1)[C@@H](NC(=S)Nc1cc[nH+]cc1)CC(C)(C)O2 ZINC000225684842 564049362 /nfs/dbraw/zinc/04/93/62/564049362.db2.gz VPVLMVMGEYGBGL-HNNXBMFYSA-N 1 2 343.452 3.679 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)[nH+]1 ZINC000257297837 564054991 /nfs/dbraw/zinc/05/49/91/564054991.db2.gz RIYOKBLKDXTHSU-OAHLLOKOSA-N 1 2 342.443 3.774 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000257304960 564055166 /nfs/dbraw/zinc/05/51/66/564055166.db2.gz SNWXYIBUIMVXHC-MRXNPFEDSA-N 1 2 345.874 3.721 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2nccc3ccccc32)cc[nH+]1 ZINC000257337271 564055700 /nfs/dbraw/zinc/05/57/00/564055700.db2.gz YSCLOYGEKICXOE-GOSISDBHSA-N 1 2 346.434 3.673 40 0 EHABLO Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328959981 564070946 /nfs/dbraw/zinc/07/09/46/564070946.db2.gz AVYLOKVJYFPQPH-UHFFFAOYSA-N 1 2 328.847 3.786 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2OC)cc(C2CC2)[nH+]1 ZINC000328961440 564070971 /nfs/dbraw/zinc/07/09/71/564070971.db2.gz BCVPPUXHSRKRQD-NSHDSACASA-N 1 2 346.862 3.814 40 0 EHABLO CC(C)(C)Nc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000328976779 564071170 /nfs/dbraw/zinc/07/11/70/564071170.db2.gz FPSXFTKNCSDDHT-UHFFFAOYSA-N 1 2 339.468 3.845 40 0 EHABLO CC(C)(C)Nc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000328983196 564071260 /nfs/dbraw/zinc/07/12/60/564071260.db2.gz HEVATSIJTARFHR-UHFFFAOYSA-N 1 2 339.468 3.845 40 0 EHABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(NC(C)C)n3)ccc2s1 ZINC000329033284 564071766 /nfs/dbraw/zinc/07/17/66/564071766.db2.gz QTEHUVMJORDTNG-UHFFFAOYSA-N 1 2 339.468 3.680 40 0 EHABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)COc1ccccc1 ZINC000226253279 564117243 /nfs/dbraw/zinc/11/72/43/564117243.db2.gz YQTCHURKTZBSIW-HNNXBMFYSA-N 1 2 339.439 3.665 40 0 EHABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)COc1ccccc1 ZINC000226253279 564117244 /nfs/dbraw/zinc/11/72/44/564117244.db2.gz YQTCHURKTZBSIW-HNNXBMFYSA-N 1 2 339.439 3.665 40 0 EHABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)c1 ZINC000095533598 564141633 /nfs/dbraw/zinc/14/16/33/564141633.db2.gz MBGLCINNZVUAMG-QGZVFWFLSA-N 1 2 336.439 3.826 40 0 EHABLO COc1cccc([C@@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000095533598 564141634 /nfs/dbraw/zinc/14/16/34/564141634.db2.gz MBGLCINNZVUAMG-QGZVFWFLSA-N 1 2 336.439 3.826 40 0 EHABLO CC[N@H+](CCCNC(=S)Nc1ccc(C)cn1)c1ccc(C)cc1 ZINC000225735106 242009803 /nfs/dbraw/zinc/00/98/03/242009803.db2.gz NUINIBVTKPAEKP-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO CC[N@@H+](CCCNC(=S)Nc1ccc(C)cn1)c1ccc(C)cc1 ZINC000225735106 242009808 /nfs/dbraw/zinc/00/98/08/242009808.db2.gz NUINIBVTKPAEKP-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO O=C(c1cnc2ccccc2c1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257212235 244152953 /nfs/dbraw/zinc/15/29/53/244152953.db2.gz CCLQJZBABSSBJW-LJQANCHMSA-N 1 2 342.402 3.860 40 0 EHABLO C[C@@H]1[C@@H](C)CCC[C@@H]1N1CNC(Nc2nc3ccccc3s2)=[NH+]C1 ZINC000009015948 211030986 /nfs/dbraw/zinc/03/09/86/211030986.db2.gz DKVCDNJJRMBTJV-GUTXKFCHSA-N 1 2 343.500 3.709 40 0 EHABLO Cc1cc2ccccc2[nH+]c1NCCNC(=O)CCc1ccccc1 ZINC000004886200 210312071 /nfs/dbraw/zinc/31/20/71/210312071.db2.gz ASGODYUKBVYHMW-UHFFFAOYSA-N 1 2 333.435 3.704 40 0 EHABLO CN(C)c1cc([C@H]2CCCN(C(=O)CCc3cccs3)C2)cc[nH+]1 ZINC000257261541 536144957 /nfs/dbraw/zinc/14/49/57/536144957.db2.gz LHUFJJJJWAXMOW-INIZCTEOSA-N 1 2 343.496 3.548 40 0 EHABLO C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC000019080716 563853493 /nfs/dbraw/zinc/85/34/93/563853493.db2.gz BGLJWWMNWRWJGN-NEPJUHHUSA-N 1 2 332.473 3.690 40 0 EHABLO Cc1cn2c(cccc2[C@@H]2CCCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000585182439 563975046 /nfs/dbraw/zinc/97/50/46/563975046.db2.gz VJUMXQLTAOKDDA-CQSZACIVSA-N 1 2 325.437 3.724 40 0 EHABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000219861437 564035544 /nfs/dbraw/zinc/03/55/44/564035544.db2.gz WMYOWEZCKGNEFW-UHFFFAOYSA-N 1 2 336.479 3.960 40 0 EHABLO CCNc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)nc(C)n1 ZINC000257281091 564054657 /nfs/dbraw/zinc/05/46/57/564054657.db2.gz ONONXQZGYDHYFJ-INIZCTEOSA-N 1 2 331.851 3.602 40 0 EHABLO CCNc1cc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)nc(C)n1 ZINC000257281091 564054658 /nfs/dbraw/zinc/05/46/58/564054658.db2.gz ONONXQZGYDHYFJ-INIZCTEOSA-N 1 2 331.851 3.602 40 0 EHABLO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257332807 564055589 /nfs/dbraw/zinc/05/55/89/564055589.db2.gz XYSNICOGBIXMLG-INIZCTEOSA-N 1 2 339.468 3.584 40 0 EHABLO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257332807 564055590 /nfs/dbraw/zinc/05/55/90/564055590.db2.gz XYSNICOGBIXMLG-INIZCTEOSA-N 1 2 339.468 3.584 40 0 EHABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(F)c1 ZINC000328961082 564070938 /nfs/dbraw/zinc/07/09/38/564070938.db2.gz BBHUVNZNTJBHEZ-UHFFFAOYSA-N 1 2 344.409 3.964 40 0 EHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328981164 564071226 /nfs/dbraw/zinc/07/12/26/564071226.db2.gz GROBNRUEBLBVIY-IBGZPJMESA-N 1 2 348.450 3.738 40 0 EHABLO Clc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328998536 564071387 /nfs/dbraw/zinc/07/13/87/564071387.db2.gz JSCQQKPLHUFPCR-UHFFFAOYSA-N 1 2 328.847 3.949 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(=O)OC)cc2)cc(C2CC2)[nH+]1 ZINC000329054057 564071954 /nfs/dbraw/zinc/07/19/54/564071954.db2.gz VJJUICJCMWLATB-GFCCVEGCSA-N 1 2 340.427 3.517 40 0 EHABLO COc1ccc([C@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(=O)[C@H]2C)cc1 ZINC000055439862 214323105 /nfs/dbraw/zinc/32/31/05/214323105.db2.gz RVYZVGKIODSCSZ-FEBSWUBLSA-N 1 2 339.435 3.931 40 0 EHABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072383636 216183793 /nfs/dbraw/zinc/18/37/93/216183793.db2.gz QQXWUJAERNJHOP-SFHVURJKSA-N 1 2 347.422 3.704 40 0 EHABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072383636 216183795 /nfs/dbraw/zinc/18/37/95/216183795.db2.gz QQXWUJAERNJHOP-SFHVURJKSA-N 1 2 347.422 3.704 40 0 EHABLO CC[N@H+](CCCNC(=S)Nc1ccncc1)c1ccc(C)cc1 ZINC000225735270 242009747 /nfs/dbraw/zinc/00/97/47/242009747.db2.gz UCRGZZGOQHFJSY-UHFFFAOYSA-N 1 2 328.485 3.593 40 0 EHABLO CC[N@@H+](CCCNC(=S)Nc1ccncc1)c1ccc(C)cc1 ZINC000225735270 242009751 /nfs/dbraw/zinc/00/97/51/242009751.db2.gz UCRGZZGOQHFJSY-UHFFFAOYSA-N 1 2 328.485 3.593 40 0 EHABLO O=C(/C=C/c1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020456423 212131851 /nfs/dbraw/zinc/13/18/51/212131851.db2.gz RTFYYHSGBDBYDX-JXMROGBWSA-N 1 2 337.810 3.855 40 0 EHABLO Cc1nc2sccn2c1CN1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257249321 244265774 /nfs/dbraw/zinc/26/57/74/244265774.db2.gz JHQYLOAZNXOCOM-QGZVFWFLSA-N 1 2 349.463 3.658 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)[nH+]1 ZINC000257309826 244487951 /nfs/dbraw/zinc/48/79/51/244487951.db2.gz UCNWQANEXDNNMM-AWEZNQCLSA-N 1 2 325.437 3.953 40 0 EHABLO CCN1CCc2cc(-c3c[nH+]cn3CCCn3nc(C)cc3C)ccc21 ZINC000019719390 212057421 /nfs/dbraw/zinc/05/74/21/212057421.db2.gz UNMKMFOOSNSDKP-UHFFFAOYSA-N 1 2 349.482 3.836 40 0 EHABLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]2)cc1OC ZINC000019658785 212054897 /nfs/dbraw/zinc/05/48/97/212054897.db2.gz BBBHVJOZUQZIKH-QGZVFWFLSA-N 1 2 337.423 3.917 40 0 EHABLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]2)cc1OC ZINC000019658785 212054899 /nfs/dbraw/zinc/05/48/99/212054899.db2.gz BBBHVJOZUQZIKH-QGZVFWFLSA-N 1 2 337.423 3.917 40 0 EHABLO Cc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015675726 211841279 /nfs/dbraw/zinc/84/12/79/211841279.db2.gz WYFSGCIXBRYFGO-KRWDZBQOSA-N 1 2 337.427 3.524 40 0 biogenic,in-vitro EHABLO COc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1OC ZINC000012188507 211313859 /nfs/dbraw/zinc/31/38/59/211313859.db2.gz LPVGXUOICKXFEZ-QGZVFWFLSA-N 1 2 343.814 3.544 40 0 EHABLO COc1cc(C[N@H+](C)Cc2cc(C)n[nH]2)ccc1OC1CCCC1 ZINC000012147123 211306822 /nfs/dbraw/zinc/30/68/22/211306822.db2.gz PHTPBPFBWXDRPZ-UHFFFAOYSA-N 1 2 329.444 3.680 40 0 EHABLO COc1cc(C[N@@H+](C)Cc2cc(C)n[nH]2)ccc1OC1CCCC1 ZINC000012147123 211306827 /nfs/dbraw/zinc/30/68/27/211306827.db2.gz PHTPBPFBWXDRPZ-UHFFFAOYSA-N 1 2 329.444 3.680 40 0 EHABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)cn2c1 ZINC000012088197 211290036 /nfs/dbraw/zinc/29/00/36/211290036.db2.gz MEZCUSOSVVFILN-AWEZNQCLSA-N 1 2 331.419 3.997 40 0 EHABLO CC[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(OC)c(OC)c1 ZINC000225721652 535892862 /nfs/dbraw/zinc/89/28/62/535892862.db2.gz JQMQQXKSDFCNCK-AWEZNQCLSA-N 1 2 331.441 3.537 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2[nH]c3ccc(F)cc3c2C)[nH+]1 ZINC000585181417 563975089 /nfs/dbraw/zinc/97/50/89/563975089.db2.gz QTLHWLWTUFMLNT-OAHLLOKOSA-N 1 2 326.375 3.624 40 0 EHABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)no1 ZINC000096046100 563978020 /nfs/dbraw/zinc/97/80/20/563978020.db2.gz MMESDCBFNPBYLP-IAOVAPTHSA-N 1 2 345.468 3.669 40 0 EHABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)no1 ZINC000096046100 563978021 /nfs/dbraw/zinc/97/80/21/563978021.db2.gz MMESDCBFNPBYLP-IAOVAPTHSA-N 1 2 345.468 3.669 40 0 EHABLO CCOC(=O)C1=C(C)n2c3ccccc3[nH+]c2N[C@H]1c1ccccc1 ZINC000008306555 564035151 /nfs/dbraw/zinc/03/51/51/564035151.db2.gz XFXFVIPADDULLJ-SFHVURJKSA-N 1 2 333.391 3.997 40 0 EHABLO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+]3Cc3ncc[nH]3)ccn2)n1 ZINC000257297081 564054973 /nfs/dbraw/zinc/05/49/73/564054973.db2.gz RFSYQGLIEIEHIO-MRXNPFEDSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccc(Nc2cc([C@H]3CCC[N@H+]3Cc3ncc[nH]3)ccn2)n1 ZINC000257297081 564054974 /nfs/dbraw/zinc/05/49/74/564054974.db2.gz RFSYQGLIEIEHIO-MRXNPFEDSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257304924 564055168 /nfs/dbraw/zinc/05/51/68/564055168.db2.gz SNRFIWLWUYIVIU-KRWDZBQOSA-N 1 2 337.402 3.651 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257304924 564055169 /nfs/dbraw/zinc/05/51/69/564055169.db2.gz SNRFIWLWUYIVIU-KRWDZBQOSA-N 1 2 337.402 3.651 40 0 EHABLO Cc1cc(N2CCC(C)(c3ncc(Cc4ccccc4)o3)CC2)nc[nH+]1 ZINC000257344639 564055832 /nfs/dbraw/zinc/05/58/32/564055832.db2.gz ZYDDVGVOWUEVGM-UHFFFAOYSA-N 1 2 348.450 3.922 40 0 EHABLO CC(C)(CO)CCCn1c[nH+]cc1-c1cnn(-c2ccc(F)cc2)c1 ZINC000019719645 212056730 /nfs/dbraw/zinc/05/67/30/212056730.db2.gz PMHNNZXDDXGCIL-UHFFFAOYSA-N 1 2 342.418 3.674 40 0 EHABLO C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019496304 212031930 /nfs/dbraw/zinc/03/19/30/212031930.db2.gz OZRSUPPEDHZIPZ-MRXNPFEDSA-N 1 2 334.423 3.678 40 0 EHABLO O=C(CCCn1cc[nH+]c1)Nc1nc(-c2ccccc2F)cs1 ZINC000019368426 212022256 /nfs/dbraw/zinc/02/22/56/212022256.db2.gz IPSOYFJBXOAHBX-UHFFFAOYSA-N 1 2 330.388 3.565 40 0 EHABLO O=C(c1ccco1)N1CCc2cc(-c3cn4c([nH+]3)CCCC4)ccc21 ZINC000019342153 212018033 /nfs/dbraw/zinc/01/80/33/212018033.db2.gz BTEIDHPXICUCEC-UHFFFAOYSA-N 1 2 333.391 3.682 40 0 EHABLO Fc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3cccnc3)o2)c1F ZINC000019292736 212013386 /nfs/dbraw/zinc/01/33/86/212013386.db2.gz GGJLUJJMKWFHSG-HNNXBMFYSA-N 1 2 342.349 3.747 40 0 EHABLO Fc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3cccnc3)o2)c1F ZINC000019292736 212013388 /nfs/dbraw/zinc/01/33/88/212013388.db2.gz GGJLUJJMKWFHSG-HNNXBMFYSA-N 1 2 342.349 3.747 40 0 EHABLO CCOc1ccc([C@@H](C)NC(=S)Nc2cc[nH+]cc2)cc1OCC ZINC000225752416 535411270 /nfs/dbraw/zinc/41/12/70/535411270.db2.gz FJSYDXYVZXQDFE-CYBMUJFWSA-N 1 2 345.468 3.927 40 0 EHABLO Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C[NH+]1CCCCC1 ZINC000006263557 563563048 /nfs/dbraw/zinc/56/30/48/563563048.db2.gz WDOOSDNCIQQEMX-ZDUSSCGKSA-N 1 2 340.254 3.818 40 0 EHABLO Cc1cccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c1C ZINC000076555371 563968100 /nfs/dbraw/zinc/96/81/00/563968100.db2.gz WMUFKYFHWTWPDW-QGZVFWFLSA-N 1 2 336.435 3.970 40 0 EHABLO CNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212506 563984447 /nfs/dbraw/zinc/98/44/47/563984447.db2.gz YTSXVJPULKNENC-KRWDZBQOSA-N 1 2 325.412 3.987 40 0 EHABLO Cc1cccc(CSCCCNC(=S)Nc2cc[nH+]cc2)c1 ZINC000225605345 564048342 /nfs/dbraw/zinc/04/83/42/564048342.db2.gz MOHYVNDQEFJCEI-UHFFFAOYSA-N 1 2 331.510 4.000 40 0 EHABLO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257228378 564054601 /nfs/dbraw/zinc/05/46/01/564054601.db2.gz FTORQLHYJMKWGX-CQSZACIVSA-N 1 2 327.457 3.517 40 0 EHABLO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257228378 564054602 /nfs/dbraw/zinc/05/46/02/564054602.db2.gz FTORQLHYJMKWGX-CQSZACIVSA-N 1 2 327.457 3.517 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3coc4cc(C)ccc34)C2)[nH+]1 ZINC000257288345 564054822 /nfs/dbraw/zinc/05/48/22/564054822.db2.gz PTVWTCVWMTUPLJ-HNNXBMFYSA-N 1 2 337.423 3.721 40 0 EHABLO CNc1cc([C@@H]2CCCN2C(=O)c2nccc3ccccc32)cc[nH+]1 ZINC000257313586 564055307 /nfs/dbraw/zinc/05/53/07/564055307.db2.gz UTHBTXPORPGZAE-KRWDZBQOSA-N 1 2 332.407 3.649 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)[nH+]1 ZINC000257326231 564055479 /nfs/dbraw/zinc/05/54/79/564055479.db2.gz WWJZUXDAVOBBSY-LJQANCHMSA-N 1 2 337.467 3.627 40 0 EHABLO Cc1nc(N2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)cc[nH+]1 ZINC000257337369 564055693 /nfs/dbraw/zinc/05/56/93/564055693.db2.gz YSMXOAKKJNMXMB-KRWDZBQOSA-N 1 2 338.386 3.844 40 0 EHABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000328969037 564071072 /nfs/dbraw/zinc/07/10/72/564071072.db2.gz DCDOLFFNQXZSQT-GOSISDBHSA-N 1 2 340.471 3.565 40 0 EHABLO CC[C@@H](C)Nc1nc(NCc2ccccc2C)cc(-c2ccncc2)[nH+]1 ZINC000328989019 564071294 /nfs/dbraw/zinc/07/12/94/564071294.db2.gz IHVIXUFEQHMYMI-MRXNPFEDSA-N 1 2 347.466 3.513 40 0 EHABLO CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329006281 564071471 /nfs/dbraw/zinc/07/14/71/564071471.db2.gz LCASODZIHDSGRA-UHFFFAOYSA-N 1 2 340.324 3.531 40 0 EHABLO CC(C)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068390880 215305016 /nfs/dbraw/zinc/30/50/16/215305016.db2.gz QIDKOGCDIWXEBR-UHFFFAOYSA-N 1 2 338.451 3.895 40 0 EHABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000226255026 242093493 /nfs/dbraw/zinc/09/34/93/242093493.db2.gz NWROOBVMXMKLAD-UHFFFAOYSA-N 1 2 327.403 3.897 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)[nH+]1 ZINC000257205166 244130721 /nfs/dbraw/zinc/13/07/21/244130721.db2.gz AXXOECFTBSFLGE-AWEZNQCLSA-N 1 2 329.419 3.541 40 0 EHABLO Cc1onc(C(C)C)c1C(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257207514 244139816 /nfs/dbraw/zinc/13/98/16/244139816.db2.gz BICODOPCPHHBJG-UHFFFAOYSA-N 1 2 341.455 3.905 40 0 EHABLO O=C(CCc1cccs1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257237606 244232412 /nfs/dbraw/zinc/23/24/12/244232412.db2.gz HHGMIEXPGUAGMK-KRWDZBQOSA-N 1 2 337.448 3.661 40 0 EHABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)ccn1 ZINC000257267053 244365345 /nfs/dbraw/zinc/36/53/45/244365345.db2.gz MFTKQFKWHDCUCE-KRWDZBQOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)ccn1 ZINC000257267053 244365348 /nfs/dbraw/zinc/36/53/48/244365348.db2.gz MFTKQFKWHDCUCE-KRWDZBQOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257267053 244365353 /nfs/dbraw/zinc/36/53/53/244365353.db2.gz MFTKQFKWHDCUCE-KRWDZBQOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)ccn1 ZINC000257267053 244365358 /nfs/dbraw/zinc/36/53/58/244365358.db2.gz MFTKQFKWHDCUCE-KRWDZBQOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)[nH+]1 ZINC000257268704 244369338 /nfs/dbraw/zinc/36/93/38/244369338.db2.gz MMVOMGVBGVHTDO-INIZCTEOSA-N 1 2 342.443 3.742 40 0 EHABLO c1csc(-c2cnc(NCCc3c[nH]c[nH+]3)nc2-c2cccnc2)c1 ZINC000012221835 211323666 /nfs/dbraw/zinc/32/36/66/211323666.db2.gz YFPNJIPOKZIDMK-UHFFFAOYSA-N 1 2 348.435 3.645 40 0 EHABLO c1csc(-c2cnc(NCCc3c[nH+]c[nH]3)nc2-c2cccnc2)c1 ZINC000012221835 211323670 /nfs/dbraw/zinc/32/36/70/211323670.db2.gz YFPNJIPOKZIDMK-UHFFFAOYSA-N 1 2 348.435 3.645 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2nccc3ccccc32)cc[nH+]1 ZINC000257337272 536144656 /nfs/dbraw/zinc/14/46/56/536144656.db2.gz YSCLOYGEKICXOE-SFHVURJKSA-N 1 2 346.434 3.673 40 0 EHABLO CCCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000044901282 563927762 /nfs/dbraw/zinc/92/77/62/563927762.db2.gz OOKSZBWVXCMQSY-UHFFFAOYSA-N 1 2 335.407 3.591 40 0 EHABLO Cc1cccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c1C ZINC000076555373 563968107 /nfs/dbraw/zinc/96/81/07/563968107.db2.gz WMUFKYFHWTWPDW-KRWDZBQOSA-N 1 2 336.435 3.970 40 0 EHABLO Cc1cc2c(cc1C[N@H+](Cc1ccncc1)Cc1cccnc1)OCO2 ZINC000013989686 564020813 /nfs/dbraw/zinc/02/08/13/564020813.db2.gz XXPCLVGVLYEMEC-UHFFFAOYSA-N 1 2 347.418 3.716 40 0 EHABLO Cc1cc2c(cc1C[N@@H+](Cc1ccncc1)Cc1cccnc1)OCO2 ZINC000013989686 564020814 /nfs/dbraw/zinc/02/08/14/564020814.db2.gz XXPCLVGVLYEMEC-UHFFFAOYSA-N 1 2 347.418 3.716 40 0 EHABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2cccs2)cc1 ZINC000257296802 564054968 /nfs/dbraw/zinc/05/49/68/564054968.db2.gz RELXNYDWJCYTDC-KRWDZBQOSA-N 1 2 325.437 3.710 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2cccc(SC)c2)cc(C2CC2)[nH+]1 ZINC000328980376 564071233 /nfs/dbraw/zinc/07/12/33/564071233.db2.gz GLWAEUZMDYAZKF-GFCCVEGCSA-N 1 2 328.485 3.874 40 0 EHABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329032878 564071768 /nfs/dbraw/zinc/07/17/68/564071768.db2.gz QQTQZSOSEYRTCA-UHFFFAOYSA-N 1 2 342.752 3.655 40 0 EHABLO CCOC(=O)c1c[nH+]c2cc(Cl)c(OC)cc2c1N(CC)CC ZINC000064874603 564134110 /nfs/dbraw/zinc/13/41/10/564134110.db2.gz SKEUXRRTMCBWCY-UHFFFAOYSA-N 1 2 336.819 3.920 40 0 EHABLO C/C=C1/C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC(=O)N(C)C ZINC000104144613 219353407 /nfs/dbraw/zinc/35/34/07/219353407.db2.gz LZJIXZMRBQIFTH-RTEFYLRESA-N 1 2 337.467 3.512 40 0 EHABLO C/C=C1/C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC(=O)N(C)C ZINC000104144613 219353410 /nfs/dbraw/zinc/35/34/10/219353410.db2.gz LZJIXZMRBQIFTH-RTEFYLRESA-N 1 2 337.467 3.512 40 0 EHABLO C[C@H](Sc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020459128 212133076 /nfs/dbraw/zinc/13/30/76/212133076.db2.gz BNFDFLLJOZIWBP-HNNXBMFYSA-N 1 2 337.448 3.669 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2coc3cc(C)ccc23)[nH+]1 ZINC000257251421 244270905 /nfs/dbraw/zinc/27/09/05/244270905.db2.gz JQRXJGYSEQXZHM-KRWDZBQOSA-N 1 2 337.423 3.689 40 0 EHABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)C3CCCC3)C2)c2sccn12 ZINC000257257872 244286830 /nfs/dbraw/zinc/28/68/30/244286830.db2.gz KRKOMXXILKHGHG-SFHVURJKSA-N 1 2 331.485 3.775 40 0 EHABLO Cc1nn(CCn2c[nH+]cc2-c2ccc3c(c2)C[C@H](C)N3C)c(C)c1C ZINC000019719459 212057271 /nfs/dbraw/zinc/05/72/71/212057271.db2.gz ZPRWBLBHPZSASR-AWEZNQCLSA-N 1 2 349.482 3.753 40 0 EHABLO Cc1ncsc1-c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)o1 ZINC000019562693 212043030 /nfs/dbraw/zinc/04/30/30/212043030.db2.gz UZPWQCSKHFAQQF-AWEZNQCLSA-N 1 2 341.440 3.624 40 0 EHABLO Cc1ncsc1-c1nnc([C@@H]2CCCC[N@H+]2Cc2ccncc2)o1 ZINC000019562693 212043032 /nfs/dbraw/zinc/04/30/32/212043032.db2.gz UZPWQCSKHFAQQF-AWEZNQCLSA-N 1 2 341.440 3.624 40 0 EHABLO Fc1cccc(-c2cnc(-c3ccncc3)c(C[NH+]3CCOCC3)c2)c1 ZINC000019294333 212012894 /nfs/dbraw/zinc/01/28/94/212012894.db2.gz UTNHXIPRDRMLGM-UHFFFAOYSA-N 1 2 349.409 3.782 40 0 EHABLO Cn1cc[nH+]c1CN(Cc1ccccn1)Cc1ccccc1Cl ZINC000019291483 212011658 /nfs/dbraw/zinc/01/16/58/212011658.db2.gz TUGWZMBTHQDYHO-UHFFFAOYSA-N 1 2 326.831 3.671 40 0 EHABLO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000012119188 211297377 /nfs/dbraw/zinc/29/73/77/211297377.db2.gz RQYMQRYUMVDRSP-CYBMUJFWSA-N 1 2 344.361 3.710 40 0 EHABLO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000012119188 211297381 /nfs/dbraw/zinc/29/73/81/211297381.db2.gz RQYMQRYUMVDRSP-CYBMUJFWSA-N 1 2 344.361 3.710 40 0 EHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1F ZINC000329060613 257902113 /nfs/dbraw/zinc/90/21/13/257902113.db2.gz WMSZRIDGDYUZPO-UHFFFAOYSA-N 1 2 334.398 3.753 40 0 EHABLO CCOC(=O)N1CC[NH+](CCOc2ccc(C(C)(C)CC)cc2)CC1 ZINC000031923344 563913221 /nfs/dbraw/zinc/91/32/21/563913221.db2.gz QXSOGEBGSDXXOL-UHFFFAOYSA-N 1 2 348.487 3.527 40 0 EHABLO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060613954 563950039 /nfs/dbraw/zinc/95/00/39/563950039.db2.gz VPMWSVOJCWTACM-UHFFFAOYSA-N 1 2 346.434 3.784 40 0 EHABLO O=C(CC1CCCCC1)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111181 563971706 /nfs/dbraw/zinc/97/17/06/563971706.db2.gz HXJNYSCAFAJZOD-UHFFFAOYSA-N 1 2 337.467 3.905 40 0 EHABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+]3Cc3nccn3C)ccn2)n1 ZINC000257308347 564055203 /nfs/dbraw/zinc/05/52/03/564055203.db2.gz TWKKVDQYWCDXAZ-KRWDZBQOSA-N 1 2 348.454 3.599 40 0 EHABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3nccn3C)ccn2)n1 ZINC000257308347 564055204 /nfs/dbraw/zinc/05/52/04/564055204.db2.gz TWKKVDQYWCDXAZ-KRWDZBQOSA-N 1 2 348.454 3.599 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2cccc(SC)c2)cc(C2CC2)[nH+]1 ZINC000328980377 564071205 /nfs/dbraw/zinc/07/12/05/564071205.db2.gz GLWAEUZMDYAZKF-LBPRGKRZSA-N 1 2 328.485 3.874 40 0 EHABLO CC(C)(C)c1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1 ZINC000328986130 564071270 /nfs/dbraw/zinc/07/12/70/564071270.db2.gz HWNMSEOIAITKII-UHFFFAOYSA-N 1 2 340.471 3.611 40 0 EHABLO Fc1ccc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329029254 564071681 /nfs/dbraw/zinc/07/16/81/564071681.db2.gz PYJZXSFYAWGUIE-UHFFFAOYSA-N 1 2 330.382 3.574 40 0 EHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1F ZINC000329028575 564071698 /nfs/dbraw/zinc/07/16/98/564071698.db2.gz PVUFTXOWOKPPBA-UHFFFAOYSA-N 1 2 330.407 3.878 40 0 EHABLO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@@]2(C)CC[N@@H+](C)[C@@H]12 ZINC000053151191 214166697 /nfs/dbraw/zinc/16/66/97/214166697.db2.gz PBHFNBQPZCRWQP-AZUAARDMSA-N 1 2 337.423 3.667 40 0 EHABLO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@@]2(C)CC[N@H+](C)[C@@H]12 ZINC000053151191 214166700 /nfs/dbraw/zinc/16/67/00/214166700.db2.gz PBHFNBQPZCRWQP-AZUAARDMSA-N 1 2 337.423 3.667 40 0 EHABLO COCCc1nc(N)cc(Nc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000049467748 214010528 /nfs/dbraw/zinc/01/05/28/214010528.db2.gz UXWYRBGEWXEYHC-UHFFFAOYSA-N 1 2 336.395 3.784 40 0 EHABLO COCCc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N)[nH+]1 ZINC000049467748 214010531 /nfs/dbraw/zinc/01/05/31/214010531.db2.gz UXWYRBGEWXEYHC-UHFFFAOYSA-N 1 2 336.395 3.784 40 0 EHABLO COc1ccc([C@@H]2[NH2+][C@@H](c3ccc(OC)cc3)[C@H](C)C(=O)[C@@H]2C)cc1 ZINC000101039874 219114320 /nfs/dbraw/zinc/11/43/20/219114320.db2.gz RVYZVGKIODSCSZ-RYMBOPBQSA-N 1 2 339.435 3.931 40 0 EHABLO COc1cccc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)oc21 ZINC000038757169 213224449 /nfs/dbraw/zinc/22/44/49/213224449.db2.gz TUIPSKKMFDKOSU-UHFFFAOYSA-N 1 2 347.374 3.557 40 0 EHABLO O[C@](/C=C/c1ccc(Cl)cc1)(Cn1cc[nH+]c1)c1ccncc1 ZINC000022115003 212277624 /nfs/dbraw/zinc/27/76/24/212277624.db2.gz WNHHKRRKYLMQCJ-KRZKXXONSA-N 1 2 325.799 3.533 40 0 EHABLO CCOc1ccc([C@H](C)NC(=S)Nc2cc[nH+]cc2)cc1OCC ZINC000225752429 242018469 /nfs/dbraw/zinc/01/84/69/242018469.db2.gz FJSYDXYVZXQDFE-ZDUSSCGKSA-N 1 2 345.468 3.927 40 0 EHABLO Cc1nn(C)cc1-c1c[nH+]cn1C[C@H](C)Oc1ccccc1Cl ZINC000019719511 212056652 /nfs/dbraw/zinc/05/66/52/212056652.db2.gz JBYDIUUIHQNBCP-LBPRGKRZSA-N 1 2 330.819 3.713 40 0 EHABLO O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000078656051 217096940 /nfs/dbraw/zinc/09/69/40/217096940.db2.gz NLPVEAYVZLXVGJ-HRCADAONSA-N 1 2 329.831 3.920 40 0 EHABLO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C1 ZINC000012088109 211289678 /nfs/dbraw/zinc/28/96/78/211289678.db2.gz CXOXRZZLVKHJRX-IAGOWNOFSA-N 1 2 348.450 3.781 40 0 EHABLO CCc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+](CC)CC)cc1 ZINC000226260258 536191293 /nfs/dbraw/zinc/19/12/93/536191293.db2.gz HEIZQFKQYCVDQV-UHFFFAOYSA-N 1 2 341.455 3.695 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2[nH]c3ccc(F)cc3c2C)[nH+]1 ZINC000585181416 563975116 /nfs/dbraw/zinc/97/51/16/563975116.db2.gz QTLHWLWTUFMLNT-HNNXBMFYSA-N 1 2 326.375 3.624 40 0 EHABLO CC(C)(C)C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514288741 563993997 /nfs/dbraw/zinc/99/39/97/563993997.db2.gz DLMORKCFINWIRD-GJZGRUSLSA-N 1 2 343.471 3.564 40 0 biogenic,in-vitro EHABLO CC(C)(C)C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514288741 563993998 /nfs/dbraw/zinc/99/39/98/563993998.db2.gz DLMORKCFINWIRD-GJZGRUSLSA-N 1 2 343.471 3.564 40 0 biogenic,in-vitro EHABLO S=C(NCCSCc1cccc(Cl)c1)Nc1cc[nH+]cc1 ZINC000225301288 564045788 /nfs/dbraw/zinc/04/57/88/564045788.db2.gz SUCXIKSAXAPJOL-UHFFFAOYSA-N 1 2 337.901 3.955 40 0 EHABLO Fc1ccc(CSCCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225616771 564048474 /nfs/dbraw/zinc/04/84/74/564048474.db2.gz MRKZUIZNQVKBLH-UHFFFAOYSA-N 1 2 335.473 3.831 40 0 EHABLO c1cc2ccc(C[C@@H]3COCC[N@H+](Cc4cscn4)C3)cc2o1 ZINC000257279503 564054654 /nfs/dbraw/zinc/05/46/54/564054654.db2.gz OGXYPCMQBKTEEX-HNNXBMFYSA-N 1 2 328.437 3.580 40 0 EHABLO c1cc2ccc(C[C@@H]3COCC[N@@H+](Cc4cscn4)C3)cc2o1 ZINC000257279503 564054655 /nfs/dbraw/zinc/05/46/55/564054655.db2.gz OGXYPCMQBKTEEX-HNNXBMFYSA-N 1 2 328.437 3.580 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329005847 564071419 /nfs/dbraw/zinc/07/14/19/564071419.db2.gz KZJQHGDUVRCZQL-SNVBAGLBSA-N 1 2 334.826 3.944 40 0 EHABLO CC(C)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329015974 564071548 /nfs/dbraw/zinc/07/15/48/564071548.db2.gz NEPAIUNANLQNSV-UHFFFAOYSA-N 1 2 347.260 3.524 40 0 EHABLO CCNc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329030255 564071694 /nfs/dbraw/zinc/07/16/94/564071694.db2.gz QCLKHHFMHQDQJD-UHFFFAOYSA-N 1 2 338.842 3.685 40 0 EHABLO CCNc1nc(Nc2cccc(C(F)(F)F)c2C)cc(C2CC2)[nH+]1 ZINC000329048290 564071902 /nfs/dbraw/zinc/07/19/02/564071902.db2.gz UJEOAGNWWGLBNT-UHFFFAOYSA-N 1 2 336.361 3.700 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2ccccc2SC)cc(C2CC2)[nH+]1 ZINC000329065345 564072067 /nfs/dbraw/zinc/07/20/67/564072067.db2.gz XQKYPFOYYAAGTD-LBPRGKRZSA-N 1 2 328.485 3.874 40 0 EHABLO CC[C@@H](C)Nc1nc(NCc2ccc(C)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329072137 564072189 /nfs/dbraw/zinc/07/21/89/564072189.db2.gz ZVDKANTWLLHZPK-MRXNPFEDSA-N 1 2 347.466 3.513 40 0 EHABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095533741 564141702 /nfs/dbraw/zinc/14/17/02/564141702.db2.gz VVXNSBURJHBTHJ-KRWDZBQOSA-N 1 2 336.439 3.826 40 0 EHABLO Cc1cc(Oc2ccccc2)nc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384193 216185946 /nfs/dbraw/zinc/18/59/46/216185946.db2.gz DAQOBCJGHGIQGP-QGZVFWFLSA-N 1 2 349.438 3.648 40 0 EHABLO CCCCc1[nH]c(CN2Cc3nccn3C[C@H]2c2ccccc2)c[nH+]1 ZINC000257265842 244361047 /nfs/dbraw/zinc/36/10/47/244361047.db2.gz MAOYPGUSBMKTSB-SFHVURJKSA-N 1 2 335.455 3.706 40 0 EHABLO CCCCc1[nH]cc(CN2Cc3nccn3C[C@H]2c2ccccc2)[nH+]1 ZINC000257265842 244361050 /nfs/dbraw/zinc/36/10/50/244361050.db2.gz MAOYPGUSBMKTSB-SFHVURJKSA-N 1 2 335.455 3.706 40 0 EHABLO Fc1ccc(-c2cnc(-c3ccncc3)c(C[NH+]3CCOCC3)c2)cc1 ZINC000019336580 212017942 /nfs/dbraw/zinc/01/79/42/212017942.db2.gz VALQKSAFIXDBKQ-UHFFFAOYSA-N 1 2 349.409 3.782 40 0 EHABLO O=C(NCc1cccs1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000012088106 211289625 /nfs/dbraw/zinc/28/96/25/211289625.db2.gz CEEBYQIHRMJXNV-UHFFFAOYSA-N 1 2 348.431 3.655 40 0 EHABLO Cc1ccc(C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H]2CCCO2)o1 ZINC000012143722 524417092 /nfs/dbraw/zinc/41/70/92/524417092.db2.gz OPBKHYLIINJIBJ-INIZCTEOSA-N 1 2 331.460 3.790 40 0 EHABLO Cc1ccc(C[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H]2CCCO2)o1 ZINC000012143722 524417105 /nfs/dbraw/zinc/41/71/05/524417105.db2.gz OPBKHYLIINJIBJ-INIZCTEOSA-N 1 2 331.460 3.790 40 0 EHABLO COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc[nH+]c3C)n2)cc1 ZINC000002466125 563433270 /nfs/dbraw/zinc/43/32/70/563433270.db2.gz OBCXBWGTRMDLAB-UHFFFAOYSA-N 1 2 334.301 3.665 40 0 EHABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]2COCC1CC1 ZINC000096060430 563978929 /nfs/dbraw/zinc/97/89/29/563978929.db2.gz JYDKYMXGOJXFNC-QGZVFWFLSA-N 1 2 343.446 3.568 40 0 EHABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]2COCC1CC1 ZINC000096060430 563978930 /nfs/dbraw/zinc/97/89/30/563978930.db2.gz JYDKYMXGOJXFNC-QGZVFWFLSA-N 1 2 343.446 3.568 40 0 EHABLO Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000001350789 564003380 /nfs/dbraw/zinc/00/33/80/564003380.db2.gz YARSPXBHQUBHGJ-UHFFFAOYSA-N 1 2 348.425 3.918 40 0 EHABLO CCn1cc(C[N@H+](Cc2cccs2)Cc2cccnc2)c(C)n1 ZINC000013569752 564020189 /nfs/dbraw/zinc/02/01/89/564020189.db2.gz NGKPPBMMBKCRLS-UHFFFAOYSA-N 1 2 326.469 3.870 40 0 EHABLO CCn1cc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c(C)n1 ZINC000013569752 564020190 /nfs/dbraw/zinc/02/01/90/564020190.db2.gz NGKPPBMMBKCRLS-UHFFFAOYSA-N 1 2 326.469 3.870 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000257278806 564054579 /nfs/dbraw/zinc/05/45/79/564054579.db2.gz ODTAFBVIYUHCGO-INIZCTEOSA-N 1 2 336.439 3.538 40 0 EHABLO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257228567 564054610 /nfs/dbraw/zinc/05/46/10/564054610.db2.gz FUIILMGEWWWQQS-HNNXBMFYSA-N 1 2 341.440 3.542 40 0 EHABLO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257228567 564054611 /nfs/dbraw/zinc/05/46/11/564054611.db2.gz FUIILMGEWWWQQS-HNNXBMFYSA-N 1 2 341.440 3.542 40 0 EHABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000257319345 564055409 /nfs/dbraw/zinc/05/54/09/564055409.db2.gz VRZFSXCUIXLUDP-HNNXBMFYSA-N 1 2 331.847 3.710 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3c(C)oc4c3CCCC4)C2)[nH+]1 ZINC000257325428 564055490 /nfs/dbraw/zinc/05/54/90/564055490.db2.gz WSXHTHDDGWJLPZ-OAHLLOKOSA-N 1 2 341.455 3.529 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3c(C)oc4c3CCCC4)C2)[nH+]1 ZINC000257325427 564055507 /nfs/dbraw/zinc/05/55/07/564055507.db2.gz WSXHTHDDGWJLPZ-HNNXBMFYSA-N 1 2 341.455 3.529 40 0 EHABLO CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328995115 564071346 /nfs/dbraw/zinc/07/13/46/564071346.db2.gz JGCCLSUZKALONK-UHFFFAOYSA-N 1 2 338.842 3.685 40 0 EHABLO Fc1cc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(F)c1 ZINC000329050006 564071937 /nfs/dbraw/zinc/07/19/37/564071937.db2.gz URFSPTUOINBZAF-UHFFFAOYSA-N 1 2 348.372 3.713 40 0 EHABLO Clc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329049040 564071940 /nfs/dbraw/zinc/07/19/40/564071940.db2.gz UMQASOGNMHFTBZ-UHFFFAOYSA-N 1 2 328.847 3.949 40 0 EHABLO CC(C)(C)Nc1nc(NCCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329052555 564071983 /nfs/dbraw/zinc/07/19/83/564071983.db2.gz VCHWYNMVXPHRTH-UHFFFAOYSA-N 1 2 347.466 3.826 40 0 EHABLO [NH3+][C@H](c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533313 564141594 /nfs/dbraw/zinc/14/15/94/564141594.db2.gz JASJOBQMUAJMCM-ZDUSSCGKSA-N 1 2 336.292 3.678 40 0 EHABLO c1ccc(N2N=N[C@@H]3C4CC([C@H]32)[C@@H]2[C@@H]4N=[NH+]N2c2ccccc2)cc1 ZINC000004721936 210260019 /nfs/dbraw/zinc/26/00/19/210260019.db2.gz GXZOSPLKQHPMGJ-WBWLENEPSA-N 1 2 330.395 3.885 40 0 EHABLO CC(C)(C)n1nnnc1[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000020120939 212103782 /nfs/dbraw/zinc/10/37/82/212103782.db2.gz WYKYCCKMAKJLJK-LJQANCHMSA-N 1 2 347.466 3.576 40 0 EHABLO CC(C)(C)n1nnnc1[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000020120939 212103785 /nfs/dbraw/zinc/10/37/85/212103785.db2.gz WYKYCCKMAKJLJK-LJQANCHMSA-N 1 2 347.466 3.576 40 0 EHABLO Cc1ccc2cc(C)c(NCCNC(=O)C3CCCCC3)[nH+]c2c1 ZINC000004886212 210311096 /nfs/dbraw/zinc/31/10/96/210311096.db2.gz ANQTVUYLDQRWEX-UHFFFAOYSA-N 1 2 325.456 3.960 40 0 EHABLO COc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226255237 536776641 /nfs/dbraw/zinc/77/66/41/536776641.db2.gz BLZVGWOHAOPUSF-UHFFFAOYSA-N 1 2 325.412 3.520 40 0 EHABLO CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044885022 563927426 /nfs/dbraw/zinc/92/74/26/563927426.db2.gz ZSAYEBGNYSYCKS-MRXNPFEDSA-N 1 2 349.434 3.518 40 0 EHABLO Cc1cc([C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000076073145 563937098 /nfs/dbraw/zinc/93/70/98/563937098.db2.gz BUTHTEYUQDNBSP-JSGCOSHPSA-N 1 2 332.473 3.738 40 0 EHABLO CCNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213070 563984501 /nfs/dbraw/zinc/98/45/01/563984501.db2.gz NZBNUMRMSAVEKJ-QGZVFWFLSA-N 1 2 325.412 3.987 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3csc(C(C)C)c3)C2)[nH+]1 ZINC000257319967 564055388 /nfs/dbraw/zinc/05/53/88/564055388.db2.gz VUUJIULEWWIKJQ-AWEZNQCLSA-N 1 2 331.485 3.933 40 0 EHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328981165 564071194 /nfs/dbraw/zinc/07/11/94/564071194.db2.gz GROBNRUEBLBVIY-LJQANCHMSA-N 1 2 348.450 3.738 40 0 EHABLO COc1ccc(-c2nc(Nc3ccccc3F)cc(N)[nH+]2)cc1OC ZINC000049468149 214010181 /nfs/dbraw/zinc/01/01/81/214010181.db2.gz BWGABWMEXLVINW-UHFFFAOYSA-N 1 2 340.358 3.626 40 0 EHABLO Cc1cccnc1Nc1cccc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072375526 216179675 /nfs/dbraw/zinc/17/96/75/216179675.db2.gz XZQHWFMWEHRXLH-MRXNPFEDSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)[nH+]1 ZINC000257258203 244288681 /nfs/dbraw/zinc/28/86/81/244288681.db2.gz KSUKVWQZMSMZQA-HNNXBMFYSA-N 1 2 337.423 3.803 40 0 EHABLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019334118 212016706 /nfs/dbraw/zinc/01/67/06/212016706.db2.gz VGIQRFUCVGYBMA-HNNXBMFYSA-N 1 2 341.802 3.517 40 0 EHABLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019334118 212016708 /nfs/dbraw/zinc/01/67/08/212016708.db2.gz VGIQRFUCVGYBMA-HNNXBMFYSA-N 1 2 341.802 3.517 40 0 EHABLO Cc1c(-c2cccc(C)c2)nn2c1[nH]c([C@H](C)n1cc[nH+]c1)cc2=O ZINC000019235254 212007175 /nfs/dbraw/zinc/00/71/75/212007175.db2.gz GPEBMJKMUYRSMH-AWEZNQCLSA-N 1 2 333.395 3.525 40 0 EHABLO Cc1cc2[nH]c(C3CCN(C(=S)NCC(C)C)CC3)[nH+]c2cc1C ZINC000008829297 211009557 /nfs/dbraw/zinc/00/95/57/211009557.db2.gz HDXRFIMXLOBKRF-UHFFFAOYSA-N 1 2 344.528 3.890 40 0 EHABLO CCOc1cc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)cc(Cl)c1OCC ZINC000015017022 563772768 /nfs/dbraw/zinc/77/27/68/563772768.db2.gz HDBLETFAKODFPF-MJSCBBHESA-N 1 2 337.847 3.565 40 0 EHABLO C[C@H](Sc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044900361 563927677 /nfs/dbraw/zinc/92/76/77/563927677.db2.gz LZDVFVDWVNCRQQ-HNNXBMFYSA-N 1 2 337.448 3.669 40 0 EHABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096059940 563978872 /nfs/dbraw/zinc/97/88/72/563978872.db2.gz HRTOTJCUZSUVCJ-SFHVURJKSA-N 1 2 343.446 3.568 40 0 EHABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096059940 563978873 /nfs/dbraw/zinc/97/88/73/563978873.db2.gz HRTOTJCUZSUVCJ-SFHVURJKSA-N 1 2 343.446 3.568 40 0 EHABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 ZINC000007782740 564015784 /nfs/dbraw/zinc/01/57/84/564015784.db2.gz AHFWQNKSEZATTL-UHFFFAOYSA-N 1 2 335.234 3.990 40 0 EHABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 ZINC000007782740 564015785 /nfs/dbraw/zinc/01/57/85/564015785.db2.gz AHFWQNKSEZATTL-UHFFFAOYSA-N 1 2 335.234 3.990 40 0 EHABLO COc1ccccc1CC[N@@H+]1CCOc2nc3c(C)cccc3cc2C1 ZINC000057718850 564035115 /nfs/dbraw/zinc/03/51/15/564035115.db2.gz HHVUHCKYYZUQJI-UHFFFAOYSA-N 1 2 348.446 3.989 40 0 EHABLO COc1ccccc1CC[N@H+]1CCOc2nc3c(C)cccc3cc2C1 ZINC000057718850 564035116 /nfs/dbraw/zinc/03/51/16/564035116.db2.gz HHVUHCKYYZUQJI-UHFFFAOYSA-N 1 2 348.446 3.989 40 0 EHABLO Cc1[nH+]cc(-c2cccc([C@@H]3CCCN3C(=O)C(C)(C)C)n2)n1C ZINC000257295912 564054924 /nfs/dbraw/zinc/05/49/24/564054924.db2.gz RAKHKNVKOCYDDD-INIZCTEOSA-N 1 2 326.444 3.500 40 0 EHABLO CNc1cc([C@H]2CCCN(C(=O)c3cccc4ncccc43)C2)cc[nH+]1 ZINC000257304635 564055151 /nfs/dbraw/zinc/05/51/51/564055151.db2.gz SMLYSUMAINOQMR-INIZCTEOSA-N 1 2 346.434 3.691 40 0 EHABLO Cc1ccsc1C(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257327258 564055513 /nfs/dbraw/zinc/05/55/13/564055513.db2.gz XAROTFMAPGWSCX-HNNXBMFYSA-N 1 2 329.469 3.537 40 0 EHABLO FC(F)Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000328968405 564071091 /nfs/dbraw/zinc/07/10/91/564071091.db2.gz CYKZFZIZZFURHC-UHFFFAOYSA-N 1 2 332.354 3.695 40 0 EHABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000328980863 564071208 /nfs/dbraw/zinc/07/12/08/564071208.db2.gz GQNWASWRRPLRMC-UHFFFAOYSA-N 1 2 336.414 3.999 40 0 EHABLO CNc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccccc2)[nH+]1 ZINC000329070951 564072169 /nfs/dbraw/zinc/07/21/69/564072169.db2.gz ZMBKJGODWFQAFO-UHFFFAOYSA-N 1 2 347.447 3.691 40 0 EHABLO O=C1N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CN1C1CCCCC1 ZINC000085436203 564073181 /nfs/dbraw/zinc/07/31/81/564073181.db2.gz DGXHAJAPSZNYKO-GOSISDBHSA-N 1 2 347.890 3.595 40 0 biogenic,in-vitro EHABLO O=C1N2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CN1C1CCCCC1 ZINC000085436203 564073182 /nfs/dbraw/zinc/07/31/82/564073182.db2.gz DGXHAJAPSZNYKO-GOSISDBHSA-N 1 2 347.890 3.595 40 0 biogenic,in-vitro EHABLO [NH3+][C@@H](c1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533935 564141646 /nfs/dbraw/zinc/14/16/46/564141646.db2.gz MBCVETWNFCHZFM-OAHLLOKOSA-N 1 2 349.221 3.739 40 0 EHABLO Fc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000004190608 210141667 /nfs/dbraw/zinc/14/16/67/210141667.db2.gz SPWKYDUDUAOVHB-KRWDZBQOSA-N 1 2 329.423 3.503 40 0 EHABLO COc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC(C)(C)C)n2)c1 ZINC000072322110 216150337 /nfs/dbraw/zinc/15/03/37/216150337.db2.gz UYCVFGLTVCZCTK-KRWDZBQOSA-N 1 2 329.444 3.505 40 0 biogenic,in-vitro EHABLO COc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC(C)(C)C)n2)c1 ZINC000072322110 216150339 /nfs/dbraw/zinc/15/03/39/216150339.db2.gz UYCVFGLTVCZCTK-KRWDZBQOSA-N 1 2 329.444 3.505 40 0 biogenic,in-vitro EHABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2ccsc2)cc1 ZINC000257271438 244380488 /nfs/dbraw/zinc/38/04/88/244380488.db2.gz MYILPTMZBLDNDS-KRWDZBQOSA-N 1 2 325.437 3.710 40 0 EHABLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)c1F ZINC000012329952 211349841 /nfs/dbraw/zinc/34/98/41/211349841.db2.gz XOEZUYKDDROUGV-WMLDXEAASA-N 1 2 339.414 3.764 40 0 EHABLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)c1F ZINC000012329952 211349843 /nfs/dbraw/zinc/34/98/43/211349843.db2.gz XOEZUYKDDROUGV-WMLDXEAASA-N 1 2 339.414 3.764 40 0 EHABLO Cc1cccc(-c2cc3nc(C)cc(NCCCn4cc[nH+]c4)n3n2)c1 ZINC000004902405 210317625 /nfs/dbraw/zinc/31/76/25/210317625.db2.gz KJALCTZOIJBKFR-UHFFFAOYSA-N 1 2 346.438 3.712 40 0 EHABLO CNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212566 257690303 /nfs/dbraw/zinc/69/03/03/257690303.db2.gz OQFYHFAMVKJVAH-KRWDZBQOSA-N 1 2 325.412 3.987 40 0 EHABLO CC[C@@H](C)Nc1nc(NCc2ccccc2C)cc(-c2cccnc2)[nH+]1 ZINC000329060830 257901770 /nfs/dbraw/zinc/90/17/70/257901770.db2.gz WOMHXXADHGJKSV-MRXNPFEDSA-N 1 2 347.466 3.513 40 0 EHABLO CC(C)[NH+](C(C)C)[C@H]1C2=C(CCSC2)OC(=O)C1(Cl)Cl ZINC000031760931 563913006 /nfs/dbraw/zinc/91/30/06/563913006.db2.gz PZNXDYLWBFHKQV-LBPRGKRZSA-N 1 2 338.300 3.596 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080591 563979129 /nfs/dbraw/zinc/97/91/29/563979129.db2.gz SQSDDYRBICHXBR-MAUKXSAKSA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080591 563979130 /nfs/dbraw/zinc/97/91/30/563979130.db2.gz SQSDDYRBICHXBR-MAUKXSAKSA-N 1 2 341.842 3.688 40 0 EHABLO Cc1cccc2cc3c(nc12)OCC[N@H+](CCOc1ccccc1)C3 ZINC000057718842 564035098 /nfs/dbraw/zinc/03/50/98/564035098.db2.gz WZYTYZONOBCPGO-UHFFFAOYSA-N 1 2 334.419 3.817 40 0 EHABLO Cc1cccc2cc3c(nc12)OCC[N@@H+](CCOc1ccccc1)C3 ZINC000057718842 564035099 /nfs/dbraw/zinc/03/50/99/564035099.db2.gz WZYTYZONOBCPGO-UHFFFAOYSA-N 1 2 334.419 3.817 40 0 EHABLO c1ccc2c(c1)nc(SCC[NH+]1CCOCC1)c1c2CCCC1 ZINC000026440407 564039693 /nfs/dbraw/zinc/03/96/93/564039693.db2.gz SCDNPONMNOLUFQ-UHFFFAOYSA-N 1 2 328.481 3.538 40 0 EHABLO O=C(CCc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225306194 564045816 /nfs/dbraw/zinc/04/58/16/564045816.db2.gz JMGNUQLTEDCUMI-UHFFFAOYSA-N 1 2 339.826 3.775 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)cc[nH+]1 ZINC000257301864 564055102 /nfs/dbraw/zinc/05/51/02/564055102.db2.gz SAGPXGZAKNSZGJ-LJQANCHMSA-N 1 2 346.434 3.673 40 0 EHABLO CNc1nc(Nc2ccc(Br)cc2C)cc(C2CC2)[nH+]1 ZINC000328978780 564059330 /nfs/dbraw/zinc/05/93/30/564059330.db2.gz GAZSQJMNGVLJKJ-UHFFFAOYSA-N 1 2 333.233 3.632 40 0 EHABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)ccc1C(C)C ZINC000328967292 564071016 /nfs/dbraw/zinc/07/10/16/564071016.db2.gz CTFZESWCMOOCHQ-CQSZACIVSA-N 1 2 340.471 3.744 40 0 EHABLO CNc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000328992499 564071366 /nfs/dbraw/zinc/07/13/66/564071366.db2.gz IVZNIIYGUDZQQW-UHFFFAOYSA-N 1 2 325.803 3.708 40 0 EHABLO CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329065356 564072038 /nfs/dbraw/zinc/07/20/38/564072038.db2.gz XQNPGALBLXRGPJ-UHFFFAOYSA-N 1 2 340.814 3.522 40 0 EHABLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000072203459 216069225 /nfs/dbraw/zinc/06/92/25/216069225.db2.gz HWRMPOGEXGFTQI-UHFFFAOYSA-N 1 2 345.896 3.628 40 0 EHABLO Cc1sc2c([C@@H]3CCCN(C(=O)C4CCC4)C3)[nH+]c(C)n2c1C ZINC000072368168 216174195 /nfs/dbraw/zinc/17/41/95/216174195.db2.gz BWJVYZLXKKCWEM-OAHLLOKOSA-N 1 2 331.485 3.827 40 0 EHABLO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccn3ccnc3n2)nc1 ZINC000257207183 244138102 /nfs/dbraw/zinc/13/81/02/244138102.db2.gz BGRTUVHUFTYNPB-MRXNPFEDSA-N 1 2 327.819 3.505 40 0 EHABLO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2ccn3ccnc3n2)nc1 ZINC000257207183 244138110 /nfs/dbraw/zinc/13/81/10/244138110.db2.gz BGRTUVHUFTYNPB-MRXNPFEDSA-N 1 2 327.819 3.505 40 0 EHABLO Cc1ccc(OCCCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020050105 212098284 /nfs/dbraw/zinc/09/82/84/212098284.db2.gz VOVJBIFOGWURBF-UHFFFAOYSA-N 1 2 349.434 3.656 40 0 EHABLO COc1cc(C)c(C[N@@H+]2CCc3nc4ccncc4cc3C2)cc1OC ZINC000019567100 212044456 /nfs/dbraw/zinc/04/44/56/212044456.db2.gz UQJJYAJJTNMZDP-UHFFFAOYSA-N 1 2 349.434 3.514 40 0 EHABLO COc1cc(C)c(C[N@H+]2CCc3nc4ccncc4cc3C2)cc1OC ZINC000019567100 212044458 /nfs/dbraw/zinc/04/44/58/212044458.db2.gz UQJJYAJJTNMZDP-UHFFFAOYSA-N 1 2 349.434 3.514 40 0 EHABLO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)cc(OC)c1O ZINC000012185871 211313286 /nfs/dbraw/zinc/31/32/86/211313286.db2.gz UVBQUMVUCGWQQL-INIZCTEOSA-N 1 2 346.427 3.823 40 0 EHABLO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)cc(OC)c1O ZINC000012185871 211313289 /nfs/dbraw/zinc/31/32/89/211313289.db2.gz UVBQUMVUCGWQQL-INIZCTEOSA-N 1 2 346.427 3.823 40 0 EHABLO COc1ccccc1C(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226255126 537001217 /nfs/dbraw/zinc/00/12/17/537001217.db2.gz AGAKHBAPGYKOOG-AWEZNQCLSA-N 1 2 339.439 3.909 40 0 EHABLO COc1ccccc1C(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226255126 537001220 /nfs/dbraw/zinc/00/12/20/537001220.db2.gz AGAKHBAPGYKOOG-AWEZNQCLSA-N 1 2 339.439 3.909 40 0 EHABLO COc1ccc([C@H](O)/C(=C\n2cc[nH+]c2)c2ccccc2)cc1OC ZINC000013216159 563692376 /nfs/dbraw/zinc/69/23/76/563692376.db2.gz IKCJARORQJCFIF-QUHSPFQSSA-N 1 2 336.391 3.632 40 0 EHABLO CCc1cc2ccc(C)c(C)c2nc1SCC[NH+]1CCOCC1 ZINC000026440403 564039705 /nfs/dbraw/zinc/03/97/05/564039705.db2.gz RSHKYSVCDACJDC-UHFFFAOYSA-N 1 2 330.497 3.838 40 0 EHABLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000224995539 564044257 /nfs/dbraw/zinc/04/42/57/564044257.db2.gz SFVRPSMEUYRDJV-UHFFFAOYSA-N 1 2 328.843 3.606 40 0 EHABLO O=C(c1cc(F)ccc1F)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257315743 564055305 /nfs/dbraw/zinc/05/53/05/564055305.db2.gz VCPFTBDCQBSJQF-KRWDZBQOSA-N 1 2 339.345 3.559 40 0 EHABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000329012607 564071529 /nfs/dbraw/zinc/07/15/29/564071529.db2.gz MLAXRUUDCLQDPM-UHFFFAOYSA-N 1 2 335.238 3.823 40 0 EHABLO CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC(C)(C)C)n1 ZINC000329014790 564071579 /nfs/dbraw/zinc/07/15/79/564071579.db2.gz MYHUOVHWJPKJDJ-UHFFFAOYSA-N 1 2 340.349 3.716 40 0 EHABLO COc1ccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)c(OC)c1 ZINC000049468004 214010117 /nfs/dbraw/zinc/01/01/17/214010117.db2.gz YKMWVVYOTJMTDH-UHFFFAOYSA-N 1 2 340.358 3.626 40 0 EHABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000067801007 215214553 /nfs/dbraw/zinc/21/45/53/215214553.db2.gz LJMIMZZOWHLXBZ-UHFFFAOYSA-N 1 2 342.842 3.968 40 0 EHABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072383644 216184248 /nfs/dbraw/zinc/18/42/48/216184248.db2.gz LRPBUYDXTAMVGS-SFHVURJKSA-N 1 2 347.422 3.704 40 0 EHABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072383644 216184251 /nfs/dbraw/zinc/18/42/51/216184251.db2.gz LRPBUYDXTAMVGS-SFHVURJKSA-N 1 2 347.422 3.704 40 0 EHABLO CCc1cccc(C)c1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022528080 212304908 /nfs/dbraw/zinc/30/49/08/212304908.db2.gz HBSZNLKRRIEFHY-UHFFFAOYSA-N 1 2 338.451 3.642 40 0 EHABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257204413 244131484 /nfs/dbraw/zinc/13/14/84/244131484.db2.gz AULMEYQEAJLVJD-AWEZNQCLSA-N 1 2 341.440 3.542 40 0 EHABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257204413 244131490 /nfs/dbraw/zinc/13/14/90/244131490.db2.gz AULMEYQEAJLVJD-AWEZNQCLSA-N 1 2 341.440 3.542 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)CCc2ccccc2F)cc[nH+]1 ZINC000257207330 244139258 /nfs/dbraw/zinc/13/92/58/244139258.db2.gz BHGUHRFWYYTUEC-QGZVFWFLSA-N 1 2 327.403 3.559 40 0 EHABLO Cc1cnc([C@@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)cn1 ZINC000257216632 244171230 /nfs/dbraw/zinc/17/12/30/244171230.db2.gz CVLSBKUNOWPRLA-KRWDZBQOSA-N 1 2 325.437 3.573 40 0 EHABLO Cc1cnc([C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)cn1 ZINC000257216632 244171236 /nfs/dbraw/zinc/17/12/36/244171236.db2.gz CVLSBKUNOWPRLA-KRWDZBQOSA-N 1 2 325.437 3.573 40 0 EHABLO CCOC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2cn(CC3CC3)nc21 ZINC000096059968 563978919 /nfs/dbraw/zinc/97/89/19/563978919.db2.gz KMQZQZLZQHGCLT-SFHVURJKSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2cn(CC3CC3)nc21 ZINC000096059968 563978920 /nfs/dbraw/zinc/97/89/20/563978920.db2.gz KMQZQZLZQHGCLT-SFHVURJKSA-N 1 2 343.446 3.568 40 0 EHABLO Fc1ccc(C[N@@H+]2CCc3c(COCC4CC4)cncc3C2)cc1 ZINC000096059307 563978932 /nfs/dbraw/zinc/97/89/32/563978932.db2.gz HCCLZAHQUQUGNW-UHFFFAOYSA-N 1 2 326.415 3.706 40 0 EHABLO Fc1ccc(C[N@H+]2CCc3c(COCC4CC4)cncc3C2)cc1 ZINC000096059307 563978933 /nfs/dbraw/zinc/97/89/33/563978933.db2.gz HCCLZAHQUQUGNW-UHFFFAOYSA-N 1 2 326.415 3.706 40 0 EHABLO COc1ccc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219851965 564035496 /nfs/dbraw/zinc/03/54/96/564035496.db2.gz NZIWGIQHVVUVQS-UHFFFAOYSA-N 1 2 338.451 3.536 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)[nH+]1 ZINC000257340139 564055772 /nfs/dbraw/zinc/05/57/72/564055772.db2.gz ZESXHEWMYXDQOL-LJQANCHMSA-N 1 2 333.435 3.788 40 0 EHABLO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000329023952 564071655 /nfs/dbraw/zinc/07/16/55/564071655.db2.gz OWYDVYPGKJSFGW-UHFFFAOYSA-N 1 2 346.434 3.660 40 0 EHABLO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000329023952 564071656 /nfs/dbraw/zinc/07/16/56/564071656.db2.gz OWYDVYPGKJSFGW-UHFFFAOYSA-N 1 2 346.434 3.660 40 0 EHABLO CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc[nH+]1 ZINC000329053362 564071957 /nfs/dbraw/zinc/07/19/57/564071957.db2.gz VGARHMGGTKMFRR-UHFFFAOYSA-N 1 2 347.260 3.622 40 0 EHABLO CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1 ZINC000329053362 564071958 /nfs/dbraw/zinc/07/19/58/564071958.db2.gz VGARHMGGTKMFRR-UHFFFAOYSA-N 1 2 347.260 3.622 40 0 EHABLO Fc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000004190575 210142329 /nfs/dbraw/zinc/14/23/29/210142329.db2.gz ZARJHHCDMYLLLQ-KRWDZBQOSA-N 1 2 329.423 3.503 40 0 EHABLO Fc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000004190610 210142369 /nfs/dbraw/zinc/14/23/69/210142369.db2.gz SPWKYDUDUAOVHB-QGZVFWFLSA-N 1 2 329.423 3.503 40 0 EHABLO COc1ccc(Cc2c[nH+]cc3cc(OC)c(OC)cc32)cc1OC ZINC000001704011 209784145 /nfs/dbraw/zinc/78/41/45/209784145.db2.gz MGDZAXIOQRQEIT-UHFFFAOYSA-N 1 2 339.391 3.860 40 0 EHABLO CCOc1ccc(C(=O)Nc2cc(N)ccc2[NH+](CC)CC)cc1 ZINC000226261628 242093373 /nfs/dbraw/zinc/09/33/73/242093373.db2.gz HSKAMFQYLOEMIR-UHFFFAOYSA-N 1 2 327.428 3.766 40 0 EHABLO O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNc1cccc[nH+]1 ZINC000019118589 212000933 /nfs/dbraw/zinc/00/09/33/212000933.db2.gz COBBKVDVQDGYJK-UKTHLTGXSA-N 1 2 345.811 3.841 40 0 EHABLO COc1ccc(CN(Cc2ccco2)Cc2[nH]c[nH+]c2C)c(OC)c1 ZINC000012116754 211296607 /nfs/dbraw/zinc/29/66/07/211296607.db2.gz RRUDKJXAERYOMQ-UHFFFAOYSA-N 1 2 341.411 3.531 40 0 EHABLO COc1ccc(OC)c(CN(Cc2ccco2)Cc2[nH]c[nH+]c2C)c1 ZINC000012116757 211296358 /nfs/dbraw/zinc/29/63/58/211296358.db2.gz AYWHTTYPWNISDY-UHFFFAOYSA-N 1 2 341.411 3.531 40 0 EHABLO Cc1ccc(Oc2ccc(F)cc2OCC[NH+]2CCOCC2)cc1 ZINC000585266240 563981134 /nfs/dbraw/zinc/98/11/34/563981134.db2.gz VJLMKSSFVNGFAL-UHFFFAOYSA-N 1 2 331.387 3.637 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000107798615 563984182 /nfs/dbraw/zinc/98/41/82/563984182.db2.gz SQSDDYRBICHXBR-QAPCUYQASA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000107798615 563984183 /nfs/dbraw/zinc/98/41/83/563984183.db2.gz SQSDDYRBICHXBR-QAPCUYQASA-N 1 2 341.842 3.688 40 0 EHABLO Cc1ccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000026114456 564039151 /nfs/dbraw/zinc/03/91/51/564039151.db2.gz OIYAICXOLVAHSY-RMKNXTFCSA-N 1 2 348.490 3.704 40 0 EHABLO Fc1cccc(F)c1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225454036 564046906 /nfs/dbraw/zinc/04/69/06/564046906.db2.gz YDJNSGBFIWNZIO-UHFFFAOYSA-N 1 2 344.390 3.637 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000257304959 564055134 /nfs/dbraw/zinc/05/51/34/564055134.db2.gz SNWXYIBUIMVXHC-INIZCTEOSA-N 1 2 345.874 3.721 40 0 EHABLO Oc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328964586 564070969 /nfs/dbraw/zinc/07/09/69/564070969.db2.gz BWJUOJXINXSPQG-UHFFFAOYSA-N 1 2 346.434 3.791 40 0 EHABLO CC[C@@H](C)Nc1nc(NCc2ccc(C)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329000070 564071423 /nfs/dbraw/zinc/07/14/23/564071423.db2.gz JYWMJXVIOBBDTA-MRXNPFEDSA-N 1 2 347.466 3.513 40 0 EHABLO CNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329072503 564072211 /nfs/dbraw/zinc/07/22/11/564072211.db2.gz ZYTSIKUQVGLBHE-UHFFFAOYSA-N 1 2 328.778 3.565 40 0 EHABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000053064891 564087183 /nfs/dbraw/zinc/08/71/83/564087183.db2.gz RDYFUWNWCLICAM-SFHVURJKSA-N 1 2 349.883 3.529 40 0 EHABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000053064891 564087184 /nfs/dbraw/zinc/08/71/84/564087184.db2.gz RDYFUWNWCLICAM-SFHVURJKSA-N 1 2 349.883 3.529 40 0 EHABLO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1 ZINC000095533720 564141698 /nfs/dbraw/zinc/14/16/98/564141698.db2.gz TVRMGGHNFFJZHE-AWEZNQCLSA-N 1 2 348.328 3.547 40 0 EHABLO CCOc1ccc(-c2nc(Nc3ccccc3OC)cc(N)[nH+]2)cc1 ZINC000049468102 214010597 /nfs/dbraw/zinc/01/05/97/214010597.db2.gz HPUOFHWCBRLKQF-UHFFFAOYSA-N 1 2 336.395 3.877 40 0 EHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2c2ncccn2)n1 ZINC000072379208 216181442 /nfs/dbraw/zinc/18/14/42/216181442.db2.gz CFALJNHUHKWYDC-MRXNPFEDSA-N 1 2 334.427 3.522 40 0 EHABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cc[nH+]1 ZINC000257214362 244159138 /nfs/dbraw/zinc/15/91/38/244159138.db2.gz CLSCBEGHVQERPT-GOSISDBHSA-N 1 2 346.434 3.691 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2coc3cc(C)ccc23)[nH+]1 ZINC000257251422 244269565 /nfs/dbraw/zinc/26/95/65/244269565.db2.gz JQRXJGYSEQXZHM-QGZVFWFLSA-N 1 2 337.423 3.689 40 0 EHABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252195 244272799 /nfs/dbraw/zinc/27/27/99/244272799.db2.gz JTWNOURRFCHHKB-GOSISDBHSA-N 1 2 333.439 3.902 40 0 EHABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252195 244272801 /nfs/dbraw/zinc/27/28/01/244272801.db2.gz JTWNOURRFCHHKB-GOSISDBHSA-N 1 2 333.439 3.902 40 0 EHABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252195 244272808 /nfs/dbraw/zinc/27/28/08/244272808.db2.gz JTWNOURRFCHHKB-GOSISDBHSA-N 1 2 333.439 3.902 40 0 EHABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252195 244272812 /nfs/dbraw/zinc/27/28/12/244272812.db2.gz JTWNOURRFCHHKB-GOSISDBHSA-N 1 2 333.439 3.902 40 0 EHABLO Cc1nn(C)c(C)c1CCn1c[nH+]cc1-c1ccc2c(c1)C[C@H](C)N2C ZINC000019719474 212057416 /nfs/dbraw/zinc/05/74/16/212057416.db2.gz LTSCUPNXOHFMJK-AWEZNQCLSA-N 1 2 349.482 3.524 40 0 EHABLO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)Nc1ccccc1F ZINC000012156404 211309844 /nfs/dbraw/zinc/30/98/44/211309844.db2.gz ZFHGOWOXEBBNJG-GOSISDBHSA-N 1 2 345.418 3.793 40 0 EHABLO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)Nc1ccccc1F ZINC000012156404 211309847 /nfs/dbraw/zinc/30/98/47/211309847.db2.gz ZFHGOWOXEBBNJG-GOSISDBHSA-N 1 2 345.418 3.793 40 0 EHABLO C=COCCCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(F)cc2)n1 ZINC000012143415 519293310 /nfs/dbraw/zinc/29/33/10/519293310.db2.gz DDUHZWJIKZCNQP-UHFFFAOYSA-N 1 2 339.374 3.635 40 0 EHABLO COc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1 ZINC000226255225 536776876 /nfs/dbraw/zinc/77/68/76/536776876.db2.gz KOYMKPKZQIJYDZ-CQSZACIVSA-N 1 2 339.439 3.909 40 0 EHABLO COc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1 ZINC000226255225 536776882 /nfs/dbraw/zinc/77/68/82/536776882.db2.gz KOYMKPKZQIJYDZ-CQSZACIVSA-N 1 2 339.439 3.909 40 0 EHABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096059941 563978878 /nfs/dbraw/zinc/97/88/78/563978878.db2.gz HRTOTJCUZSUVCJ-GOSISDBHSA-N 1 2 343.446 3.568 40 0 EHABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096059941 563978879 /nfs/dbraw/zinc/97/88/79/563978879.db2.gz HRTOTJCUZSUVCJ-GOSISDBHSA-N 1 2 343.446 3.568 40 0 EHABLO Clc1ccc(Oc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000585266216 563981152 /nfs/dbraw/zinc/98/11/52/563981152.db2.gz ORUXLBCHKPAVNN-UHFFFAOYSA-N 1 2 333.815 3.843 40 0 EHABLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(F)cc1 ZINC000000098726 563996572 /nfs/dbraw/zinc/99/65/72/563996572.db2.gz OJXAPABJWLTEKG-OAHLLOKOSA-N 1 2 328.387 3.568 40 0 EHABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000219852259 564035474 /nfs/dbraw/zinc/03/54/74/564035474.db2.gz ABZMJOOAZLGFRP-UHFFFAOYSA-N 1 2 338.407 3.579 40 0 EHABLO CCc1ccc(CC)c(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000224341509 564042470 /nfs/dbraw/zinc/04/24/70/564042470.db2.gz PYFCWVQONMDJOA-UHFFFAOYSA-N 1 2 347.462 3.986 40 0 EHABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3ncc[nH]3)ccn2)n1 ZINC000257297080 564054951 /nfs/dbraw/zinc/05/49/51/564054951.db2.gz RFSYQGLIEIEHIO-INIZCTEOSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+]3Cc3ncc[nH]3)ccn2)n1 ZINC000257297080 564054952 /nfs/dbraw/zinc/05/49/52/564054952.db2.gz RFSYQGLIEIEHIO-INIZCTEOSA-N 1 2 334.427 3.589 40 0 EHABLO Fc1cccc(F)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328969375 564071063 /nfs/dbraw/zinc/07/10/63/564071063.db2.gz DDRRBYNKENVXOO-UHFFFAOYSA-N 1 2 330.382 3.574 40 0 EHABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329051945 564071929 /nfs/dbraw/zinc/07/19/29/564071929.db2.gz VADMGMHOYBBYNI-UHFFFAOYSA-N 1 2 338.455 3.695 40 0 EHABLO Cc1ccc(SCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044904783 213668034 /nfs/dbraw/zinc/66/80/34/213668034.db2.gz WFWGNWSCZQYRFF-UHFFFAOYSA-N 1 2 337.448 3.589 40 0 EHABLO CNc1cc([C@H]2CCCN2C(=O)COc2ccccc2Cl)cc[nH+]1 ZINC000257211726 244153124 /nfs/dbraw/zinc/15/31/24/244153124.db2.gz CADMOHFOASTCPH-OAHLLOKOSA-N 1 2 345.830 3.519 40 0 EHABLO COc1ccc2[nH]c(-c3c[nH+]cn3CCCC(C)(C)CO)cc2c1 ZINC000019719705 212057146 /nfs/dbraw/zinc/05/71/46/212057146.db2.gz YHLFFXSKHRUNAI-UHFFFAOYSA-N 1 2 327.428 3.839 40 0 EHABLO C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C1 ZINC000019496474 212031785 /nfs/dbraw/zinc/03/17/85/212031785.db2.gz MDMGJFZODPXRLS-MRXNPFEDSA-N 1 2 334.423 3.535 40 0 EHABLO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cn1nc(-c3cccs3)ccc1=O)C2 ZINC000079488734 217232794 /nfs/dbraw/zinc/23/27/94/217232794.db2.gz OLDIXQFWYWOBEE-LIRRHRJNSA-N 1 2 343.496 3.830 40 0 EHABLO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cn1nc(-c3cccs3)ccc1=O)C2 ZINC000079488734 217232798 /nfs/dbraw/zinc/23/27/98/217232798.db2.gz OLDIXQFWYWOBEE-LIRRHRJNSA-N 1 2 343.496 3.830 40 0 EHABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)cn2c1 ZINC000012088196 211289530 /nfs/dbraw/zinc/28/95/30/211289530.db2.gz MEZCUSOSVVFILN-CQSZACIVSA-N 1 2 331.419 3.997 40 0 EHABLO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044901378 563927828 /nfs/dbraw/zinc/92/78/28/563927828.db2.gz FIPKOCYXHWDTQL-LJQANCHMSA-N 1 2 349.434 3.655 40 0 EHABLO COc1ccc(Cl)cc1C(=O)NCCC[N@H+](C)c1ccc(C)cc1 ZINC000225041476 564044450 /nfs/dbraw/zinc/04/44/50/564044450.db2.gz DPNZMHKRDPDVJQ-UHFFFAOYSA-N 1 2 346.858 3.913 40 0 EHABLO COc1ccc(Cl)cc1C(=O)NCCC[N@@H+](C)c1ccc(C)cc1 ZINC000225041476 564044451 /nfs/dbraw/zinc/04/44/51/564044451.db2.gz DPNZMHKRDPDVJQ-UHFFFAOYSA-N 1 2 346.858 3.913 40 0 EHABLO CCCOc1ccccc1CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225626689 564048609 /nfs/dbraw/zinc/04/86/09/564048609.db2.gz CGJZUEYLMNTUPF-UHFFFAOYSA-N 1 2 329.469 3.790 40 0 EHABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)C2 ZINC000257286733 564054736 /nfs/dbraw/zinc/05/47/36/564054736.db2.gz PMUNLUZCLPDHNN-KRWDZBQOSA-N 1 2 337.448 3.579 40 0 EHABLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112299 564145380 /nfs/dbraw/zinc/14/53/80/564145380.db2.gz RHBKNBUEWYUFJY-APWZRJJASA-N 1 2 339.414 3.610 40 0 biogenic,in-vitro EHABLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112299 564145381 /nfs/dbraw/zinc/14/53/81/564145381.db2.gz RHBKNBUEWYUFJY-APWZRJJASA-N 1 2 339.414 3.610 40 0 biogenic,in-vitro EHABLO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)[nH]c2c1 ZINC000096112299 564145382 /nfs/dbraw/zinc/14/53/82/564145382.db2.gz RHBKNBUEWYUFJY-APWZRJJASA-N 1 2 339.414 3.610 40 0 biogenic,in-vitro EHABLO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)[nH]c2c1 ZINC000096112299 564145383 /nfs/dbraw/zinc/14/53/83/564145383.db2.gz RHBKNBUEWYUFJY-APWZRJJASA-N 1 2 339.414 3.610 40 0 biogenic,in-vitro EHABLO COc1ccc[nH+]c1NCc1cc2cc(C(C)(C)C)ccc2[nH]c1=O ZINC000072389366 216190251 /nfs/dbraw/zinc/19/02/51/216190251.db2.gz PKHOIKOTWCRVQD-UHFFFAOYSA-N 1 2 337.423 3.841 40 0 EHABLO c1coc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2ccco2)c1 ZINC000072396569 216191986 /nfs/dbraw/zinc/19/19/86/216191986.db2.gz BZBXEBGXGVTAQO-UHFFFAOYSA-N 1 2 335.367 3.695 40 0 EHABLO CC(C)(C)c1ccc2[nH]c(=O)c(C[NH2+]c3ccc(O)cc3O)cc2c1 ZINC000072396095 216193316 /nfs/dbraw/zinc/19/33/16/216193316.db2.gz MSSPLAOJQAROQU-UHFFFAOYSA-N 1 2 338.407 3.849 40 0 EHABLO Cc1nc(C[N@@H+]2CCCC[C@H]2c2cc(C)n3ccnc3n2)cs1 ZINC000257223963 244194758 /nfs/dbraw/zinc/19/47/58/244194758.db2.gz DZRUCENQKNPULY-INIZCTEOSA-N 1 2 327.457 3.530 40 0 EHABLO Cc1nc(C[N@H+]2CCCC[C@H]2c2cc(C)n3ccnc3n2)cs1 ZINC000257223963 244194766 /nfs/dbraw/zinc/19/47/66/244194766.db2.gz DZRUCENQKNPULY-INIZCTEOSA-N 1 2 327.457 3.530 40 0 EHABLO Cc1nc(C[N@@H+]2CCCC[C@@H]2c2cc(C)n3ccnc3n2)cs1 ZINC000257223964 244194845 /nfs/dbraw/zinc/19/48/45/244194845.db2.gz DZRUCENQKNPULY-MRXNPFEDSA-N 1 2 327.457 3.530 40 0 EHABLO Cc1nc(C[N@H+]2CCCC[C@@H]2c2cc(C)n3ccnc3n2)cs1 ZINC000257223964 244194849 /nfs/dbraw/zinc/19/48/49/244194849.db2.gz DZRUCENQKNPULY-MRXNPFEDSA-N 1 2 327.457 3.530 40 0 EHABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)C3CCCC3)C2)c2sccn12 ZINC000257257871 244288417 /nfs/dbraw/zinc/28/84/17/244288417.db2.gz KRKOMXXILKHGHG-GOSISDBHSA-N 1 2 331.485 3.775 40 0 EHABLO CCCn1cc(-c2c[nH+]cn2CCOc2ccc(Cl)cc2)cn1 ZINC000019719661 212057628 /nfs/dbraw/zinc/05/76/28/212057628.db2.gz NFTAKPPWUBYKOM-UHFFFAOYSA-N 1 2 330.819 3.889 40 0 EHABLO C=Cn1ncc(C[N@@H+]2CCc3[nH]c4ccc(OCC)cc4c3C2)c1C ZINC000012191754 211315949 /nfs/dbraw/zinc/31/59/49/211315949.db2.gz UOCGEITYOZPHTI-UHFFFAOYSA-N 1 2 336.439 3.730 40 0 EHABLO C=Cn1ncc(C[N@H+]2CCc3[nH]c4ccc(OCC)cc4c3C2)c1C ZINC000012191754 211315952 /nfs/dbraw/zinc/31/59/52/211315952.db2.gz UOCGEITYOZPHTI-UHFFFAOYSA-N 1 2 336.439 3.730 40 0 EHABLO CNc1[nH+]cc([C@@H]2CCCN2C(=O)OCc2ccccc2)cc1C ZINC000072218975 257687573 /nfs/dbraw/zinc/68/75/73/257687573.db2.gz YAACYFZFUOQKDL-KRWDZBQOSA-N 1 2 325.412 3.905 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000329058409 257902136 /nfs/dbraw/zinc/90/21/36/257902136.db2.gz WCRJYIUJCHOLTF-JTQLQIEISA-N 1 2 334.826 3.944 40 0 EHABLO Clc1ccc(Cl)c(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329022636 257904713 /nfs/dbraw/zinc/90/47/13/257904713.db2.gz OODAWWOOHDRFSW-UHFFFAOYSA-N 1 2 335.238 3.823 40 0 EHABLO CNc1nc(Nc2ccc(Br)c(C)c2)cc(C2CC2)[nH+]1 ZINC000328966265 564059128 /nfs/dbraw/zinc/05/91/28/564059128.db2.gz CKPJIAUWRDBXOS-UHFFFAOYSA-N 1 2 333.233 3.632 40 0 EHABLO Cc1ccc([NH+]2CCC(C(=O)NCCSC(C)(C)C)CC2)cc1 ZINC000219854011 564035502 /nfs/dbraw/zinc/03/55/02/564035502.db2.gz BAZZGASVQBHONP-UHFFFAOYSA-N 1 2 334.529 3.859 40 0 EHABLO Cc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000225452385 564046887 /nfs/dbraw/zinc/04/68/87/564046887.db2.gz YYMGZNUAIVVTHZ-UHFFFAOYSA-N 1 2 336.464 3.976 40 0 EHABLO Cc1ccc2c(c1)[C@H](NC(=S)Nc1cc[nH+]cc1)CC(C)(C)O2 ZINC000225676638 564049324 /nfs/dbraw/zinc/04/93/24/564049324.db2.gz AQVZALBDBWFAKF-OAHLLOKOSA-N 1 2 327.453 3.979 40 0 EHABLO Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cc[nH+]cc1)CC(C)(C)O2 ZINC000225676613 564049340 /nfs/dbraw/zinc/04/93/40/564049340.db2.gz AQVZALBDBWFAKF-HNNXBMFYSA-N 1 2 327.453 3.979 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3coc4cc(C)ccc34)C2)[nH+]1 ZINC000257288346 564054825 /nfs/dbraw/zinc/05/48/25/564054825.db2.gz PTVWTCVWMTUPLJ-OAHLLOKOSA-N 1 2 337.423 3.721 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3c(C)oc4c3CCCC4)C2)[nH+]1 ZINC000257293111 564054881 /nfs/dbraw/zinc/05/48/81/564054881.db2.gz QODMILZWRWPCJF-CQSZACIVSA-N 1 2 327.428 3.518 40 0 EHABLO Cc1nc(N2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)cc[nH+]1 ZINC000257337370 564055705 /nfs/dbraw/zinc/05/57/05/564055705.db2.gz YSMXOAKKJNMXMB-QGZVFWFLSA-N 1 2 338.386 3.844 40 0 EHABLO CC[C@@H](C)Nc1nc(NCc2cccc(C)c2)cc(-c2cccnc2)[nH+]1 ZINC000328993816 564071331 /nfs/dbraw/zinc/07/13/31/564071331.db2.gz JCMXBQWVKLQBHQ-MRXNPFEDSA-N 1 2 347.466 3.513 40 0 EHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c(OC)c1 ZINC000329044923 564071868 /nfs/dbraw/zinc/07/18/68/564071868.db2.gz SYVKEKKVMKVQPT-UHFFFAOYSA-N 1 2 342.443 3.747 40 0 EHABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095533740 564141643 /nfs/dbraw/zinc/14/16/43/564141643.db2.gz VVXNSBURJHBTHJ-QGZVFWFLSA-N 1 2 336.439 3.826 40 0 EHABLO c1ccc(N2N=N[C@H]3C4CC([C@@H]5[C@@H]4N=[NH+]N5c4ccccc4)[C@H]32)cc1 ZINC000004721934 210259874 /nfs/dbraw/zinc/25/98/74/210259874.db2.gz GXZOSPLKQHPMGJ-WGIWXZLNSA-N 1 2 330.395 3.885 40 0 EHABLO C[C@H](c1nccs1)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000072203852 216069403 /nfs/dbraw/zinc/06/94/03/216069403.db2.gz HYOHYHVBRSKCIP-GFCCVEGCSA-N 1 2 325.478 3.535 40 0 EHABLO Cc1nnc(Nc2cc([C@H]3CCC[N@@H+]3C3CCCC3)nc(C)n2)s1 ZINC000072360096 216166106 /nfs/dbraw/zinc/16/61/06/216166106.db2.gz OMWMVJXXZPVCTI-OAHLLOKOSA-N 1 2 344.488 3.768 40 0 EHABLO Cc1nnc(Nc2cc([C@H]3CCC[N@H+]3C3CCCC3)nc(C)n2)s1 ZINC000072360096 216166108 /nfs/dbraw/zinc/16/61/08/216166108.db2.gz OMWMVJXXZPVCTI-OAHLLOKOSA-N 1 2 344.488 3.768 40 0 EHABLO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289499 212288677 /nfs/dbraw/zinc/28/86/77/212288677.db2.gz SSZAYSKACUQUDL-RRFJBIMHSA-N 1 2 333.501 3.894 40 0 EHABLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCC2 ZINC000223253754 241623381 /nfs/dbraw/zinc/62/33/81/241623381.db2.gz GHUYRDZWYXTOBK-INIZCTEOSA-N 1 2 345.446 3.911 40 0 EHABLO COc1ccc(C2(NC(=S)Nc3cc[nH+]cc3)CCCC2)cc1 ZINC000225874374 242067327 /nfs/dbraw/zinc/06/73/27/242067327.db2.gz PYDOYIMVRXKPJW-UHFFFAOYSA-N 1 2 327.453 3.846 40 0 EHABLO CC[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(OC)c(OC)c1 ZINC000225721625 242003234 /nfs/dbraw/zinc/00/32/34/242003234.db2.gz JQMQQXKSDFCNCK-CQSZACIVSA-N 1 2 331.441 3.537 40 0 EHABLO CC[N@H+](CCCNC(=S)Nc1cc(C)ccn1)c1ccc(C)cc1 ZINC000225735191 242009850 /nfs/dbraw/zinc/00/98/50/242009850.db2.gz YALXHTLSXXERNU-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO CC[N@@H+](CCCNC(=S)Nc1cc(C)ccn1)c1ccc(C)cc1 ZINC000225735191 242009857 /nfs/dbraw/zinc/00/98/57/242009857.db2.gz YALXHTLSXXERNU-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1[NH+]1CCCCC1 ZINC000226329918 242097546 /nfs/dbraw/zinc/09/75/46/242097546.db2.gz JXDYHUQSKGLASJ-UHFFFAOYSA-N 1 2 327.403 3.959 40 0 EHABLO Cc1nn(C)c(C)c1CCn1c[nH+]cc1-c1ccc2c(c1)C[C@@H](C)N2C ZINC000019719473 212056797 /nfs/dbraw/zinc/05/67/97/212056797.db2.gz LTSCUPNXOHFMJK-CQSZACIVSA-N 1 2 349.482 3.524 40 0 EHABLO c1c2ccccc2oc1-c1nnc2sc(C[NH+]3CCCCC3)nn21 ZINC000096194071 218662663 /nfs/dbraw/zinc/66/26/63/218662663.db2.gz RGIBXMGOCKQBDW-UHFFFAOYSA-N 1 2 339.424 3.585 40 0 EHABLO CC(C)(C)n1nc(Cc2ccc3ccccc3c2)c2c1nc[nH+]c2N ZINC000002576348 563442860 /nfs/dbraw/zinc/44/28/60/563442860.db2.gz MHCAHEOZFDJGMB-UHFFFAOYSA-N 1 2 331.423 3.908 40 0 EHABLO CCOC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096100442 563979260 /nfs/dbraw/zinc/97/92/60/563979260.db2.gz UEUAOIZRIKCUAL-QGZVFWFLSA-N 1 2 343.446 3.568 40 0 EHABLO CCOC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096100442 563979261 /nfs/dbraw/zinc/97/92/61/563979261.db2.gz UEUAOIZRIKCUAL-QGZVFWFLSA-N 1 2 343.446 3.568 40 0 EHABLO Clc1cccc(Oc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000585266167 563981156 /nfs/dbraw/zinc/98/11/56/563981156.db2.gz DLOHWLGUPMRNEC-UHFFFAOYSA-N 1 2 333.815 3.843 40 0 EHABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=S)NCC(C)C)CC1 ZINC000001380400 564003550 /nfs/dbraw/zinc/00/35/50/564003550.db2.gz YCCXLZRMVCKJLU-UHFFFAOYSA-N 1 2 348.491 3.651 40 0 EHABLO Cc1cc(C)n(-c2cc(N3CCCCC3)[nH+]c(-c3ccccc3)n2)n1 ZINC000003140126 564012944 /nfs/dbraw/zinc/01/29/44/564012944.db2.gz PWPWDYVFKPWDGY-UHFFFAOYSA-N 1 2 333.439 3.936 40 0 EHABLO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cc[nH+]cc1 ZINC000225688927 564049389 /nfs/dbraw/zinc/04/93/89/564049389.db2.gz DQSKFPZRZMDZBP-HNNXBMFYSA-N 1 2 343.452 3.679 40 0 EHABLO Cc1cc(CC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)cc[nH+]1 ZINC000257330122 564055547 /nfs/dbraw/zinc/05/55/47/564055547.db2.gz XMYDZARCUQBBSW-UHFFFAOYSA-N 1 2 336.426 3.997 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)cc[nH+]1 ZINC000257341986 564055751 /nfs/dbraw/zinc/05/57/51/564055751.db2.gz ZMPSMQBDHUHYQZ-SFHVURJKSA-N 1 2 335.451 3.543 40 0 EHABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)ccc1C(C)C ZINC000328967291 564071014 /nfs/dbraw/zinc/07/10/14/564071014.db2.gz CTFZESWCMOOCHQ-AWEZNQCLSA-N 1 2 340.471 3.744 40 0 EHABLO FC(F)(F)c1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328981590 564071215 /nfs/dbraw/zinc/07/12/15/564071215.db2.gz GUOGNKSRTNXNMT-UHFFFAOYSA-N 1 2 334.345 3.535 40 0 EHABLO CC[C@H](C)Nc1nc(NCc2cccc(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000329016019 564071577 /nfs/dbraw/zinc/07/15/77/564071577.db2.gz NFEJYRKDQZRVOQ-INIZCTEOSA-N 1 2 347.466 3.513 40 0 EHABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329022101 564071594 /nfs/dbraw/zinc/07/15/94/564071594.db2.gz OKCZYEVSZKCKDH-QGZVFWFLSA-N 1 2 344.434 3.974 40 0 EHABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000226253705 564117258 /nfs/dbraw/zinc/11/72/58/564117258.db2.gz XFMWVDFYIBHSOW-UHFFFAOYSA-N 1 2 336.650 3.568 40 0 EHABLO COc1ccc(SCCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225804027 242042737 /nfs/dbraw/zinc/04/27/37/242042737.db2.gz DYBPEMXGZJMKNG-UHFFFAOYSA-N 1 2 333.482 3.559 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257230482 244209860 /nfs/dbraw/zinc/20/98/60/244209860.db2.gz GCNLUCOBFDSUIE-OAHLLOKOSA-N 1 2 325.441 3.574 40 0 EHABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257230482 244209865 /nfs/dbraw/zinc/20/98/65/244209865.db2.gz GCNLUCOBFDSUIE-OAHLLOKOSA-N 1 2 325.441 3.574 40 0 EHABLO Cc1cc(C)n(CCCn2c[nH+]cc2-c2ccc3c(c2)C[C@@H](C)N3C)n1 ZINC000019719444 212057475 /nfs/dbraw/zinc/05/74/75/212057475.db2.gz IYMGQYQQQOHGBY-MRXNPFEDSA-N 1 2 349.482 3.835 40 0 EHABLO CCn1nc(C)c(-c2c[nH+]cn2CCn2nc(C)c(Cl)c2C)c1C ZINC000019719629 212056617 /nfs/dbraw/zinc/05/66/17/212056617.db2.gz NJGIJLIRFUDJAG-UHFFFAOYSA-N 1 2 346.866 3.550 40 0 EHABLO CCn1c(C)[nH+]c2cc(NC(=O)c3ccnc(N4CCCC4)c3)ccc21 ZINC000019657439 212054604 /nfs/dbraw/zinc/05/46/04/212054604.db2.gz FGXCBHXTWRTEKP-UHFFFAOYSA-N 1 2 349.438 3.612 40 0 EHABLO COc1ccc([C@@H](O)/C(=C\n2cc[nH+]c2)c2ccccc2)cc1OC ZINC000017216516 563841004 /nfs/dbraw/zinc/84/10/04/563841004.db2.gz IKCJARORQJCFIF-MBGNVJMVSA-N 1 2 336.391 3.632 40 0 EHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2 ZINC000225629535 564048653 /nfs/dbraw/zinc/04/86/53/564048653.db2.gz ZCFBXUGSCXSVAQ-UHFFFAOYSA-N 1 2 331.419 3.681 40 0 EHABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cccc3ncccc32)cc[nH+]1 ZINC000257287368 564054770 /nfs/dbraw/zinc/05/47/70/564054770.db2.gz PPPPDVHBYNIRKQ-LJQANCHMSA-N 1 2 346.434 3.673 40 0 EHABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2cccs2)cc1 ZINC000257296803 564054981 /nfs/dbraw/zinc/05/49/81/564054981.db2.gz RELXNYDWJCYTDC-QGZVFWFLSA-N 1 2 325.437 3.710 40 0 EHABLO O=C(CCc1ccccc1F)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257299376 564055051 /nfs/dbraw/zinc/05/50/51/564055051.db2.gz RPTRHFQOOGNOOI-LJQANCHMSA-N 1 2 349.409 3.739 40 0 EHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc[nH+]1 ZINC000257320676 564055379 /nfs/dbraw/zinc/05/53/79/564055379.db2.gz VXZCVBOBNITYOB-SFHVURJKSA-N 1 2 341.430 3.583 40 0 EHABLO CC(C)(C)Nc1nc(NCCc2ccncc2)cc(-c2ccccc2)[nH+]1 ZINC000328970356 564071097 /nfs/dbraw/zinc/07/10/97/564071097.db2.gz DJTGYUBJYYIJGM-UHFFFAOYSA-N 1 2 347.466 3.826 40 0 EHABLO CNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(C2CC2)[nH+]1 ZINC000328980870 564071191 /nfs/dbraw/zinc/07/11/91/564071191.db2.gz GQSZCMGGJHKVBK-UHFFFAOYSA-N 1 2 338.333 3.768 40 0 EHABLO CC[C@H](C)Nc1nc(NCc2ccc(C)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329000068 564071415 /nfs/dbraw/zinc/07/14/15/564071415.db2.gz JYWMJXVIOBBDTA-INIZCTEOSA-N 1 2 347.466 3.513 40 0 EHABLO Fc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329005175 564071421 /nfs/dbraw/zinc/07/14/21/564071421.db2.gz KWIURRUGJIQHNW-UHFFFAOYSA-N 1 2 326.419 3.825 40 0 EHABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(F)c1F ZINC000329021741 564071612 /nfs/dbraw/zinc/07/16/12/564071612.db2.gz OIJRPPAXHHRNNW-UHFFFAOYSA-N 1 2 348.372 3.713 40 0 EHABLO CC[N@H+](CCCNC(=S)Nc1cccc(C)n1)c1ccc(C)cc1 ZINC000225735145 242009869 /nfs/dbraw/zinc/00/98/69/242009869.db2.gz YNYUIWDELRCIHL-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO CC[N@@H+](CCCNC(=S)Nc1cccc(C)n1)c1ccc(C)cc1 ZINC000225735145 242009875 /nfs/dbraw/zinc/00/98/75/242009875.db2.gz YNYUIWDELRCIHL-UHFFFAOYSA-N 1 2 342.512 3.901 40 0 EHABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)ccn1 ZINC000257222182 244189428 /nfs/dbraw/zinc/18/94/28/244189428.db2.gz DSHCDBVBXOWNPI-MRXNPFEDSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2ncc[nH]2)ccn1 ZINC000257222182 244189435 /nfs/dbraw/zinc/18/94/35/244189435.db2.gz DSHCDBVBXOWNPI-MRXNPFEDSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)ccn1 ZINC000257222182 244189442 /nfs/dbraw/zinc/18/94/42/244189442.db2.gz DSHCDBVBXOWNPI-MRXNPFEDSA-N 1 2 334.427 3.589 40 0 EHABLO C[NH+]1CCC(n2[nH]c(-c3ccccc3)c(Cc3ccccc3)c2=O)CC1 ZINC000000001019 563211413 /nfs/dbraw/zinc/21/14/13/563211413.db2.gz KMGARVOVYXNAOF-UHFFFAOYSA-N 1 2 347.462 3.701 40 0 in-man EHABLO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c1Cl ZINC000225214768 564045415 /nfs/dbraw/zinc/04/54/15/564045415.db2.gz CAUBDSKCFHCYLV-UHFFFAOYSA-N 1 2 349.887 3.756 40 0 EHABLO CC[C@H](C)Nc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329012662 564071538 /nfs/dbraw/zinc/07/15/38/564071538.db2.gz MLTAEAWXFKGDEA-JTQLQIEISA-N 1 2 334.826 3.944 40 0 EHABLO O=C(CCSc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020043258 212097365 /nfs/dbraw/zinc/09/73/65/212097365.db2.gz XZRMWYSTAAJPPV-UHFFFAOYSA-N 1 2 337.448 3.671 40 0 EHABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]cn2)ccn1 ZINC000257267054 244362926 /nfs/dbraw/zinc/36/29/26/244362926.db2.gz MFTKQFKWHDCUCE-QGZVFWFLSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2c[nH]cn2)ccn1 ZINC000257267054 244362929 /nfs/dbraw/zinc/36/29/29/244362929.db2.gz MFTKQFKWHDCUCE-QGZVFWFLSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257267054 244362933 /nfs/dbraw/zinc/36/29/33/244362933.db2.gz MFTKQFKWHDCUCE-QGZVFWFLSA-N 1 2 334.427 3.589 40 0 EHABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)ccn1 ZINC000257267054 244362939 /nfs/dbraw/zinc/36/29/39/244362939.db2.gz MFTKQFKWHDCUCE-QGZVFWFLSA-N 1 2 334.427 3.589 40 0 EHABLO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1ccccc1C)C2O ZINC000019326254 212017224 /nfs/dbraw/zinc/01/72/24/212017224.db2.gz DCHIDFMPBNCESG-UHFFFAOYSA-N 1 2 328.500 3.572 40 0 EHABLO CC(C)Oc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000030940433 563911788 /nfs/dbraw/zinc/91/17/88/563911788.db2.gz IVIRXAYEEGPZIY-UHFFFAOYSA-N 1 2 335.407 3.971 40 0 EHABLO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030943904 563911835 /nfs/dbraw/zinc/91/18/35/563911835.db2.gz NSIPRSFXJOJQJA-KRWDZBQOSA-N 1 2 333.435 3.683 40 0 EHABLO CSc1ncc(C[N@@H+](Cc2ccccc2F)C[C@H]2CCCO2)cn1 ZINC000057811072 563935948 /nfs/dbraw/zinc/93/59/48/563935948.db2.gz QHMMMOFEAYXSHN-MRXNPFEDSA-N 1 2 347.459 3.519 40 0 EHABLO CSc1ncc(C[N@H+](Cc2ccccc2F)C[C@H]2CCCO2)cn1 ZINC000057811072 563935950 /nfs/dbraw/zinc/93/59/50/563935950.db2.gz QHMMMOFEAYXSHN-MRXNPFEDSA-N 1 2 347.459 3.519 40 0 EHABLO Brc1ccc(-c2[nH]c3cc4c(cc3[nH+]2)OCCO4)cc1 ZINC000005531001 564014082 /nfs/dbraw/zinc/01/40/82/564014082.db2.gz UJKSFJJPSHHFLW-UHFFFAOYSA-N 1 2 331.169 3.764 40 0 EHABLO C[NH+](C)c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1 ZINC000013563470 564020293 /nfs/dbraw/zinc/02/02/93/564020293.db2.gz AGMFBKWXFNXXEF-UHFFFAOYSA-N 1 2 333.435 3.695 40 0 EHABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cccnc2)cc1OC ZINC000013989636 564020824 /nfs/dbraw/zinc/02/08/24/564020824.db2.gz DAOQGWRPVZTSOH-UHFFFAOYSA-N 1 2 349.434 3.696 40 0 EHABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)cc1OC ZINC000013989636 564020825 /nfs/dbraw/zinc/02/08/25/564020825.db2.gz DAOQGWRPVZTSOH-UHFFFAOYSA-N 1 2 349.434 3.696 40 0 EHABLO COc1ccc(CC[N@@H+]2CCOc3nc4c(C)cccc4cc3C2)cc1 ZINC000057718836 564035105 /nfs/dbraw/zinc/03/51/05/564035105.db2.gz MTTLOVBAYVPKSG-UHFFFAOYSA-N 1 2 348.446 3.989 40 0 EHABLO COc1ccc(CC[N@H+]2CCOc3nc4c(C)cccc4cc3C2)cc1 ZINC000057718836 564035106 /nfs/dbraw/zinc/03/51/06/564035106.db2.gz MTTLOVBAYVPKSG-UHFFFAOYSA-N 1 2 348.446 3.989 40 0 EHABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)Cc1cccs1)C2 ZINC000257286734 564054750 /nfs/dbraw/zinc/05/47/50/564054750.db2.gz PMUNLUZCLPDHNN-QGZVFWFLSA-N 1 2 337.448 3.579 40 0 EHABLO Cc1cc(N2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)nc[nH+]1 ZINC000257293845 564054926 /nfs/dbraw/zinc/05/49/26/564054926.db2.gz QRKJCHLROKUCIC-KRWDZBQOSA-N 1 2 338.386 3.844 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)[nH+]1 ZINC000257326230 564055499 /nfs/dbraw/zinc/05/54/99/564055499.db2.gz WWJZUXDAVOBBSY-IBGZPJMESA-N 1 2 337.467 3.627 40 0 EHABLO O=C(C1CC1)N1CCC2(CCc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306131110 564062133 /nfs/dbraw/zinc/06/21/33/564062133.db2.gz JWWZKNGGQSIOHN-UHFFFAOYSA-N 1 2 341.480 3.577 40 0 EHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1C(F)(F)F ZINC000328965655 564071018 /nfs/dbraw/zinc/07/10/18/564071018.db2.gz CEXFDRSLOJUONA-UHFFFAOYSA-N 1 2 348.372 3.843 40 0 EHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328990375 564071364 /nfs/dbraw/zinc/07/13/64/564071364.db2.gz IOQBPJCTVISEJF-MRXNPFEDSA-N 1 2 330.407 3.666 40 0 EHABLO Fc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1F ZINC000329009678 564071501 /nfs/dbraw/zinc/07/15/01/564071501.db2.gz LWSWRPTXYOXREV-UHFFFAOYSA-N 1 2 330.382 3.574 40 0 EHABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)[nH+]1 ZINC000329024825 564071671 /nfs/dbraw/zinc/07/16/71/564071671.db2.gz PCBNFNSCGMATOI-ZDUSSCGKSA-N 1 2 340.471 3.610 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329030304 564071702 /nfs/dbraw/zinc/07/17/02/564071702.db2.gz QCRBDSVLMFESHX-SECBINFHSA-N 1 2 336.361 3.569 40 0 EHABLO CCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329063398 564072073 /nfs/dbraw/zinc/07/20/73/564072073.db2.gz XDVXEUYPEMCCDV-UHFFFAOYSA-N 1 2 342.805 3.955 40 0 EHABLO FC(F)(F)c1cc(-c2ccccc2)nc(NCCCn2cc[nH+]c2)n1 ZINC000005908675 564072515 /nfs/dbraw/zinc/07/25/15/564072515.db2.gz USORYLDUWGYXEU-UHFFFAOYSA-N 1 2 347.344 3.861 40 0 EHABLO [NH3+][C@H](c1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533934 564141640 /nfs/dbraw/zinc/14/16/40/564141640.db2.gz MBCVETWNFCHZFM-HNNXBMFYSA-N 1 2 349.221 3.739 40 0 EHABLO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000067898786 215244830 /nfs/dbraw/zinc/24/48/30/215244830.db2.gz XVLLTEZQSOEEOO-IBGZPJMESA-N 1 2 341.455 3.791 40 0 biogenic,in-vitro EHABLO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)cc1 ZINC000067898786 215244833 /nfs/dbraw/zinc/24/48/33/215244833.db2.gz XVLLTEZQSOEEOO-IBGZPJMESA-N 1 2 341.455 3.791 40 0 biogenic,in-vitro EHABLO O=C(NCCSC1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038852888 213228194 /nfs/dbraw/zinc/22/81/94/213228194.db2.gz XUPMZHLXYDVDTI-UHFFFAOYSA-N 1 2 343.496 3.727 40 0 EHABLO Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3[nH]cc[nH+]3)n2)s1 ZINC000072375530 216179987 /nfs/dbraw/zinc/17/99/87/216179987.db2.gz VYVVQCAOCOTZRU-CQSZACIVSA-N 1 2 340.456 3.650 40 0 EHABLO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ncc[nH]3)n2)s1 ZINC000072375530 216179990 /nfs/dbraw/zinc/17/99/90/216179990.db2.gz VYVVQCAOCOTZRU-CQSZACIVSA-N 1 2 340.456 3.650 40 0 EHABLO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ncc[nH]3)n2)s1 ZINC000072375530 216179993 /nfs/dbraw/zinc/17/99/93/216179993.db2.gz VYVVQCAOCOTZRU-CQSZACIVSA-N 1 2 340.456 3.650 40 0 EHABLO Cc1nc2c(c(Nc3nccs3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072380813 216182816 /nfs/dbraw/zinc/18/28/16/216182816.db2.gz CBJWINSBCPNDBG-UHFFFAOYSA-N 1 2 337.452 3.543 40 0 EHABLO Cc1nc2c(c(Nc3nccs3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072380813 216182820 /nfs/dbraw/zinc/18/28/20/216182820.db2.gz CBJWINSBCPNDBG-UHFFFAOYSA-N 1 2 337.452 3.543 40 0 EHABLO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[NH+]1CCCCC1 ZINC000226330414 242098887 /nfs/dbraw/zinc/09/88/87/242098887.db2.gz SIBJQZNGDZKMIV-UHFFFAOYSA-N 1 2 327.403 3.959 40 0 EHABLO CC[C@H](C)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000244419519 243037956 /nfs/dbraw/zinc/03/79/56/243037956.db2.gz YSTLEVCYSKEQNW-GOEBONIOSA-N 1 2 326.444 3.945 40 0 EHABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257204414 244131105 /nfs/dbraw/zinc/13/11/05/244131105.db2.gz AULMEYQEAJLVJD-CQSZACIVSA-N 1 2 341.440 3.542 40 0 EHABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257204414 244131112 /nfs/dbraw/zinc/13/11/12/244131112.db2.gz AULMEYQEAJLVJD-CQSZACIVSA-N 1 2 341.440 3.542 40 0 EHABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3ccsc3)n2)n1 ZINC000257204349 244131151 /nfs/dbraw/zinc/13/11/51/244131151.db2.gz AUCUAQOCYAPOTC-MRXNPFEDSA-N 1 2 339.468 3.882 40 0 EHABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3ccsc3)n2)n1 ZINC000257204349 244131155 /nfs/dbraw/zinc/13/11/55/244131155.db2.gz AUCUAQOCYAPOTC-MRXNPFEDSA-N 1 2 339.468 3.882 40 0 EHABLO Cc1ccc(-n2cc(-c3c[nH+]cn3CCCC(C)(C)CO)cn2)cc1 ZINC000019719542 212056606 /nfs/dbraw/zinc/05/66/06/212056606.db2.gz PQBVKXCAGGIETR-UHFFFAOYSA-N 1 2 338.455 3.843 40 0 EHABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096060317 218553562 /nfs/dbraw/zinc/55/35/62/218553562.db2.gz OMROLHUPNHHFCC-MRXNPFEDSA-N 1 2 345.512 3.799 40 0 EHABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096060317 218553564 /nfs/dbraw/zinc/55/35/64/218553564.db2.gz OMROLHUPNHHFCC-MRXNPFEDSA-N 1 2 345.512 3.799 40 0 EHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328990374 257907293 /nfs/dbraw/zinc/90/72/93/257907293.db2.gz IOQBPJCTVISEJF-INIZCTEOSA-N 1 2 330.407 3.666 40 0 EHABLO O=C1c2ccccc2N(C[NH2+]C(c2ccccc2)c2ccccc2)C1=O ZINC000031717364 563912938 /nfs/dbraw/zinc/91/29/38/563912938.db2.gz CCCSHKFXZRXHQV-UHFFFAOYSA-N 1 2 342.398 3.553 40 0 EHABLO Cc1ccc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)s1 ZINC000096085120 563979126 /nfs/dbraw/zinc/97/91/26/563979126.db2.gz JRXTVSARCMBZPO-UHFFFAOYSA-N 1 2 341.436 3.577 40 0 EHABLO Cc1ccc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)s1 ZINC000096085120 563979127 /nfs/dbraw/zinc/97/91/27/563979127.db2.gz JRXTVSARCMBZPO-UHFFFAOYSA-N 1 2 341.436 3.577 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107798611 563984171 /nfs/dbraw/zinc/98/41/71/563984171.db2.gz SQSDDYRBICHXBR-YJBOKZPZSA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107798611 563984172 /nfs/dbraw/zinc/98/41/72/563984172.db2.gz SQSDDYRBICHXBR-YJBOKZPZSA-N 1 2 341.842 3.688 40 0 EHABLO COc1cccc(CC[N@@H+]2CCOc3nc4c(C)cccc4cc3C2)c1 ZINC000057718860 564035132 /nfs/dbraw/zinc/03/51/32/564035132.db2.gz MEOLXWLYPKYEJN-UHFFFAOYSA-N 1 2 348.446 3.989 40 0 EHABLO COc1cccc(CC[N@H+]2CCOc3nc4c(C)cccc4cc3C2)c1 ZINC000057718860 564035133 /nfs/dbraw/zinc/03/51/33/564035133.db2.gz MEOLXWLYPKYEJN-UHFFFAOYSA-N 1 2 348.446 3.989 40 0 EHABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1cccs1 ZINC000057730668 564035144 /nfs/dbraw/zinc/03/51/44/564035144.db2.gz WGGVKNGBWMCSSY-QGZVFWFLSA-N 1 2 346.471 3.870 40 0 EHABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1cccs1 ZINC000057730668 564035145 /nfs/dbraw/zinc/03/51/45/564035145.db2.gz WGGVKNGBWMCSSY-QGZVFWFLSA-N 1 2 346.471 3.870 40 0 EHABLO S=C(NCCSCc1ccccc1Cl)Nc1cc[nH+]cc1 ZINC000225297838 564045743 /nfs/dbraw/zinc/04/57/43/564045743.db2.gz XPXIGTXNUZAWHY-UHFFFAOYSA-N 1 2 337.901 3.955 40 0 EHABLO CNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328975906 564071154 /nfs/dbraw/zinc/07/11/54/564071154.db2.gz FLZNZZRVFPWADG-UHFFFAOYSA-N 1 2 342.752 3.655 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000329058411 564071999 /nfs/dbraw/zinc/07/19/99/564071999.db2.gz WCRJYIUJCHOLTF-SNVBAGLBSA-N 1 2 334.826 3.944 40 0 EHABLO CC[C@@H](C)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000244419518 243037697 /nfs/dbraw/zinc/03/76/97/243037697.db2.gz YSTLEVCYSKEQNW-GDBMZVCRSA-N 1 2 326.444 3.945 40 0 EHABLO c1coc(C[N@@H+]2Cc3cccn3[C@@H](CCOCc3cccnc3)C2)c1 ZINC000253588823 244029156 /nfs/dbraw/zinc/02/91/56/244029156.db2.gz UWHLOGDAYGPMKD-IBGZPJMESA-N 1 2 337.423 3.640 40 0 EHABLO c1coc(C[N@H+]2Cc3cccn3[C@@H](CCOCc3cccnc3)C2)c1 ZINC000253588823 244029159 /nfs/dbraw/zinc/02/91/59/244029159.db2.gz UWHLOGDAYGPMKD-IBGZPJMESA-N 1 2 337.423 3.640 40 0 EHABLO C[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020459127 212132802 /nfs/dbraw/zinc/13/28/02/212132802.db2.gz BNFDFLLJOZIWBP-OAHLLOKOSA-N 1 2 337.448 3.669 40 0 EHABLO Cc1ccc(SCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020456713 212132240 /nfs/dbraw/zinc/13/22/40/212132240.db2.gz DXYRPHACIPEQSO-UHFFFAOYSA-N 1 2 337.448 3.589 40 0 EHABLO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020454459 212131924 /nfs/dbraw/zinc/13/19/24/212131924.db2.gz NAJXEWNMLYUFBD-JXMROGBWSA-N 1 2 337.810 3.855 40 0 EHABLO O=C(c1ccc(Cl)cc1)[C@H](n1cc[nH+]c1)N1CCCCCCC1=O ZINC000255188744 244045684 /nfs/dbraw/zinc/04/56/84/244045684.db2.gz LGUGSZPDUMUYKI-GOSISDBHSA-N 1 2 345.830 3.711 40 0 EHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)[nH+]1 ZINC000257237384 244233467 /nfs/dbraw/zinc/23/34/67/244233467.db2.gz HGFWQUFUQUTXDP-MRXNPFEDSA-N 1 2 337.423 3.803 40 0 EHABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)ccc1F ZINC000328984509 257908583 /nfs/dbraw/zinc/90/85/83/257908583.db2.gz HNWNGYXWJBIQIG-KRWDZBQOSA-N 1 2 344.434 3.974 40 0 EHABLO COc1ccccc1C(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000226255147 537000516 /nfs/dbraw/zinc/00/05/16/537000516.db2.gz CYQZCOSHWMARCJ-UHFFFAOYSA-N 1 2 325.412 3.520 40 0 EHABLO Cc1cccc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)oc21 ZINC000041306828 563924526 /nfs/dbraw/zinc/92/45/26/563924526.db2.gz NBGRGKJPJIHFGT-UHFFFAOYSA-N 1 2 334.419 3.699 40 0 EHABLO COc1cccc(-c2nc(CCn3c[nH+]c4cc(C)c(C)cc43)no2)c1 ZINC000076556433 563968078 /nfs/dbraw/zinc/96/80/78/563968078.db2.gz UMZSDSMDSYUWBH-UHFFFAOYSA-N 1 2 348.406 3.954 40 0 EHABLO CC(C)c1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(F)cc1 ZINC000000787275 563998129 /nfs/dbraw/zinc/99/81/29/563998129.db2.gz VTZIJXZJUWFNDJ-OAHLLOKOSA-N 1 2 328.387 3.739 40 0 EHABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000225214825 564045427 /nfs/dbraw/zinc/04/54/27/564045427.db2.gz RVQHROKGJBUWOJ-UHFFFAOYSA-N 1 2 349.887 3.756 40 0 EHABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)C2CCCC2)[nH+]1 ZINC000257282804 564054686 /nfs/dbraw/zinc/05/46/86/564054686.db2.gz OVJNKKSYYYWQIP-SFHVURJKSA-N 1 2 329.488 3.652 40 0 EHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329066644 564072113 /nfs/dbraw/zinc/07/21/13/564072113.db2.gz YDCWDKCCXITFCJ-UHFFFAOYSA-N 1 2 326.419 3.743 40 0 EHABLO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000095534894 564141648 /nfs/dbraw/zinc/14/16/48/564141648.db2.gz OHVLQCUMMZJVQF-AWEZNQCLSA-N 1 2 332.329 3.733 40 0 EHABLO Cc1cccc([C@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)[nH+]1 ZINC000072325827 216152167 /nfs/dbraw/zinc/15/21/67/216152167.db2.gz UJUIHYOODCMGQZ-NRFANRHFSA-N 1 2 344.462 3.733 40 0 EHABLO Cc1nc([C@]2(C)CCC[N@H+](Cc3cscn3)C2)c2sccn12 ZINC000257222309 244189909 /nfs/dbraw/zinc/18/99/09/244189909.db2.gz DSURZPGBYAAIPU-MRXNPFEDSA-N 1 2 332.498 3.714 40 0 EHABLO Cc1nc([C@]2(C)CCC[N@@H+](Cc3cscn3)C2)c2sccn12 ZINC000257222309 244189916 /nfs/dbraw/zinc/18/99/16/244189916.db2.gz DSURZPGBYAAIPU-MRXNPFEDSA-N 1 2 332.498 3.714 40 0 EHABLO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020044797 212096965 /nfs/dbraw/zinc/09/69/65/212096965.db2.gz OYAREDDCJSLCSW-LJQANCHMSA-N 1 2 349.434 3.655 40 0 EHABLO Cc1nc2c(cccc2NC(=O)CCc2[nH]c3cc(C)c(C)cc3[nH+]2)[nH]1 ZINC000012147417 211307876 /nfs/dbraw/zinc/30/78/76/211307876.db2.gz UAFJTEAOLODTID-UHFFFAOYSA-N 1 2 347.422 3.936 40 0 EHABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)ccc1F ZINC000328984510 257908498 /nfs/dbraw/zinc/90/84/98/257908498.db2.gz HNWNGYXWJBIQIG-QGZVFWFLSA-N 1 2 344.434 3.974 40 0 EHABLO COc1ccc([C@H](O)/C(=C/n2cc[nH+]c2)c2ccccc2)cc1OC ZINC000013216154 563692339 /nfs/dbraw/zinc/69/23/39/563692339.db2.gz IKCJARORQJCFIF-NXNYUAIASA-N 1 2 336.391 3.632 40 0 EHABLO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044885019 563927417 /nfs/dbraw/zinc/92/74/17/563927417.db2.gz ZSAYEBGNYSYCKS-INIZCTEOSA-N 1 2 349.434 3.518 40 0 EHABLO Cc1ccc(-n2c(CCc3[nH]c4ccccc4[nH+]3)n[nH]c2=S)cc1 ZINC000006493785 564006434 /nfs/dbraw/zinc/00/64/34/564006434.db2.gz LMKVCAZDDMVDHP-UHFFFAOYSA-N 1 2 335.436 3.900 40 0 EHABLO Cc1ccc(C)c(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225452283 564046920 /nfs/dbraw/zinc/04/69/20/564046920.db2.gz PXPNWOMKIXROOH-UHFFFAOYSA-N 1 2 336.464 3.976 40 0 EHABLO Fc1cc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)ccc1Cl ZINC000257315229 564055287 /nfs/dbraw/zinc/05/52/87/564055287.db2.gz VALFYMUOXWVSBV-INIZCTEOSA-N 1 2 346.833 3.708 40 0 EHABLO CCNc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329042619 564071832 /nfs/dbraw/zinc/07/18/32/564071832.db2.gz SPEUPRVHSWVTIT-UHFFFAOYSA-N 1 2 348.406 3.528 40 0 EHABLO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000095534895 564141653 /nfs/dbraw/zinc/14/16/53/564141653.db2.gz OHVLQCUMMZJVQF-CQSZACIVSA-N 1 2 332.329 3.733 40 0 EHABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000067801028 215215051 /nfs/dbraw/zinc/21/50/51/215215051.db2.gz VHQAQBBLBSPRHM-UHFFFAOYSA-N 1 2 342.842 3.968 40 0 EHABLO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289497 212289065 /nfs/dbraw/zinc/28/90/65/212289065.db2.gz SSZAYSKACUQUDL-ZNMIVQPWSA-N 1 2 333.501 3.894 40 0 EHABLO CCOc1cccc(C(=O)Nc2cc(N)ccc2[NH+](CC)CC)c1 ZINC000226261592 242093013 /nfs/dbraw/zinc/09/30/13/242093013.db2.gz ATNYXDDKMSQTBP-UHFFFAOYSA-N 1 2 327.428 3.766 40 0 EHABLO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020486683 212137762 /nfs/dbraw/zinc/13/77/62/212137762.db2.gz ZQGFQAHMBQFCIY-HXUWFJFHSA-N 1 2 349.434 3.655 40 0 EHABLO Cc1ccc(Cl)cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020459256 212133126 /nfs/dbraw/zinc/13/31/26/212133126.db2.gz COEZOJRACCUXTR-UHFFFAOYSA-N 1 2 344.842 3.733 40 0 EHABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252196 244273249 /nfs/dbraw/zinc/27/32/49/244273249.db2.gz JTWNOURRFCHHKB-SFHVURJKSA-N 1 2 333.439 3.902 40 0 EHABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252196 244273252 /nfs/dbraw/zinc/27/32/52/244273252.db2.gz JTWNOURRFCHHKB-SFHVURJKSA-N 1 2 333.439 3.902 40 0 EHABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252196 244273255 /nfs/dbraw/zinc/27/32/55/244273255.db2.gz JTWNOURRFCHHKB-SFHVURJKSA-N 1 2 333.439 3.902 40 0 EHABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000257252196 244273257 /nfs/dbraw/zinc/27/32/57/244273257.db2.gz JTWNOURRFCHHKB-SFHVURJKSA-N 1 2 333.439 3.902 40 0 EHABLO CCN1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408960616 257885425 /nfs/dbraw/zinc/88/54/25/257885425.db2.gz NGDHUUZCHBMKEN-VBKFSLOCSA-N 1 2 341.436 3.600 40 0 EHABLO Cc1cccc(C(=O)Nc2cccc(Cl)c2N2CC[NH+](C)CC2)c1 ZINC000030827666 563910816 /nfs/dbraw/zinc/91/08/16/563910816.db2.gz ZBHGMDOLANMDTM-UHFFFAOYSA-N 1 2 343.858 3.653 40 0 EHABLO Cc1cc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000076073149 563937088 /nfs/dbraw/zinc/93/70/88/563937088.db2.gz BUTHTEYUQDNBSP-GXTWGEPZSA-N 1 2 332.473 3.738 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080604 563979119 /nfs/dbraw/zinc/97/91/19/563979119.db2.gz JQGPZAGEFNVBAO-CRAIPNDOSA-N 1 2 341.842 3.688 40 0 EHABLO O=C(Nc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080604 563979120 /nfs/dbraw/zinc/97/91/20/563979120.db2.gz JQGPZAGEFNVBAO-CRAIPNDOSA-N 1 2 341.842 3.688 40 0 EHABLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(F)cc1 ZINC000000098724 563996583 /nfs/dbraw/zinc/99/65/83/563996583.db2.gz OJXAPABJWLTEKG-HNNXBMFYSA-N 1 2 328.387 3.568 40 0 EHABLO CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000223798507 564040900 /nfs/dbraw/zinc/04/09/00/564040900.db2.gz BFTQIKYIESFGEP-UHFFFAOYSA-N 1 2 335.407 3.509 40 0 EHABLO C[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)[nH+]1 ZINC000329024823 564071641 /nfs/dbraw/zinc/07/16/41/564071641.db2.gz PCBNFNSCGMATOI-CYBMUJFWSA-N 1 2 340.471 3.610 40 0 EHABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329032862 564071746 /nfs/dbraw/zinc/07/17/46/564071746.db2.gz QQMACJCCUQTSLR-UHFFFAOYSA-N 1 2 330.382 3.574 40 0 EHABLO Cc1sc2c([C@H]3CCCN(C(=O)C4CCC4)C3)[nH+]c(C)n2c1C ZINC000072368169 216175078 /nfs/dbraw/zinc/17/50/78/216175078.db2.gz BWJVYZLXKKCWEM-HNNXBMFYSA-N 1 2 331.485 3.827 40 0 EHABLO Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072384437 216185276 /nfs/dbraw/zinc/18/52/76/216185276.db2.gz NTVLGFNEQMZTMD-SFHVURJKSA-N 1 2 349.438 3.648 40 0 EHABLO O=C1N[C@H](c2ccccc2)[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000073297942 216375379 /nfs/dbraw/zinc/37/53/79/216375379.db2.gz NCBPYFZKSGGZGP-FGZHOGPDSA-N 1 2 342.442 3.929 40 0 EHABLO CC[N@H+](CCCNC(=S)Nc1cccnc1)c1ccc(C)cc1 ZINC000225735231 242010890 /nfs/dbraw/zinc/01/08/90/242010890.db2.gz GXBVQUMPPRIXCE-UHFFFAOYSA-N 1 2 328.485 3.593 40 0 EHABLO CC[N@@H+](CCCNC(=S)Nc1cccnc1)c1ccc(C)cc1 ZINC000225735231 242010893 /nfs/dbraw/zinc/01/08/93/242010893.db2.gz GXBVQUMPPRIXCE-UHFFFAOYSA-N 1 2 328.485 3.593 40 0 EHABLO COc1ccc(C(=O)Nc2cc([NH+]3CCCCC3)c(C)cc2N)cc1 ZINC000226331280 536775683 /nfs/dbraw/zinc/77/56/83/536775683.db2.gz LKUFNDGZZVNKPZ-UHFFFAOYSA-N 1 2 339.439 3.828 40 0 EHABLO CN(C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212592 563984439 /nfs/dbraw/zinc/98/44/39/563984439.db2.gz JHDHJDWKOALAIA-QGZVFWFLSA-N 1 2 325.412 3.621 40 0 EHABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc(OC2CCCC2)cc1 ZINC000225521999 564047509 /nfs/dbraw/zinc/04/75/09/564047509.db2.gz YTDUGLVIFBQAEO-UHFFFAOYSA-N 1 2 344.484 3.581 40 0 EHABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH+]1 ZINC000257310317 564055268 /nfs/dbraw/zinc/05/52/68/564055268.db2.gz UEPWKKYHLMQMAJ-MRXNPFEDSA-N 1 2 336.439 3.836 40 0 EHABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000328990366 564071292 /nfs/dbraw/zinc/07/12/92/564071292.db2.gz IOITYBDHIXZQSX-GOSISDBHSA-N 1 2 340.471 3.565 40 0 EHABLO CC(C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc[nH+]1 ZINC000329006797 564071479 /nfs/dbraw/zinc/07/14/79/564071479.db2.gz LFOIYAKUJOMMQB-UHFFFAOYSA-N 1 2 347.260 3.622 40 0 EHABLO CC(C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1 ZINC000329006797 564071480 /nfs/dbraw/zinc/07/14/80/564071480.db2.gz LFOIYAKUJOMMQB-UHFFFAOYSA-N 1 2 347.260 3.622 40 0 EHABLO CC[C@@H](C)Nc1nc(Nc2ccccc2SC)cc(C2CC2)[nH+]1 ZINC000329065344 564072064 /nfs/dbraw/zinc/07/20/64/564072064.db2.gz XQKYPFOYYAAGTD-GFCCVEGCSA-N 1 2 328.485 3.874 40 0 EHABLO CC(C)Oc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020485982 212137558 /nfs/dbraw/zinc/13/75/58/212137558.db2.gz PWVBFLITFFIKRQ-UHFFFAOYSA-N 1 2 335.407 3.590 40 0 EHABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)[nH+]1 ZINC000257268705 244368972 /nfs/dbraw/zinc/36/89/72/244368972.db2.gz MMVOMGVBGVHTDO-MRXNPFEDSA-N 1 2 342.443 3.742 40 0 EHABLO Cc1sc2c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)[nH+]c(C)n2c1C ZINC000019561774 212042221 /nfs/dbraw/zinc/04/22/21/212042221.db2.gz QNQTYJPXKRIWIC-MEBBXXQBSA-N 1 2 331.485 3.683 40 0 EHABLO C[C@H]1[C@H](N2CNC(Nc3nc4ccccc4s3)=[NH+]C2)CCC[C@@H]1C ZINC000009015950 211031872 /nfs/dbraw/zinc/03/18/72/211031872.db2.gz DKVCDNJJRMBTJV-GZBFAFLISA-N 1 2 343.500 3.709 40 0 EHABLO Nc1ccc([NH+]2CCC(Cc3ccccc3)CC2)c(C(=O)NC2CC2)c1 ZINC000037666891 132396132 /nfs/dbraw/zinc/39/61/32/132396132.db2.gz VRLMDQKSVZULKR-UHFFFAOYSA-N 1 2 349.478 3.620 40 0 EHABLO COc1ccc(-c2nc(N3CCC[C@H](C)C3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761970 536523277 /nfs/dbraw/zinc/52/32/77/536523277.db2.gz LQEKTDYKFIIUDT-AWEZNQCLSA-N 1 2 349.438 3.779 40 0 EHABLO O=C1CC[NH2+][C@@H](c2c(OCc3ccccc3)ccc3ccccc32)N1 ZINC000408738818 563635665 /nfs/dbraw/zinc/63/56/65/563635665.db2.gz VVTRZADFHNUWRW-OAQYLSRUSA-N 1 2 332.403 3.527 40 0 EHABLO CCc1ncc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)cn1 ZINC000013569174 563702256 /nfs/dbraw/zinc/70/22/56/563702256.db2.gz DIJSLABGISSQBH-UHFFFAOYSA-N 1 2 336.414 3.776 40 0 EHABLO CCc1ncc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)cn1 ZINC000013569174 563702260 /nfs/dbraw/zinc/70/22/60/563702260.db2.gz DIJSLABGISSQBH-UHFFFAOYSA-N 1 2 336.414 3.776 40 0 EHABLO Cc1cc(C)cc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225452332 564046916 /nfs/dbraw/zinc/04/69/16/564046916.db2.gz BDFNTZYCOHSJQH-UHFFFAOYSA-N 1 2 336.464 3.976 40 0 EHABLO c1cc2n(c1)[C@@H](CCOCc1ccncc1)C[N@H+](Cc1ccoc1)C2 ZINC000247958942 564052853 /nfs/dbraw/zinc/05/28/53/564052853.db2.gz NPXHRVCPWFRZKN-FQEVSTJZSA-N 1 2 337.423 3.640 40 0 EHABLO c1cc2n(c1)[C@@H](CCOCc1ccncc1)C[N@@H+](Cc1ccoc1)C2 ZINC000247958942 564052854 /nfs/dbraw/zinc/05/28/54/564052854.db2.gz NPXHRVCPWFRZKN-FQEVSTJZSA-N 1 2 337.423 3.640 40 0 EHABLO CNc1cc([C@@H]2CCCN2C(=O)c2c(C)onc2C(C)C)cc[nH+]1 ZINC000257293229 564054929 /nfs/dbraw/zinc/05/49/29/564054929.db2.gz QOPZYTHTOAEADL-AWEZNQCLSA-N 1 2 328.416 3.520 40 0 EHABLO Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)s1 ZINC000257301843 564055081 /nfs/dbraw/zinc/05/50/81/564055081.db2.gz SAFBYWLQHODEPW-HNNXBMFYSA-N 1 2 329.469 3.537 40 0 EHABLO CNc1cc([C@@H]2CCCN(C(=O)c3cccc4ncccc43)C2)cc[nH+]1 ZINC000257304636 564055116 /nfs/dbraw/zinc/05/51/16/564055116.db2.gz SMLYSUMAINOQMR-MRXNPFEDSA-N 1 2 346.434 3.691 40 0 EHABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c1C ZINC000328997257 564071404 /nfs/dbraw/zinc/07/14/04/564071404.db2.gz JNFXWDDAHFLHOF-GOSISDBHSA-N 1 2 340.471 3.565 40 0 EHABLO