smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)cccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159827809 206265258 /nfs/dbraw/zinc/26/52/58/206265258.db2.gz UJNLPUSQMRMNDS-ZDUSSCGKSA-N 1 2 330.819 3.444 20 70 EGIDLO Cc1nc(C[N@@H+]2CCCC[C@@H]2C(N)=O)oc1-c1ccc(Cl)cc1 ZINC000160538299 206304012 /nfs/dbraw/zinc/30/40/12/206304012.db2.gz DQTBTFSXRVQOLZ-CQSZACIVSA-N 1 2 333.819 3.143 20 70 EGIDLO Cc1nc(C[N@H+]2CCCC[C@@H]2C(N)=O)oc1-c1ccc(Cl)cc1 ZINC000160538299 206304017 /nfs/dbraw/zinc/30/40/17/206304017.db2.gz DQTBTFSXRVQOLZ-CQSZACIVSA-N 1 2 333.819 3.143 20 70 EGIDLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](CC)Cc2ccccn2)cc1 ZINC000161046588 206325422 /nfs/dbraw/zinc/32/54/22/206325422.db2.gz UTEPMVBEYKNPLH-HNNXBMFYSA-N 1 2 327.428 3.329 20 70 EGIDLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](CC)Cc2ccccn2)cc1 ZINC000161046588 206325427 /nfs/dbraw/zinc/32/54/27/206325427.db2.gz UTEPMVBEYKNPLH-HNNXBMFYSA-N 1 2 327.428 3.329 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCSCC3)cc2)CC1 ZINC000161177903 206333574 /nfs/dbraw/zinc/33/35/74/206333574.db2.gz KQEYQASFSPNRCS-UHFFFAOYSA-N 1 2 333.501 3.099 20 70 EGIDLO O=C(c1cccc(F)n1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000161314676 206340688 /nfs/dbraw/zinc/34/06/88/206340688.db2.gz IMIKARHZSDPJBG-UHFFFAOYSA-N 1 2 347.821 3.222 20 70 EGIDLO O=C(c1cccc(F)n1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000161314676 206340692 /nfs/dbraw/zinc/34/06/92/206340692.db2.gz IMIKARHZSDPJBG-UHFFFAOYSA-N 1 2 347.821 3.222 20 70 EGIDLO CC[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000161356884 206342875 /nfs/dbraw/zinc/34/28/75/206342875.db2.gz FQYTTYYAGJUVKH-DLBZAZTESA-N 1 2 327.403 3.109 20 70 EGIDLO CC1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c21 ZINC000161007154 275840883 /nfs/dbraw/zinc/84/08/83/275840883.db2.gz NUWMQSJGVDROPP-LBPRGKRZSA-N 1 2 329.831 3.423 20 70 EGIDLO Cn1c(COc2ccc(Cl)cc2)nnc1SCCn1cc[nH+]c1 ZINC000159574364 307875904 /nfs/dbraw/zinc/87/59/04/307875904.db2.gz STOKCUWQYJMPJR-UHFFFAOYSA-N 1 2 349.847 3.036 20 70 EGIDLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000160051053 307884213 /nfs/dbraw/zinc/88/42/13/307884213.db2.gz GSXSNIPVKLNDRC-ZDUSSCGKSA-N 1 2 342.892 3.041 20 70 EGIDLO CC(C)c1nc(N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc[nH+]1 ZINC000161319208 307901636 /nfs/dbraw/zinc/90/16/36/307901636.db2.gz RPIQEHXAYKDJMN-QGZVFWFLSA-N 1 2 338.455 3.246 20 70 EGIDLO Cn1cnc2cc(C(=O)Nc3cccc(Oc4cc[nH+]cc4)c3)cnc21 ZINC000159834454 455407898 /nfs/dbraw/zinc/40/78/98/455407898.db2.gz QSDLBJKOFXIUIF-UHFFFAOYSA-N 1 2 345.362 3.408 20 70 EGIDLO CCOCCC[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000159951291 455418632 /nfs/dbraw/zinc/41/86/32/455418632.db2.gz MYBXGQDEDUJOKW-HNNXBMFYSA-N 1 2 328.250 3.249 20 70 EGIDLO CCOCCC[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000159951291 455418634 /nfs/dbraw/zinc/41/86/34/455418634.db2.gz MYBXGQDEDUJOKW-HNNXBMFYSA-N 1 2 328.250 3.249 20 70 EGIDLO Cc1cccn2cc(CSc3nnc(-c4ccccn4)n3C)[nH+]c12 ZINC000159582110 455386961 /nfs/dbraw/zinc/38/69/61/455386961.db2.gz BAMNJSLQDBKSSH-UHFFFAOYSA-N 1 2 336.424 3.126 20 70 EGIDLO CC[C@@H](OC1CCCCC1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000159632140 455391893 /nfs/dbraw/zinc/39/18/93/455391893.db2.gz ZYJSOXLQEWTCPY-CQSZACIVSA-N 1 2 337.489 3.197 20 70 EGIDLO CC[C@@H](OC1CCCCC1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000159632140 455391897 /nfs/dbraw/zinc/39/18/97/455391897.db2.gz ZYJSOXLQEWTCPY-CQSZACIVSA-N 1 2 337.489 3.197 20 70 EGIDLO CCOC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233760 455441071 /nfs/dbraw/zinc/44/10/71/455441071.db2.gz JJJLUPOYXOXTQZ-ZDUSSCGKSA-N 1 2 349.818 3.133 20 70 EGIDLO CCOC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233760 455441074 /nfs/dbraw/zinc/44/10/74/455441074.db2.gz JJJLUPOYXOXTQZ-ZDUSSCGKSA-N 1 2 349.818 3.133 20 70 EGIDLO CCCC[C@@H](CCC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160587458 455477714 /nfs/dbraw/zinc/47/77/14/455477714.db2.gz BSQKQXYPMIQBJB-QGZVFWFLSA-N 1 2 332.492 3.268 20 70 EGIDLO Cc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)c(Br)c1 ZINC000161112193 455535009 /nfs/dbraw/zinc/53/50/09/455535009.db2.gz PLPMUTHWNKDZGJ-UHFFFAOYSA-N 1 2 334.217 3.471 20 70 EGIDLO O=C(/C=C/c1ccc2ccccc2n1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161405915 455566596 /nfs/dbraw/zinc/56/65/96/455566596.db2.gz WMRLHJBTFKMLIN-DOJUMQAQSA-N 1 2 344.418 3.038 20 70 EGIDLO COC(=O)C1([NH2+]Cc2ccc(Br)cc2)CCCCC1 ZINC000217096966 456031615 /nfs/dbraw/zinc/03/16/15/456031615.db2.gz CDWYUCDNCCWPGI-UHFFFAOYSA-N 1 2 326.234 3.415 20 70 EGIDLO FC(F)(F)c1ccc2oc(CSCC[NH+]3CCOCC3)nc2c1 ZINC000159882532 206269224 /nfs/dbraw/zinc/26/92/24/206269224.db2.gz KDXIUYUVKXAIKU-UHFFFAOYSA-N 1 2 346.374 3.412 20 70 EGIDLO O=C([C@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160265521 206288548 /nfs/dbraw/zinc/28/85/48/206288548.db2.gz FAXWUVFKXQQTOH-AQNXPRMDSA-N 1 2 341.499 3.332 20 70 EGIDLO CC(C)n1nccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160832857 206315736 /nfs/dbraw/zinc/31/57/36/206315736.db2.gz HHIQAYVOFMZMGG-UHFFFAOYSA-N 1 2 333.461 3.159 20 70 EGIDLO CC(C)[C@@H]([NH2+]Cc1nnsc1Cl)c1ccc2c(c1)OCCO2 ZINC000161483116 307903300 /nfs/dbraw/zinc/90/33/00/307903300.db2.gz BFRVGZOFAVJJQV-CQSZACIVSA-N 1 2 339.848 3.450 20 70 EGIDLO c1c(CCNc2ccnc(Cc3ccccc3)n2)[nH+]c2ccccn12 ZINC000159513254 455382356 /nfs/dbraw/zinc/38/23/56/455382356.db2.gz ONCAWJJDLXTPFM-UHFFFAOYSA-N 1 2 329.407 3.370 20 70 EGIDLO CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000160734621 455493108 /nfs/dbraw/zinc/49/31/08/455493108.db2.gz GCYKGSPSMDAGTP-CQSZACIVSA-N 1 2 342.395 3.254 20 70 EGIDLO FC(F)Oc1ccc(-c2nnc(SCCn3cc[nH+]c3)o2)cc1 ZINC000159698396 455396305 /nfs/dbraw/zinc/39/63/05/455396305.db2.gz PNXPXFBODDWDFE-UHFFFAOYSA-N 1 2 338.339 3.327 20 70 EGIDLO COCCOc1cccc(CC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000160625220 455481416 /nfs/dbraw/zinc/48/14/16/455481416.db2.gz MSQUVRVUFKCUBB-UHFFFAOYSA-N 1 2 328.412 3.213 20 70 EGIDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000160937876 455515821 /nfs/dbraw/zinc/51/58/21/455515821.db2.gz PMFXJTGSYLGGNE-UHFFFAOYSA-N 1 2 344.503 3.125 20 70 EGIDLO CN(CCc1cccc2ccccc21)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161112231 455534810 /nfs/dbraw/zinc/53/48/10/455534810.db2.gz NXMKFYHNJQUPRE-GOSISDBHSA-N 1 2 333.435 3.300 20 70 EGIDLO c1csc(-c2cc(CN3CC[NH+](Cc4ccncc4)CC3)no2)c1 ZINC000161203058 455547475 /nfs/dbraw/zinc/54/74/75/455547475.db2.gz AORHOAHEMURQKX-UHFFFAOYSA-N 1 2 340.452 3.116 20 70 EGIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C ZINC000161250924 455552511 /nfs/dbraw/zinc/55/25/11/455552511.db2.gz RZWVTLQUOYJEKT-GOSISDBHSA-N 1 2 327.428 3.098 20 70 EGIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1C ZINC000161250924 455552512 /nfs/dbraw/zinc/55/25/12/455552512.db2.gz RZWVTLQUOYJEKT-GOSISDBHSA-N 1 2 327.428 3.098 20 70 EGIDLO O=C(Nc1ccc(N2CCCC2)c(Cl)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161490116 455574411 /nfs/dbraw/zinc/57/44/11/455574411.db2.gz NVHPKGAFJXJEDG-ZDUSSCGKSA-N 1 2 344.846 3.338 20 70 EGIDLO C[C@H](CC(=O)NCCNc1ccc2ccccc2[nH+]1)c1ccncc1 ZINC000160881102 546950642 /nfs/dbraw/zinc/95/06/42/546950642.db2.gz OTEMEKYJLJEGFI-OAHLLOKOSA-N 1 2 334.423 3.352 20 70 EGIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C[C@H]2CSCCS2)c1 ZINC000159386855 206242633 /nfs/dbraw/zinc/24/26/33/206242633.db2.gz QGLYRCZLXWYWRY-AWEZNQCLSA-N 1 2 333.482 3.264 20 70 EGIDLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(F)n3)n2)CC1 ZINC000159496544 206248332 /nfs/dbraw/zinc/24/83/32/206248332.db2.gz WMKWVDPFNVVPTN-UHFFFAOYSA-N 1 2 334.420 3.161 20 70 EGIDLO CS[C@H](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000160821246 206315425 /nfs/dbraw/zinc/31/54/25/206315425.db2.gz JXYRVFRIDYOANK-GFCCVEGCSA-N 1 2 327.519 3.455 20 70 EGIDLO C[C@H](Cc1ccc(Cl)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000159493004 307874670 /nfs/dbraw/zinc/87/46/70/307874670.db2.gz FMZKABIZXYQOJF-CYBMUJFWSA-N 1 2 327.815 3.483 20 70 EGIDLO Cc1cccc([C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000159997428 307883383 /nfs/dbraw/zinc/88/33/83/307883383.db2.gz ZKRMCZCBYVEZCB-YLJYHZDGSA-N 1 2 346.434 3.055 20 70 EGIDLO C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160692078 307893549 /nfs/dbraw/zinc/89/35/49/307893549.db2.gz YZROLAYRMUWQMD-CYBMUJFWSA-N 1 2 339.420 3.325 20 70 EGIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCCc3sccc32)C1 ZINC000159375675 455372587 /nfs/dbraw/zinc/37/25/87/455372587.db2.gz JEDYLKWGSPJFBH-HOCLYGCPSA-N 1 2 343.496 3.383 20 70 EGIDLO CCc1cc(N(CCC(=O)OC)CC(C)C)nc(-c2ccncc2)[nH+]1 ZINC000159580176 455387347 /nfs/dbraw/zinc/38/73/47/455387347.db2.gz QGPZBGXLLKCIPI-UHFFFAOYSA-N 1 2 342.443 3.127 20 70 EGIDLO O=C(Nc1ccccc1OC(F)F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160039392 455424505 /nfs/dbraw/zinc/42/45/05/455424505.db2.gz OMMKUMMIEIEMPO-LBPRGKRZSA-N 1 2 348.353 3.083 20 70 EGIDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccsc1 ZINC000160690300 455487576 /nfs/dbraw/zinc/48/75/76/455487576.db2.gz XRGJPKORSAMXMS-GJZGRUSLSA-N 1 2 329.469 3.152 20 70 EGIDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159498436 455380137 /nfs/dbraw/zinc/38/01/37/455380137.db2.gz BVDOUOBHNOUSKE-CYBMUJFWSA-N 1 2 331.489 3.114 20 70 EGIDLO CCc1nn(C)c(Cl)c1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000161106074 455534036 /nfs/dbraw/zinc/53/40/36/455534036.db2.gz LAMAOWRUWGBNPP-UHFFFAOYSA-N 1 2 343.818 3.289 20 70 EGIDLO Cc1nc(Cl)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161153440 455541244 /nfs/dbraw/zinc/54/12/44/455541244.db2.gz SFFOBSCYIZAHEM-UHFFFAOYSA-N 1 2 344.777 3.298 20 70 EGIDLO Cc1cccn2cc(CNC(=O)[C@H](C)Cc3ccccc3F)[nH+]c12 ZINC000159474123 206248536 /nfs/dbraw/zinc/24/85/36/206248536.db2.gz CMNBBPQZPAASOC-CQSZACIVSA-N 1 2 325.387 3.277 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000161165166 206333358 /nfs/dbraw/zinc/33/33/58/206333358.db2.gz QBGPYBDOBLBPSD-AWEZNQCLSA-N 1 2 325.412 3.133 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000161165166 206333361 /nfs/dbraw/zinc/33/33/61/206333361.db2.gz QBGPYBDOBLBPSD-AWEZNQCLSA-N 1 2 325.412 3.133 20 70 EGIDLO Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1O ZINC000216987581 266194245 /nfs/dbraw/zinc/19/42/45/266194245.db2.gz HKICCXNVPXNUHH-UHFFFAOYSA-N 1 2 339.439 3.406 20 70 EGIDLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000159493176 307874728 /nfs/dbraw/zinc/87/47/28/307874728.db2.gz CWLCYVMLYANXTJ-ZDUSSCGKSA-N 1 2 327.815 3.483 20 70 EGIDLO CN(Cc1[nH+]ccn1C)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000160148567 307885729 /nfs/dbraw/zinc/88/57/29/307885729.db2.gz KCNVIEHPTZCWAQ-UHFFFAOYSA-N 1 2 340.814 3.408 20 70 EGIDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000160050920 455424257 /nfs/dbraw/zinc/42/42/57/455424257.db2.gz GSXSNIPVKLNDRC-CYBMUJFWSA-N 1 2 342.892 3.041 20 70 EGIDLO Cc1[nH+]c(-c2ccncc2)nc(NCCCC(=O)OC(C)C)c1C ZINC000160256031 455442913 /nfs/dbraw/zinc/44/29/13/455442913.db2.gz LNHHTOURTZSYJN-UHFFFAOYSA-N 1 2 328.416 3.299 20 70 EGIDLO CC[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000161088162 455531831 /nfs/dbraw/zinc/53/18/31/455531831.db2.gz MFFXSKNKMYKNRN-MSOLQXFVSA-N 1 2 328.387 3.394 20 70 EGIDLO Cc1c(C)c(C)c(CNC(=O)NCCCn2cc[nH+]c2)c(C)c1C ZINC000161136838 455538234 /nfs/dbraw/zinc/53/82/34/455538234.db2.gz RBGCECORVHPHLV-UHFFFAOYSA-N 1 2 328.460 3.315 20 70 EGIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC(F)F)c1 ZINC000161262034 455553771 /nfs/dbraw/zinc/55/37/71/455553771.db2.gz MYWSQSNRAKBBPF-CYBMUJFWSA-N 1 2 343.370 3.214 20 70 EGIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC(F)F)c1 ZINC000161262034 455553775 /nfs/dbraw/zinc/55/37/75/455553775.db2.gz MYWSQSNRAKBBPF-CYBMUJFWSA-N 1 2 343.370 3.214 20 70 EGIDLO C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000161295442 455556565 /nfs/dbraw/zinc/55/65/65/455556565.db2.gz YKFVJDVMXHISBN-HNNXBMFYSA-N 1 2 342.414 3.035 20 70 EGIDLO C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000161295442 455556567 /nfs/dbraw/zinc/55/65/67/455556567.db2.gz YKFVJDVMXHISBN-HNNXBMFYSA-N 1 2 342.414 3.035 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000160112340 529107683 /nfs/dbraw/zinc/10/76/83/529107683.db2.gz GGKSELYAQOKTLB-RHSMWYFYSA-N 1 2 344.463 3.303 20 70 EGIDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(F)cc4cccnc43)sc2C1 ZINC000161500422 283176315 /nfs/dbraw/zinc/17/63/15/283176315.db2.gz LQSSCVLLCHLFCJ-UHFFFAOYSA-N 1 2 342.399 3.071 20 70 EGIDLO C[N@H+]1CCc2nc(NC(=O)c3cc(F)cc4cccnc43)sc2C1 ZINC000161500422 283176316 /nfs/dbraw/zinc/17/63/16/283176316.db2.gz LQSSCVLLCHLFCJ-UHFFFAOYSA-N 1 2 342.399 3.071 20 70 EGIDLO CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000160159633 206281861 /nfs/dbraw/zinc/28/18/61/206281861.db2.gz LOVPWXTYLFHEIM-QZTJIDSGSA-N 1 2 345.531 3.056 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000161121756 206329503 /nfs/dbraw/zinc/32/95/03/206329503.db2.gz KKPYBHNVDLRQSE-ZGIUJUBFSA-N 1 2 346.471 3.228 20 70 EGIDLO O=c1onc(-c2cccc(Oc3ccccc3)c2)n1CCn1cc[nH+]c1 ZINC000160139139 307885431 /nfs/dbraw/zinc/88/54/31/307885431.db2.gz OLQBEBVECVOFJO-UHFFFAOYSA-N 1 2 348.362 3.192 20 70 EGIDLO CC[C@@H](C)c1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)on1 ZINC000159623163 455390388 /nfs/dbraw/zinc/39/03/88/455390388.db2.gz FNPHFOSKZHMTFV-SNVBAGLBSA-N 1 2 332.791 3.419 20 70 EGIDLO Cc1ccc(Br)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160092822 455428715 /nfs/dbraw/zinc/42/87/15/455428715.db2.gz HNOXRTATQRAYPV-NSHDSACASA-N 1 2 334.217 3.155 20 70 EGIDLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160041957 455424124 /nfs/dbraw/zinc/42/41/24/455424124.db2.gz QNNCRHZZWUJDRT-MRXNPFEDSA-N 1 2 329.469 3.213 20 70 EGIDLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160041957 455424129 /nfs/dbraw/zinc/42/41/29/455424129.db2.gz QNNCRHZZWUJDRT-MRXNPFEDSA-N 1 2 329.469 3.213 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccccc2)n1 ZINC000159722043 455398256 /nfs/dbraw/zinc/39/82/56/455398256.db2.gz KMWHPYCJXHKMBC-GOSISDBHSA-N 1 2 330.453 3.001 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccccc2)n1 ZINC000159722043 455398260 /nfs/dbraw/zinc/39/82/60/455398260.db2.gz KMWHPYCJXHKMBC-GOSISDBHSA-N 1 2 330.453 3.001 20 70 EGIDLO Cc1cccc([C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000159997708 455421025 /nfs/dbraw/zinc/42/10/25/455421025.db2.gz ZKRMCZCBYVEZCB-FXAWDEMLSA-N 1 2 346.434 3.055 20 70 EGIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160691947 455489281 /nfs/dbraw/zinc/48/92/81/455489281.db2.gz YZROLAYRMUWQMD-ZDUSSCGKSA-N 1 2 339.420 3.325 20 70 EGIDLO O=C(Nc1ccc(N2CCCC2)c(Cl)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161489984 455574522 /nfs/dbraw/zinc/57/45/22/455574522.db2.gz NVHPKGAFJXJEDG-CYBMUJFWSA-N 1 2 344.846 3.338 20 70 EGIDLO O=C1[C@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000217213561 456031762 /nfs/dbraw/zinc/03/17/62/456031762.db2.gz DDWQNNNPHRKXLC-WOJBJXKFSA-N 1 2 336.435 3.256 20 70 EGIDLO O=C1[C@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000217213561 456031768 /nfs/dbraw/zinc/03/17/68/456031768.db2.gz DDWQNNNPHRKXLC-WOJBJXKFSA-N 1 2 336.435 3.256 20 70 EGIDLO O=C(CCc1ccc(Cl)c(F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218091213 456034761 /nfs/dbraw/zinc/03/47/61/456034761.db2.gz QPAUJXNOLRGSLL-AWEZNQCLSA-N 1 2 347.821 3.202 20 70 EGIDLO Fc1cc([C@@H]2CN(CCn3cc[nH+]c3)CCO2)c(Cl)cc1Cl ZINC000159813040 206264850 /nfs/dbraw/zinc/26/48/50/206264850.db2.gz XDIVVXGPJULCON-HNNXBMFYSA-N 1 2 344.217 3.403 20 70 EGIDLO Cc1ccc(Cl)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160030155 206276931 /nfs/dbraw/zinc/27/69/31/206276931.db2.gz FSDVZVTXOWKWHG-CQSZACIVSA-N 1 2 330.819 3.444 20 70 EGIDLO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000160159755 206282017 /nfs/dbraw/zinc/28/20/17/206282017.db2.gz LOVPWXTYLFHEIM-ROUUACIJSA-N 1 2 345.531 3.056 20 70 EGIDLO CO[C@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000160441399 206297538 /nfs/dbraw/zinc/29/75/38/206297538.db2.gz BYEKHHOJKCFGMN-DOMZBBRYSA-N 1 2 335.835 3.486 20 70 EGIDLO CO[C@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000160441399 206297542 /nfs/dbraw/zinc/29/75/42/206297542.db2.gz BYEKHHOJKCFGMN-DOMZBBRYSA-N 1 2 335.835 3.486 20 70 EGIDLO O[C@H]1CCCC[C@@H]1Oc1ccc([NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161122365 206329041 /nfs/dbraw/zinc/32/90/41/206329041.db2.gz SJNXFUXFRIFFPB-OALUTQOASA-N 1 2 347.455 3.467 20 70 EGIDLO CCCC1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000159861094 307881065 /nfs/dbraw/zinc/88/10/65/307881065.db2.gz XJPHXPZXUJJRHF-UHFFFAOYSA-N 1 2 330.476 3.451 20 70 EGIDLO C[C@@H]1CC(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H](C)O1 ZINC000160558380 307891502 /nfs/dbraw/zinc/89/15/02/307891502.db2.gz ZIGKLFKNXDSZAD-CHWSQXEVSA-N 1 2 328.416 3.165 20 70 EGIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 ZINC000159375429 455372484 /nfs/dbraw/zinc/37/24/84/455372484.db2.gz JEDYLKWGSPJFBH-GOEBONIOSA-N 1 2 343.496 3.383 20 70 EGIDLO CCCC[N@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160789494 455498952 /nfs/dbraw/zinc/49/89/52/455498952.db2.gz KOVQKQJCRFLPOA-CQSZACIVSA-N 1 2 342.530 3.200 20 70 EGIDLO CCCC[N@@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160789494 455498958 /nfs/dbraw/zinc/49/89/58/455498958.db2.gz KOVQKQJCRFLPOA-CQSZACIVSA-N 1 2 342.530 3.200 20 70 EGIDLO CN(C)C(=O)COc1ccccc1C[N@H+](C)Cc1ccccc1Cl ZINC000160820478 455502604 /nfs/dbraw/zinc/50/26/04/455502604.db2.gz PNWKYVQWDORICA-UHFFFAOYSA-N 1 2 346.858 3.439 20 70 EGIDLO CN(C)C(=O)COc1ccccc1C[N@@H+](C)Cc1ccccc1Cl ZINC000160820478 455502610 /nfs/dbraw/zinc/50/26/10/455502610.db2.gz PNWKYVQWDORICA-UHFFFAOYSA-N 1 2 346.858 3.439 20 70 EGIDLO CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159553445 455385144 /nfs/dbraw/zinc/38/51/44/455385144.db2.gz UOKBKJBAXLBWNG-LJQANCHMSA-N 1 2 339.483 3.393 20 70 EGIDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160109891 455429463 /nfs/dbraw/zinc/42/94/63/455429463.db2.gz GONDHRTVWRGGDF-LBPRGKRZSA-N 1 2 338.238 3.411 20 70 EGIDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160902559 455512233 /nfs/dbraw/zinc/51/22/33/455512233.db2.gz GGYKFHYBFBZPBV-MRXNPFEDSA-N 1 2 340.427 3.269 20 70 EGIDLO O=C(Nc1ccc(Oc2ccccc2)cn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161388242 455566041 /nfs/dbraw/zinc/56/60/41/455566041.db2.gz NWXGKLGYXQBATM-CQSZACIVSA-N 1 2 334.379 3.272 20 70 EGIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cncc(-c2ccccc2)c1 ZINC000161404589 455566544 /nfs/dbraw/zinc/56/65/44/455566544.db2.gz FNDANZWJAGYTKI-LJQANCHMSA-N 1 2 344.418 3.152 20 70 EGIDLO O=C(CCc1ccc(Cl)c(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218091282 456034453 /nfs/dbraw/zinc/03/44/53/456034453.db2.gz QPAUJXNOLRGSLL-CQSZACIVSA-N 1 2 347.821 3.202 20 70 EGIDLO CC(C)C[C@H](C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000159519232 206250334 /nfs/dbraw/zinc/25/03/34/206250334.db2.gz VKNSBHMFDMFZSV-INIZCTEOSA-N 1 2 328.460 3.360 20 70 EGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3ccsc3)no2)c1 ZINC000159878803 206267928 /nfs/dbraw/zinc/26/79/28/206267928.db2.gz YLIHVCXMRVCGRN-UHFFFAOYSA-N 1 2 328.441 3.496 20 70 EGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3ccsc3)no2)c1 ZINC000159878803 206267935 /nfs/dbraw/zinc/26/79/35/206267935.db2.gz YLIHVCXMRVCGRN-UHFFFAOYSA-N 1 2 328.441 3.496 20 70 EGIDLO Cc1ccc(O)c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000216988658 266195100 /nfs/dbraw/zinc/19/51/00/266195100.db2.gz QRCMQDFDIWPUHJ-UHFFFAOYSA-N 1 2 339.439 3.406 20 70 EGIDLO O=C(NC1(c2ccc(Cl)cc2)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161045955 295594158 /nfs/dbraw/zinc/59/41/58/295594158.db2.gz YWEKWMWREWQGDA-ZDUSSCGKSA-N 1 2 329.831 3.295 20 70 EGIDLO O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160368952 455452183 /nfs/dbraw/zinc/45/21/83/455452183.db2.gz IIZUKAQDFMVYKD-LLVKDONJSA-N 1 2 338.238 3.111 20 70 EGIDLO CCCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160775964 455497095 /nfs/dbraw/zinc/49/70/95/455497095.db2.gz DWPVCFSUHZITKU-SQWLQELKSA-N 1 2 325.474 3.192 20 70 EGIDLO CCCC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160775964 455497100 /nfs/dbraw/zinc/49/71/00/455497100.db2.gz DWPVCFSUHZITKU-SQWLQELKSA-N 1 2 325.474 3.192 20 70 EGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000159401430 455374477 /nfs/dbraw/zinc/37/44/77/455374477.db2.gz DYLWZMVWWPSBBA-AWEZNQCLSA-N 1 2 329.831 3.290 20 70 EGIDLO CCc1nnc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000159406908 455375286 /nfs/dbraw/zinc/37/52/86/455375286.db2.gz NZKQDYWYZJNHCH-VIFPVBQESA-N 1 2 345.394 3.222 20 70 EGIDLO CCc1nnc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000159406908 455375291 /nfs/dbraw/zinc/37/52/91/455375291.db2.gz NZKQDYWYZJNHCH-VIFPVBQESA-N 1 2 345.394 3.222 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccccc2)n1 ZINC000159721914 455398801 /nfs/dbraw/zinc/39/88/01/455398801.db2.gz KMWHPYCJXHKMBC-SFHVURJKSA-N 1 2 330.453 3.001 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccccc2)n1 ZINC000159721914 455398805 /nfs/dbraw/zinc/39/88/05/455398805.db2.gz KMWHPYCJXHKMBC-SFHVURJKSA-N 1 2 330.453 3.001 20 70 EGIDLO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000161074876 455530060 /nfs/dbraw/zinc/53/00/60/455530060.db2.gz TXIGPTCVGVBHNO-CHWSQXEVSA-N 1 2 344.484 3.446 20 70 EGIDLO CC(C)CCn1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000161199264 455548031 /nfs/dbraw/zinc/54/80/31/455548031.db2.gz HRFCJTWVNSNHLF-CVEARBPZSA-N 1 2 344.463 3.241 20 70 EGIDLO CC(C)[C@@H](C(=O)Nc1cccc(F)c1F)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161422839 455568507 /nfs/dbraw/zinc/56/85/07/455568507.db2.gz UZUAGIIFGXTBCQ-MKBNYLNASA-N 1 2 326.387 3.037 20 70 EGIDLO CCOC(=O)C[C@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000160734733 535732125 /nfs/dbraw/zinc/73/21/25/535732125.db2.gz GCYKGSPSMDAGTP-AWEZNQCLSA-N 1 2 342.395 3.254 20 70 EGIDLO O=C(NCCc1cc2ccccc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159677210 546940223 /nfs/dbraw/zinc/94/02/23/546940223.db2.gz AKXYOODJFUVJMU-UHFFFAOYSA-N 1 2 330.391 3.326 20 70 EGIDLO Cc1cc(F)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000160830947 546950596 /nfs/dbraw/zinc/95/05/96/546950596.db2.gz ILCVMZKHNGMCPL-UHFFFAOYSA-N 1 2 331.366 3.198 20 70 EGIDLO CSc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159788597 206263399 /nfs/dbraw/zinc/26/33/99/206263399.db2.gz AZPPSMJSYAWBKR-AWEZNQCLSA-N 1 2 328.441 3.204 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@@H](C)c3ccco3)c2c1 ZINC000160721799 206309747 /nfs/dbraw/zinc/30/97/47/206309747.db2.gz SZKWNTOFWNTRBQ-LBPRGKRZSA-N 1 2 340.379 3.423 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)[C@@H](C)c3ccco3)c2c1 ZINC000160721799 206309751 /nfs/dbraw/zinc/30/97/51/206309751.db2.gz SZKWNTOFWNTRBQ-LBPRGKRZSA-N 1 2 340.379 3.423 20 70 EGIDLO CS[C@@H](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000160821380 206315102 /nfs/dbraw/zinc/31/51/02/206315102.db2.gz JXYRVFRIDYOANK-LBPRGKRZSA-N 1 2 327.519 3.455 20 70 EGIDLO O=C(NCCc1cn2ccccc2[nH+]1)C1(Cc2ccccc2)CCC1 ZINC000160835976 206315109 /nfs/dbraw/zinc/31/51/09/206315109.db2.gz ZZRRAEPVUZVZPP-UHFFFAOYSA-N 1 2 333.435 3.406 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000161165295 206332795 /nfs/dbraw/zinc/33/27/95/206332795.db2.gz QBGPYBDOBLBPSD-CQSZACIVSA-N 1 2 325.412 3.133 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000161165295 206332797 /nfs/dbraw/zinc/33/27/97/206332797.db2.gz QBGPYBDOBLBPSD-CQSZACIVSA-N 1 2 325.412 3.133 20 70 EGIDLO CC[C@H](C)c1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)on1 ZINC000159623299 455390579 /nfs/dbraw/zinc/39/05/79/455390579.db2.gz FNPHFOSKZHMTFV-JTQLQIEISA-N 1 2 332.791 3.419 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(CC(F)(F)F)C(C)C)n1 ZINC000159917571 455415734 /nfs/dbraw/zinc/41/57/34/455415734.db2.gz ARGLCUAHYMROCZ-OAHLLOKOSA-N 1 2 343.393 3.326 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(CC(F)(F)F)C(C)C)n1 ZINC000159917571 455415736 /nfs/dbraw/zinc/41/57/36/455415736.db2.gz ARGLCUAHYMROCZ-OAHLLOKOSA-N 1 2 343.393 3.326 20 70 EGIDLO CCc1ccc([C@H]2COCCN2Cc2c(C)[nH+]c3ccccn32)o1 ZINC000160507671 455468042 /nfs/dbraw/zinc/46/80/42/455468042.db2.gz LESRWUJUVUUOJQ-QGZVFWFLSA-N 1 2 325.412 3.372 20 70 EGIDLO CCCC[N@H+](Cc1cccn1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000160796255 455499005 /nfs/dbraw/zinc/49/90/05/455499005.db2.gz JBVYVGLJCSTKNO-GOSISDBHSA-N 1 2 340.533 3.323 20 70 EGIDLO CCCC[N@@H+](Cc1cccn1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000160796255 455499010 /nfs/dbraw/zinc/49/90/10/455499010.db2.gz JBVYVGLJCSTKNO-GOSISDBHSA-N 1 2 340.533 3.323 20 70 EGIDLO Cc1ccsc1CCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159861762 455410431 /nfs/dbraw/zinc/41/04/31/455410431.db2.gz YMMLVAKKQFCZMZ-UHFFFAOYSA-N 1 2 343.496 3.119 20 70 EGIDLO CC1(C)CCC(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000159898665 455413315 /nfs/dbraw/zinc/41/33/15/455413315.db2.gz QWYFYNWERZPAIT-UHFFFAOYSA-N 1 2 335.517 3.394 20 70 EGIDLO CC1(C)CCC(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000159898665 455413319 /nfs/dbraw/zinc/41/33/19/455413319.db2.gz QWYFYNWERZPAIT-UHFFFAOYSA-N 1 2 335.517 3.394 20 70 EGIDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccn(CCC(C)C)n3)cn21 ZINC000159935006 455416546 /nfs/dbraw/zinc/41/65/46/455416546.db2.gz XLHOSKLFBHIPLW-UHFFFAOYSA-N 1 2 340.431 3.207 20 70 EGIDLO CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161398593 455566494 /nfs/dbraw/zinc/56/64/94/455566494.db2.gz CIZJKWCODCUIEX-HIFRSBDPSA-N 1 2 329.469 3.435 20 70 EGIDLO CC(C)[C@@H](C(=O)Nc1cccc(F)c1F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161422975 455568860 /nfs/dbraw/zinc/56/88/60/455568860.db2.gz UZUAGIIFGXTBCQ-HSMVNMDESA-N 1 2 326.387 3.037 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000160291555 225381813 /nfs/dbraw/zinc/38/18/13/225381813.db2.gz DJRBITCJVBPXCT-CABCVRRESA-N 1 2 325.437 3.167 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160349673 225394378 /nfs/dbraw/zinc/39/43/78/225394378.db2.gz CJSMSCTYZYXHJR-CVEARBPZSA-N 1 2 341.480 3.472 20 70 EGIDLO CCCCn1ncc(NC(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000160046561 307883940 /nfs/dbraw/zinc/88/39/40/307883940.db2.gz YUGPAJJDAAPRFB-UHFFFAOYSA-N 1 2 344.463 3.400 20 70 EGIDLO CC(C)c1nc(N(CCC(F)(F)F)CC2CC2)nc(N(C)C)[nH+]1 ZINC000160424702 455457026 /nfs/dbraw/zinc/45/70/26/455457026.db2.gz ZZRLDNQVQKMUTK-UHFFFAOYSA-N 1 2 331.386 3.230 20 70 EGIDLO CC(C)c1nc(N(C)C)nc(N(CCC(F)(F)F)CC2CC2)[nH+]1 ZINC000160424702 455457027 /nfs/dbraw/zinc/45/70/27/455457027.db2.gz ZZRLDNQVQKMUTK-UHFFFAOYSA-N 1 2 331.386 3.230 20 70 EGIDLO CCCC[N@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160756196 455496166 /nfs/dbraw/zinc/49/61/66/455496166.db2.gz ASTADIKLYKWUKX-CYBMUJFWSA-N 1 2 330.519 3.056 20 70 EGIDLO CCCC[N@@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160756196 455496169 /nfs/dbraw/zinc/49/61/69/455496169.db2.gz ASTADIKLYKWUKX-CYBMUJFWSA-N 1 2 330.519 3.056 20 70 EGIDLO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)OC(C)(C)C ZINC000160815710 455502207 /nfs/dbraw/zinc/50/22/07/455502207.db2.gz OHXFGKPEIPLCCT-CQSZACIVSA-N 1 2 337.435 3.194 20 70 EGIDLO O=C(NCCc1c(Cl)cccc1Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000160369081 455451718 /nfs/dbraw/zinc/45/17/18/455451718.db2.gz IIZUKAQDFMVYKD-NSHDSACASA-N 1 2 338.238 3.111 20 70 EGIDLO CCCOc1ccc(C[N@H+](CCC)Cc2nncn2C)cc1OC ZINC000160716034 455491045 /nfs/dbraw/zinc/49/10/45/455491045.db2.gz RMFZUBNZXOMJFP-UHFFFAOYSA-N 1 2 332.448 3.025 20 70 EGIDLO CCCOc1ccc(C[N@@H+](CCC)Cc2nncn2C)cc1OC ZINC000160716034 455491050 /nfs/dbraw/zinc/49/10/50/455491050.db2.gz RMFZUBNZXOMJFP-UHFFFAOYSA-N 1 2 332.448 3.025 20 70 EGIDLO CC(C)CSCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000160840968 455505129 /nfs/dbraw/zinc/50/51/29/455505129.db2.gz ABVMVOKOKPJSGH-UHFFFAOYSA-N 1 2 331.485 3.441 20 70 EGIDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc2c1OCO2 ZINC000160882607 455508519 /nfs/dbraw/zinc/50/85/19/455508519.db2.gz HOSCMMZNQRLBCS-UHFFFAOYSA-N 1 2 344.436 3.208 20 70 EGIDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc2c1OCO2 ZINC000160882607 455508523 /nfs/dbraw/zinc/50/85/23/455508523.db2.gz HOSCMMZNQRLBCS-UHFFFAOYSA-N 1 2 344.436 3.208 20 70 EGIDLO CN(Cc1c[nH+]c2ccccn12)Cc1nc(C(F)(F)F)cs1 ZINC000160923128 455513747 /nfs/dbraw/zinc/51/37/47/455513747.db2.gz CVYXZLNKOJNTAA-UHFFFAOYSA-N 1 2 326.347 3.442 20 70 EGIDLO CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161120193 455535913 /nfs/dbraw/zinc/53/59/13/455535913.db2.gz VENKECLJGAPSDW-MRXNPFEDSA-N 1 2 341.455 3.187 20 70 EGIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000161277897 455554829 /nfs/dbraw/zinc/55/48/29/455554829.db2.gz OJQZTPSLICENQA-KRWDZBQOSA-N 1 2 341.411 3.187 20 70 EGIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000161277897 455554833 /nfs/dbraw/zinc/55/48/33/455554833.db2.gz OJQZTPSLICENQA-KRWDZBQOSA-N 1 2 341.411 3.187 20 70 EGIDLO CCC(CC)c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)on1 ZINC000161280230 455555933 /nfs/dbraw/zinc/55/59/33/455555933.db2.gz GHCVYCMEFWYSJK-UHFFFAOYSA-N 1 2 334.445 3.275 20 70 EGIDLO CCC(CC)c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)on1 ZINC000161280230 455555937 /nfs/dbraw/zinc/55/59/37/455555937.db2.gz GHCVYCMEFWYSJK-UHFFFAOYSA-N 1 2 334.445 3.275 20 70 EGIDLO COc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000159993893 534139062 /nfs/dbraw/zinc/13/90/62/534139062.db2.gz PRCRDLWTILZNEV-ZDUSSCGKSA-N 1 2 346.818 3.144 20 70 EGIDLO O=C(Nc1cccc(Cl)c1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160194688 534349774 /nfs/dbraw/zinc/34/97/74/534349774.db2.gz RZLSESUUHPPMDQ-NSHDSACASA-N 1 2 334.782 3.275 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000160112226 529107479 /nfs/dbraw/zinc/10/74/79/529107479.db2.gz GGKSELYAQOKTLB-WMLDXEAASA-N 1 2 344.463 3.303 20 70 EGIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000159412137 225212083 /nfs/dbraw/zinc/21/20/83/225212083.db2.gz SHMIQXWLPRKJNN-ZDUSSCGKSA-N 1 2 340.452 3.143 20 70 EGIDLO Cc1cccn2cc(CNC(=O)[C@@H](C)Cc3ccccc3F)[nH+]c12 ZINC000159474013 225225473 /nfs/dbraw/zinc/22/54/73/225225473.db2.gz CMNBBPQZPAASOC-AWEZNQCLSA-N 1 2 325.387 3.277 20 70 EGIDLO Cc1nc(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)c(C)[nH+]1 ZINC000160015868 225319867 /nfs/dbraw/zinc/31/98/67/225319867.db2.gz IQNHMBNKIMXCNH-IBGZPJMESA-N 1 2 346.475 3.239 20 70 EGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ccccc1Cl ZINC000160140964 264868693 /nfs/dbraw/zinc/86/86/93/264868693.db2.gz LUEJDDWXYNJILW-CZUORRHYSA-N 1 2 329.831 3.463 20 70 EGIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc(OCc2nccn2C)cc1 ZINC000159368313 533696796 /nfs/dbraw/zinc/69/67/96/533696796.db2.gz GJXLSZWHIKCUCO-HNNXBMFYSA-N 1 2 325.416 3.086 20 70 EGIDLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)oc1C ZINC000159375690 455372415 /nfs/dbraw/zinc/37/24/15/455372415.db2.gz ZAINYAAAOWNCJD-UHFFFAOYSA-N 1 2 325.368 3.424 20 70 EGIDLO CCOc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)n1 ZINC000159778432 455404262 /nfs/dbraw/zinc/40/42/62/455404262.db2.gz SPLPJRIDCRHMFW-UHFFFAOYSA-N 1 2 328.412 3.056 20 70 EGIDLO CCOc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)n1 ZINC000159778432 455404266 /nfs/dbraw/zinc/40/42/66/455404266.db2.gz SPLPJRIDCRHMFW-UHFFFAOYSA-N 1 2 328.412 3.056 20 70 EGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ccccc1Cl ZINC000160141218 455432334 /nfs/dbraw/zinc/43/23/34/455432334.db2.gz LUEJDDWXYNJILW-XJKSGUPXSA-N 1 2 329.831 3.463 20 70 EGIDLO C[N@H+](Cc1cnc2cnccn12)Cc1ccccc1Br ZINC000160380071 455452724 /nfs/dbraw/zinc/45/27/24/455452724.db2.gz QKECXWOXHXKIOU-UHFFFAOYSA-N 1 2 331.217 3.124 20 70 EGIDLO C[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1Br ZINC000160380071 455452729 /nfs/dbraw/zinc/45/27/29/455452729.db2.gz QKECXWOXHXKIOU-UHFFFAOYSA-N 1 2 331.217 3.124 20 70 EGIDLO COc1c(C)cnc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1C ZINC000159552576 455385472 /nfs/dbraw/zinc/38/54/72/455385472.db2.gz VBPFVGDNBVGZGY-OAQYLSRUSA-N 1 2 338.451 3.381 20 70 EGIDLO COc1c(C)cnc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1C ZINC000159552576 455385476 /nfs/dbraw/zinc/38/54/76/455385476.db2.gz VBPFVGDNBVGZGY-OAQYLSRUSA-N 1 2 338.451 3.381 20 70 EGIDLO Fc1ccc([C@H]2CN(Cc3c[nH+]c4ccccn34)CCO2)cc1F ZINC000159632472 455391215 /nfs/dbraw/zinc/39/12/15/455391215.db2.gz RDZAXYFYCORQBZ-QGZVFWFLSA-N 1 2 329.350 3.186 20 70 EGIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159809591 455405700 /nfs/dbraw/zinc/40/57/00/455405700.db2.gz GCVMMKMJOYVMKH-SFHVURJKSA-N 1 2 330.403 3.238 20 70 EGIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159809591 455405707 /nfs/dbraw/zinc/40/57/07/455405707.db2.gz GCVMMKMJOYVMKH-SFHVURJKSA-N 1 2 330.403 3.238 20 70 EGIDLO C[C@]1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCS1 ZINC000160141668 455431477 /nfs/dbraw/zinc/43/14/77/455431477.db2.gz ASNFIBCAVXUEHI-GOSISDBHSA-N 1 2 344.484 3.016 20 70 EGIDLO CC[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000161088033 455531928 /nfs/dbraw/zinc/53/19/28/455531928.db2.gz MFFXSKNKMYKNRN-ZWKOTPCHSA-N 1 2 328.387 3.394 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000161102594 455533832 /nfs/dbraw/zinc/53/38/32/455533832.db2.gz ODIXDGWWFWHBAA-RJYAGPCLSA-N 1 2 332.444 3.104 20 70 EGIDLO CC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1cnn(C)c1 ZINC000161129348 455536975 /nfs/dbraw/zinc/53/69/75/455536975.db2.gz SJMCZQSGMSIDJW-QGZVFWFLSA-N 1 2 348.516 3.207 20 70 EGIDLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1cnn(C)c1 ZINC000161129348 455536978 /nfs/dbraw/zinc/53/69/78/455536978.db2.gz SJMCZQSGMSIDJW-QGZVFWFLSA-N 1 2 348.516 3.207 20 70 EGIDLO O[C@@H]1CCCC[C@@H]1Oc1ccc([NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161122620 455537515 /nfs/dbraw/zinc/53/75/15/455537515.db2.gz SJNXFUXFRIFFPB-MOPGFXCFSA-N 1 2 347.455 3.467 20 70 EGIDLO CCC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161265954 455554156 /nfs/dbraw/zinc/55/41/56/455554156.db2.gz ZZSUYVNRBKWDAB-RTBURBONSA-N 1 2 332.488 3.076 20 70 EGIDLO CCC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161265954 455554159 /nfs/dbraw/zinc/55/41/59/455554159.db2.gz ZZSUYVNRBKWDAB-RTBURBONSA-N 1 2 332.488 3.076 20 70 EGIDLO CCCCN(C)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161485033 455574509 /nfs/dbraw/zinc/57/45/09/455574509.db2.gz UYXFUMNQYACKBZ-OAHLLOKOSA-N 1 2 326.444 3.321 20 70 EGIDLO Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160092920 533774813 /nfs/dbraw/zinc/77/48/13/533774813.db2.gz DHKGQLFOXCRHEK-UHFFFAOYSA-N 1 2 329.831 3.001 20 70 EGIDLO C[C@H](CCC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160306748 533805332 /nfs/dbraw/zinc/80/53/32/533805332.db2.gz TVLOMNVZMKKCCA-MRXNPFEDSA-N 1 2 332.492 3.124 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000160291822 534485397 /nfs/dbraw/zinc/48/53/97/534485397.db2.gz DJRBITCJVBPXCT-HUUCEWRRSA-N 1 2 325.437 3.167 20 70 EGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c(F)cc(F)cc1F ZINC000159991283 225314598 /nfs/dbraw/zinc/31/45/98/225314598.db2.gz ZPTYNBINIGBTPY-UHFFFAOYSA-N 1 2 335.329 3.029 20 70 EGIDLO C[C@H]1CCC[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000159649962 455392784 /nfs/dbraw/zinc/39/27/84/455392784.db2.gz NJJHWKJZCOXKOB-FUHWJXTLSA-N 1 2 325.456 3.416 20 70 EGIDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(=O)NC2CC2)cc1 ZINC000159975430 455419110 /nfs/dbraw/zinc/41/91/10/455419110.db2.gz MTWBRCSOTMXFPG-UHFFFAOYSA-N 1 2 346.390 3.017 20 70 EGIDLO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000160828659 455503223 /nfs/dbraw/zinc/50/32/23/455503223.db2.gz KASXWNSVGJYOIO-UHFFFAOYSA-N 1 2 337.851 3.285 20 70 EGIDLO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000160828659 455503225 /nfs/dbraw/zinc/50/32/25/455503225.db2.gz KASXWNSVGJYOIO-UHFFFAOYSA-N 1 2 337.851 3.285 20 70 EGIDLO Cc1cccc([C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000159997292 455421517 /nfs/dbraw/zinc/42/15/17/455421517.db2.gz ZKRMCZCBYVEZCB-XLIONFOSSA-N 1 2 346.434 3.055 20 70 EGIDLO COc1c(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c(C)nn1C ZINC000160184618 455435906 /nfs/dbraw/zinc/43/59/06/455435906.db2.gz ZDQJJHCCIPOYFK-UHFFFAOYSA-N 1 2 327.384 3.412 20 70 EGIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(F)cc(F)c1 ZINC000160642496 455482845 /nfs/dbraw/zinc/48/28/45/455482845.db2.gz AJIHCEDRWITLIE-UHFFFAOYSA-N 1 2 334.366 3.434 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(F)cc(F)c1 ZINC000160642496 455482852 /nfs/dbraw/zinc/48/28/52/455482852.db2.gz AJIHCEDRWITLIE-UHFFFAOYSA-N 1 2 334.366 3.434 20 70 EGIDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000160727114 455491992 /nfs/dbraw/zinc/49/19/92/455491992.db2.gz ARBDQMRLFJRMEB-IBGZPJMESA-N 1 2 342.487 3.220 20 70 EGIDLO CCCn1c(C)nnc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000160727114 455491997 /nfs/dbraw/zinc/49/19/97/455491997.db2.gz ARBDQMRLFJRMEB-IBGZPJMESA-N 1 2 342.487 3.220 20 70 EGIDLO CC[N@H+](CC(=O)Nc1nc2ccc(C)cc2s1)Cc1ccccn1 ZINC000161113384 455534842 /nfs/dbraw/zinc/53/48/42/455534842.db2.gz ZQFLPHISQAZOEE-UHFFFAOYSA-N 1 2 340.452 3.460 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1nc2ccc(C)cc2s1)Cc1ccccn1 ZINC000161113384 455534845 /nfs/dbraw/zinc/53/48/45/455534845.db2.gz ZQFLPHISQAZOEE-UHFFFAOYSA-N 1 2 340.452 3.460 20 70 EGIDLO CC(C)c1ccc([C@H](C)CC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000160159901 528138294 /nfs/dbraw/zinc/13/82/94/528138294.db2.gz LOVPWXTYLFHEIM-MSOLQXFVSA-N 1 2 345.531 3.056 20 70 EGIDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)NCC1(C2CC2)CC1 ZINC000159521499 225232733 /nfs/dbraw/zinc/23/27/33/225232733.db2.gz VFRRIVDKFTVJLH-UHFFFAOYSA-N 1 2 338.455 3.115 20 70 EGIDLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1nnnn1-c1ccccc1 ZINC000159477313 307874344 /nfs/dbraw/zinc/87/43/44/307874344.db2.gz HKDMLOYRCVQKKY-NWDGAFQWSA-N 1 2 329.354 3.352 20 70 EGIDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159794843 455405244 /nfs/dbraw/zinc/40/52/44/455405244.db2.gz ALAQFPAEESLHQK-UHFFFAOYSA-N 1 2 339.439 3.026 20 70 EGIDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159794843 455405250 /nfs/dbraw/zinc/40/52/50/455405250.db2.gz ALAQFPAEESLHQK-UHFFFAOYSA-N 1 2 339.439 3.026 20 70 EGIDLO CC(C)CCn1ccc(NC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000160097046 455428521 /nfs/dbraw/zinc/42/85/21/455428521.db2.gz QWQGIKYLFJULHA-UHFFFAOYSA-N 1 2 344.463 3.338 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000160903972 455512408 /nfs/dbraw/zinc/51/24/08/455512408.db2.gz DEXPBANMQMJCMG-UHFFFAOYSA-N 1 2 331.428 3.143 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000160903972 455512411 /nfs/dbraw/zinc/51/24/11/455512411.db2.gz DEXPBANMQMJCMG-UHFFFAOYSA-N 1 2 331.428 3.143 20 70 EGIDLO Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000160970815 455519300 /nfs/dbraw/zinc/51/93/00/455519300.db2.gz UEAXLSLLVFKHCB-QHCPKHFHSA-N 1 2 327.453 3.012 20 70 EGIDLO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000160970815 455519306 /nfs/dbraw/zinc/51/93/06/455519306.db2.gz UEAXLSLLVFKHCB-QHCPKHFHSA-N 1 2 327.453 3.012 20 70 EGIDLO CCOCCC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000161063621 455528846 /nfs/dbraw/zinc/52/88/46/455528846.db2.gz DELWLWPARMHJGD-UHFFFAOYSA-N 1 2 341.455 3.258 20 70 EGIDLO CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000161074999 455529835 /nfs/dbraw/zinc/52/98/35/455529835.db2.gz TXIGPTCVGVBHNO-QWHCGFSZSA-N 1 2 344.484 3.446 20 70 EGIDLO Cc1ccsc1CCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000161107676 455533692 /nfs/dbraw/zinc/53/36/92/455533692.db2.gz PSIMWUNBLTVULA-UHFFFAOYSA-N 1 2 331.485 3.271 20 70 EGIDLO O=C(COc1ccc2ccccc2c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161252138 455553362 /nfs/dbraw/zinc/55/33/62/455553362.db2.gz RIHAGGZDKWOSPA-SFHVURJKSA-N 1 2 347.418 3.009 20 70 EGIDLO Cc1nc(N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc[nH+]1 ZINC000161334341 455560206 /nfs/dbraw/zinc/56/02/06/455560206.db2.gz QVCGHBMQRACAMV-GOSISDBHSA-N 1 2 332.407 3.447 20 70 EGIDLO O=C(/C=C/c1ccncc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161371458 455564098 /nfs/dbraw/zinc/56/40/98/455564098.db2.gz CSBULCWYLKRJER-AATRIKPKSA-N 1 2 341.842 3.093 20 70 EGIDLO O=C1[C@@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000217213554 456030982 /nfs/dbraw/zinc/03/09/82/456030982.db2.gz DDWQNNNPHRKXLC-VQTJNVASSA-N 1 2 336.435 3.256 20 70 EGIDLO O=C1[C@@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000217213554 456030988 /nfs/dbraw/zinc/03/09/88/456030988.db2.gz DDWQNNNPHRKXLC-VQTJNVASSA-N 1 2 336.435 3.256 20 70 EGIDLO CCCCn1ncc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000161044154 264888038 /nfs/dbraw/zinc/88/80/38/264888038.db2.gz LCLQCRHBBLPHFY-UHFFFAOYSA-N 1 2 346.500 3.011 20 70 EGIDLO COc1ccc(Nc2nnc(SCCn3cc[nH+]c3)s2)cc1 ZINC000159463071 307874188 /nfs/dbraw/zinc/87/41/88/307874188.db2.gz SLAXXZHUHQSEPS-UHFFFAOYSA-N 1 2 333.442 3.279 20 70 EGIDLO Cc1cccc([C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccn2)c1 ZINC000160087801 307884320 /nfs/dbraw/zinc/88/43/20/307884320.db2.gz CQVFFMLJAXHWKI-XLIONFOSSA-N 1 2 346.434 3.055 20 70 EGIDLO Cc1ccsc1CCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160126183 307885072 /nfs/dbraw/zinc/88/50/72/307885072.db2.gz GTLDQXYZUSKSLG-UHFFFAOYSA-N 1 2 343.496 3.119 20 70 EGIDLO FC(F)(F)c1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000160418883 455457427 /nfs/dbraw/zinc/45/74/27/455457427.db2.gz CRJOYMAQDHJHNB-LBPRGKRZSA-N 1 2 349.784 3.055 20 70 EGIDLO COc1c(C)cnc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1C ZINC000159552725 455384792 /nfs/dbraw/zinc/38/47/92/455384792.db2.gz VBPFVGDNBVGZGY-NRFANRHFSA-N 1 2 338.451 3.381 20 70 EGIDLO COc1c(C)cnc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1C ZINC000159552725 455384796 /nfs/dbraw/zinc/38/47/96/455384796.db2.gz VBPFVGDNBVGZGY-NRFANRHFSA-N 1 2 338.451 3.381 20 70 EGIDLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)s1 ZINC000159918003 455415175 /nfs/dbraw/zinc/41/51/75/455415175.db2.gz BZHBPHLJJRSAJB-SFHVURJKSA-N 1 2 343.496 3.467 20 70 EGIDLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)s1 ZINC000159918003 455415182 /nfs/dbraw/zinc/41/51/82/455415182.db2.gz BZHBPHLJJRSAJB-SFHVURJKSA-N 1 2 343.496 3.467 20 70 EGIDLO CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160997566 455522496 /nfs/dbraw/zinc/52/24/96/455522496.db2.gz WGYYPYDKYNYCLR-CQSZACIVSA-N 1 2 344.390 3.020 20 70 EGIDLO OC[C@H]1CCCN(c2cc(N[C@H]3CCCc4sccc43)[nH+]cn2)C1 ZINC000161075043 455530101 /nfs/dbraw/zinc/53/01/01/455530101.db2.gz GQSISKYGMGNZEC-ZFWWWQNUSA-N 1 2 344.484 3.236 20 70 EGIDLO OC[C@H]1CCCN(c2cc(N[C@H]3CCCc4sccc43)nc[nH+]2)C1 ZINC000161075043 455530105 /nfs/dbraw/zinc/53/01/05/455530105.db2.gz GQSISKYGMGNZEC-ZFWWWQNUSA-N 1 2 344.484 3.236 20 70 EGIDLO CCOc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000161145142 455539987 /nfs/dbraw/zinc/53/99/87/455539987.db2.gz FVAUHPPFRSOBON-CQSZACIVSA-N 1 2 344.390 3.020 20 70 EGIDLO Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OCC(F)F ZINC000161157267 455540990 /nfs/dbraw/zinc/54/09/90/455540990.db2.gz LOMSSHGPVARXCD-LBPRGKRZSA-N 1 2 335.354 3.037 20 70 EGIDLO O=C(/C=C/c1ccnc2ccccc12)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161289057 455556066 /nfs/dbraw/zinc/55/60/66/455556066.db2.gz HZBXBLPJPKMAQA-IJDCCNJMSA-N 1 2 344.418 3.038 20 70 EGIDLO C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC000159626934 533991617 /nfs/dbraw/zinc/99/16/17/533991617.db2.gz IEUGUQNGLBHSIR-HZPDHXFCSA-N 1 2 331.460 3.029 20 70 EGIDLO Cc1cccc([C@@H](NC(=O)CCCn2cc[nH+]c2)c2ccccn2)c1 ZINC000159858302 546941920 /nfs/dbraw/zinc/94/19/20/546941920.db2.gz HMDUKRMODMOHPR-HXUWFJFHSA-N 1 2 334.423 3.273 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)n1 ZINC000159787213 302036353 /nfs/dbraw/zinc/03/63/53/302036353.db2.gz MVNRKMLFMBJQDZ-GOSISDBHSA-N 1 2 348.454 3.320 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)n1 ZINC000159787213 302036356 /nfs/dbraw/zinc/03/63/56/302036356.db2.gz MVNRKMLFMBJQDZ-GOSISDBHSA-N 1 2 348.454 3.320 20 70 EGIDLO CSc1ccccc1NC(=O)CN(C)Cc1[nH+]ccn1C(C)C ZINC000160689473 455487838 /nfs/dbraw/zinc/48/78/38/455487838.db2.gz YWVSJQYHXKFTCY-UHFFFAOYSA-N 1 2 332.473 3.256 20 70 EGIDLO CCCC[N@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160789607 455499283 /nfs/dbraw/zinc/49/92/83/455499283.db2.gz KOVQKQJCRFLPOA-AWEZNQCLSA-N 1 2 342.530 3.200 20 70 EGIDLO CCCC[N@@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160789607 455499288 /nfs/dbraw/zinc/49/92/88/455499288.db2.gz KOVQKQJCRFLPOA-AWEZNQCLSA-N 1 2 342.530 3.200 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3ccsc3)c2c1 ZINC000160485296 455465637 /nfs/dbraw/zinc/46/56/37/455465637.db2.gz LWZSEHBBBGCSTC-UHFFFAOYSA-N 1 2 342.420 3.331 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3ccsc3)c2c1 ZINC000160485296 455465641 /nfs/dbraw/zinc/46/56/41/455465641.db2.gz LWZSEHBBBGCSTC-UHFFFAOYSA-N 1 2 342.420 3.331 20 70 EGIDLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3cnn(C)c3)o2)cc1C ZINC000160559624 455473552 /nfs/dbraw/zinc/47/35/52/455473552.db2.gz QAQFGSRAEMJDJI-AWEZNQCLSA-N 1 2 325.416 3.280 20 70 EGIDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3cnn(C)c3)o2)cc1C ZINC000160559624 455473555 /nfs/dbraw/zinc/47/35/55/455473555.db2.gz QAQFGSRAEMJDJI-AWEZNQCLSA-N 1 2 325.416 3.280 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000161103160 455533761 /nfs/dbraw/zinc/53/37/61/455533761.db2.gz CBQDLYOWSQLBGV-ZDUSSCGKSA-N 1 2 334.851 3.231 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000161103160 455533767 /nfs/dbraw/zinc/53/37/67/455533767.db2.gz CBQDLYOWSQLBGV-ZDUSSCGKSA-N 1 2 334.851 3.231 20 70 EGIDLO CN(CCc1cccc2ccccc21)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161112310 455535248 /nfs/dbraw/zinc/53/52/48/455535248.db2.gz NXMKFYHNJQUPRE-SFHVURJKSA-N 1 2 333.435 3.300 20 70 EGIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cncc(-c2ccccc2)c1 ZINC000161404721 455566970 /nfs/dbraw/zinc/56/69/70/455566970.db2.gz FNDANZWJAGYTKI-IBGZPJMESA-N 1 2 344.418 3.152 20 70 EGIDLO CC(C)n1nccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161439834 455570542 /nfs/dbraw/zinc/57/05/42/455570542.db2.gz KGLBCKDFCDSXSJ-UHFFFAOYSA-N 1 2 346.862 3.075 20 70 EGIDLO CC(C)c1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000161480385 455574081 /nfs/dbraw/zinc/57/40/81/455574081.db2.gz YZEICOIYGZQLRY-UHFFFAOYSA-N 1 2 334.423 3.380 20 70 EGIDLO CC(C)Oc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160902672 528192723 /nfs/dbraw/zinc/19/27/23/528192723.db2.gz GGYKFHYBFBZPBV-INIZCTEOSA-N 1 2 340.427 3.269 20 70 EGIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000159767965 546941835 /nfs/dbraw/zinc/94/18/35/546941835.db2.gz GUNSKCGYSVCAPM-MRXNPFEDSA-N 1 2 339.439 3.402 20 70 EGIDLO Fc1cc([C@H]2CN(CCn3cc[nH+]c3)CCO2)c(Cl)cc1Cl ZINC000159813168 225283468 /nfs/dbraw/zinc/28/34/68/225283468.db2.gz XDIVVXGPJULCON-OAHLLOKOSA-N 1 2 344.217 3.403 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)CCC(F)(F)F)c2c1 ZINC000160811688 275196076 /nfs/dbraw/zinc/19/60/76/275196076.db2.gz RFYARZSEDDLTHX-UHFFFAOYSA-N 1 2 342.317 3.021 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)CCC(F)(F)F)c2c1 ZINC000160811688 275196077 /nfs/dbraw/zinc/19/60/77/275196077.db2.gz RFYARZSEDDLTHX-UHFFFAOYSA-N 1 2 342.317 3.021 20 70 EGIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000159435463 533696778 /nfs/dbraw/zinc/69/67/78/533696778.db2.gz APADTLKGBHWESF-YESZJQIVSA-N 1 2 328.460 3.387 20 70 EGIDLO COc1ccc(CNc2nnc(SCCn3cc[nH+]c3)s2)cc1 ZINC000159747797 455400154 /nfs/dbraw/zinc/40/01/54/455400154.db2.gz TUXXSBPCABZSOC-UHFFFAOYSA-N 1 2 347.469 3.148 20 70 EGIDLO C[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1cccs1 ZINC000160689637 455488227 /nfs/dbraw/zinc/48/82/27/455488227.db2.gz YPFAHYJIILNKFB-LSDHHAIUSA-N 1 2 329.469 3.152 20 70 EGIDLO c1cc(-c2nc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)no2)cs1 ZINC000160817812 455501849 /nfs/dbraw/zinc/50/18/49/455501849.db2.gz ACYVPSCFYRGXOZ-HNNXBMFYSA-N 1 2 326.425 3.485 20 70 EGIDLO c1cc(-c2nc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)no2)cs1 ZINC000160817812 455501855 /nfs/dbraw/zinc/50/18/55/455501855.db2.gz ACYVPSCFYRGXOZ-HNNXBMFYSA-N 1 2 326.425 3.485 20 70 EGIDLO Cc1ccc2nc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)cn2c1 ZINC000159604158 455388574 /nfs/dbraw/zinc/38/85/74/455388574.db2.gz FYWXVCHZMNQFBR-OAQYLSRUSA-N 1 2 333.435 3.317 20 70 EGIDLO Cc1ccc2nc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)cn2c1 ZINC000159604158 455388575 /nfs/dbraw/zinc/38/85/75/455388575.db2.gz FYWXVCHZMNQFBR-OAQYLSRUSA-N 1 2 333.435 3.317 20 70 EGIDLO C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H](C)C1 ZINC000161388908 455565534 /nfs/dbraw/zinc/56/55/34/455565534.db2.gz ZEMPFXCMWJYZLG-DLBZAZTESA-N 1 2 345.487 3.419 20 70 EGIDLO CC(C)[C@@H](C(=O)Nc1cccc(F)c1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161422729 455568562 /nfs/dbraw/zinc/56/85/62/455568562.db2.gz UZUAGIIFGXTBCQ-OZVIIMIRSA-N 1 2 326.387 3.037 20 70 EGIDLO CC(C)[C@@H](C(=O)Nc1cccc(F)c1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161422729 455568563 /nfs/dbraw/zinc/56/85/63/455568563.db2.gz UZUAGIIFGXTBCQ-OZVIIMIRSA-N 1 2 326.387 3.037 20 70 EGIDLO C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161472956 455572690 /nfs/dbraw/zinc/57/26/90/455572690.db2.gz FJHPQJPYQOJELB-GOEBONIOSA-N 1 2 343.858 3.309 20 70 EGIDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCn1cccc1 ZINC000159624868 533935042 /nfs/dbraw/zinc/93/50/42/533935042.db2.gz CUJOXSSURFJVAO-UHFFFAOYSA-N 1 2 341.455 3.048 20 70 EGIDLO CS(=O)(=O)CCCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000161239912 546954758 /nfs/dbraw/zinc/95/47/58/546954758.db2.gz QBWOGFMHCJLVJY-UHFFFAOYSA-N 1 2 327.471 3.168 20 70 EGIDLO CS(=O)(=O)CCCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000161239912 546954763 /nfs/dbraw/zinc/95/47/63/546954763.db2.gz QBWOGFMHCJLVJY-UHFFFAOYSA-N 1 2 327.471 3.168 20 70 EGIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000159492523 225228769 /nfs/dbraw/zinc/22/87/69/225228769.db2.gz AQGQNOWGKQGOGP-SWLSCSKDSA-N 1 2 335.473 3.073 20 70 EGIDLO O=C(C[C@@H]1CSCCS1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159875936 225294460 /nfs/dbraw/zinc/29/44/60/225294460.db2.gz SNXNSLQQOBNDMZ-GFCCVEGCSA-N 1 2 337.445 3.189 20 70 EGIDLO COC[C@@H](NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000160300870 225382827 /nfs/dbraw/zinc/38/28/27/225382827.db2.gz NNVHMMPRVIDUTO-QGZVFWFLSA-N 1 2 327.384 3.420 20 70 EGIDLO COCc1cccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000159670279 455394505 /nfs/dbraw/zinc/39/45/05/455394505.db2.gz DKHVEASHNVJAQS-HNNXBMFYSA-N 1 2 342.443 3.053 20 70 EGIDLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000160441267 455459036 /nfs/dbraw/zinc/45/90/36/455459036.db2.gz BYEKHHOJKCFGMN-WFASDCNBSA-N 1 2 335.835 3.486 20 70 EGIDLO CO[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000160441267 455459040 /nfs/dbraw/zinc/45/90/40/455459040.db2.gz BYEKHHOJKCFGMN-WFASDCNBSA-N 1 2 335.835 3.486 20 70 EGIDLO CC(C)n1nccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000160838555 455503920 /nfs/dbraw/zinc/50/39/20/455503920.db2.gz JYNXYWGJDNMAQJ-CYBMUJFWSA-N 1 2 347.488 3.405 20 70 EGIDLO CC(C)n1nccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000160838555 455503927 /nfs/dbraw/zinc/50/39/27/455503927.db2.gz JYNXYWGJDNMAQJ-CYBMUJFWSA-N 1 2 347.488 3.405 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(CC(F)(F)F)C(C)C)n1 ZINC000159917421 455415542 /nfs/dbraw/zinc/41/55/42/455415542.db2.gz ARGLCUAHYMROCZ-HNNXBMFYSA-N 1 2 343.393 3.326 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(CC(F)(F)F)C(C)C)n1 ZINC000159917421 455415547 /nfs/dbraw/zinc/41/55/47/455415547.db2.gz ARGLCUAHYMROCZ-HNNXBMFYSA-N 1 2 343.393 3.326 20 70 EGIDLO Cc1ccn2c(CNc3cc(C(=O)NC4CC4)ccc3C)c[nH+]c2c1 ZINC000160254239 455441724 /nfs/dbraw/zinc/44/17/24/455441724.db2.gz NUHAMFSLAHFTAF-UHFFFAOYSA-N 1 2 334.423 3.455 20 70 EGIDLO Cc1ccsc1CCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160620432 455481458 /nfs/dbraw/zinc/48/14/58/455481458.db2.gz YJOCWBUCFJTFCB-UHFFFAOYSA-N 1 2 343.496 3.119 20 70 EGIDLO O=S(=O)(Cc1cccc(F)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160916212 455513369 /nfs/dbraw/zinc/51/33/69/455513369.db2.gz WQAQAEDXRNCUHZ-UHFFFAOYSA-N 1 2 349.362 3.092 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000161046883 455526685 /nfs/dbraw/zinc/52/66/85/455526685.db2.gz PLACMXKNXZTSDF-HNNXBMFYSA-N 1 2 327.428 3.248 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000161046883 455526689 /nfs/dbraw/zinc/52/66/89/455526689.db2.gz PLACMXKNXZTSDF-HNNXBMFYSA-N 1 2 327.428 3.248 20 70 EGIDLO CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000161075115 455529789 /nfs/dbraw/zinc/52/97/89/455529789.db2.gz TXIGPTCVGVBHNO-OLZOCXBDSA-N 1 2 344.484 3.446 20 70 EGIDLO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cnn(C)c1 ZINC000161076005 455530918 /nfs/dbraw/zinc/53/09/18/455530918.db2.gz PYFQXIXWNUYURH-UHFFFAOYSA-N 1 2 334.851 3.151 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cnn(C)c1 ZINC000161076005 455530921 /nfs/dbraw/zinc/53/09/21/455530921.db2.gz PYFQXIXWNUYURH-UHFFFAOYSA-N 1 2 334.851 3.151 20 70 EGIDLO O=C(NC1(c2ccc(F)cc2F)CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161082690 455531117 /nfs/dbraw/zinc/53/11/17/455531117.db2.gz ZNCZEPNKRGQVDK-CYBMUJFWSA-N 1 2 345.393 3.309 20 70 EGIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccsc1 ZINC000160218843 527922165 /nfs/dbraw/zinc/92/21/65/527922165.db2.gz KPHGCOXEIUIKSC-UHFFFAOYSA-N 1 2 331.441 3.167 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccsc1 ZINC000160218843 527922168 /nfs/dbraw/zinc/92/21/68/527922168.db2.gz KPHGCOXEIUIKSC-UHFFFAOYSA-N 1 2 331.441 3.167 20 70 EGIDLO Cc1nccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000159929679 546942902 /nfs/dbraw/zinc/94/29/02/546942902.db2.gz ZOYGQASAIOCZJL-FZMZJTMJSA-N 1 2 333.823 3.355 20 70 EGIDLO C[C@@H](CC(=O)NCCNc1ccc2ccccc2[nH+]1)c1ccncc1 ZINC000160880972 546950611 /nfs/dbraw/zinc/95/06/11/546950611.db2.gz OTEMEKYJLJEGFI-HNNXBMFYSA-N 1 2 334.423 3.352 20 70 EGIDLO CN(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000159582123 140941422 /nfs/dbraw/zinc/94/14/22/140941422.db2.gz JHQXESOCBIBBBJ-UHFFFAOYSA-N 1 2 349.394 3.218 20 70 EGIDLO Cc1c(Cl)cccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159827680 225284587 /nfs/dbraw/zinc/28/45/87/225284587.db2.gz UJNLPUSQMRMNDS-CYBMUJFWSA-N 1 2 330.819 3.444 20 70 EGIDLO C[C@@](O)(CNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1Cl ZINC000160159349 225349102 /nfs/dbraw/zinc/34/91/02/225349102.db2.gz NYSLQPJWPKCAHA-GOSISDBHSA-N 1 2 346.862 3.440 20 70 EGIDLO C[C@@](O)(CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1Cl ZINC000160159349 225349107 /nfs/dbraw/zinc/34/91/07/225349107.db2.gz NYSLQPJWPKCAHA-GOSISDBHSA-N 1 2 346.862 3.440 20 70 EGIDLO O=C(CCc1nc(-c2ccoc2)no1)Nc1ccccc1-n1cc[nH+]c1 ZINC000159579752 455387219 /nfs/dbraw/zinc/38/72/19/455387219.db2.gz HKGXDLSBWOWXKN-UHFFFAOYSA-N 1 2 349.350 3.087 20 70 EGIDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2Br)c[nH]1 ZINC000160383824 455452352 /nfs/dbraw/zinc/45/23/52/455452352.db2.gz NDHIGWAXOGVUJM-UHFFFAOYSA-N 1 2 337.217 3.196 20 70 EGIDLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159593582 455387810 /nfs/dbraw/zinc/38/78/10/455387810.db2.gz UGQOTRBZQIXUEM-FAKMSMKASA-N 1 2 327.472 3.120 20 70 EGIDLO CC[C@H](OC1CCCCC1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000159632019 455391002 /nfs/dbraw/zinc/39/10/02/455391002.db2.gz ZYJSOXLQEWTCPY-AWEZNQCLSA-N 1 2 337.489 3.197 20 70 EGIDLO CC[C@H](OC1CCCCC1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000159632019 455391005 /nfs/dbraw/zinc/39/10/05/455391005.db2.gz ZYJSOXLQEWTCPY-AWEZNQCLSA-N 1 2 337.489 3.197 20 70 EGIDLO C[C@@H]1CCC[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000159649792 455392127 /nfs/dbraw/zinc/39/21/27/455392127.db2.gz NJJHWKJZCOXKOB-SJLPKXTDSA-N 1 2 325.456 3.416 20 70 EGIDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2Br)c[nH]1 ZINC000160383824 455452345 /nfs/dbraw/zinc/45/23/45/455452345.db2.gz NDHIGWAXOGVUJM-UHFFFAOYSA-N 1 2 337.217 3.196 20 70 EGIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2nc3c(cccc3C)[nH]2)c1 ZINC000160467042 455462132 /nfs/dbraw/zinc/46/21/32/455462132.db2.gz DZDWMMPBOGAANH-UHFFFAOYSA-N 1 2 345.406 3.295 20 70 EGIDLO CC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1cnn(C)c1 ZINC000161129202 455537057 /nfs/dbraw/zinc/53/70/57/455537057.db2.gz SJMCZQSGMSIDJW-KRWDZBQOSA-N 1 2 348.516 3.207 20 70 EGIDLO CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1cnn(C)c1 ZINC000161129202 455537060 /nfs/dbraw/zinc/53/70/60/455537060.db2.gz SJMCZQSGMSIDJW-KRWDZBQOSA-N 1 2 348.516 3.207 20 70 EGIDLO CC(C)n1ncc2cc(C[N@@H+]3CCO[C@@H](c4nccs4)C3)cnc21 ZINC000161449232 455571216 /nfs/dbraw/zinc/57/12/16/455571216.db2.gz XOMKFLYKEXBSCB-OAHLLOKOSA-N 1 2 343.456 3.042 20 70 EGIDLO CC(C)n1ncc2cc(C[N@H+]3CCO[C@@H](c4nccs4)C3)cnc21 ZINC000161449232 455571222 /nfs/dbraw/zinc/57/12/22/455571222.db2.gz XOMKFLYKEXBSCB-OAHLLOKOSA-N 1 2 343.456 3.042 20 70 EGIDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccsc3)CC2)cc1 ZINC000217061910 456031460 /nfs/dbraw/zinc/03/14/60/456031460.db2.gz XQROJOFQYUHIBI-UHFFFAOYSA-N 1 2 344.480 3.034 20 70 EGIDLO O=C(Nc1cc(Cl)ccc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160258461 534819677 /nfs/dbraw/zinc/81/96/77/534819677.db2.gz QOATWEPHYWQDOD-LBPRGKRZSA-N 1 2 334.782 3.275 20 70 EGIDLO O=C(Nc1ccc(Cl)cc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159929172 534827729 /nfs/dbraw/zinc/82/77/29/534827729.db2.gz PNTVNOVAVNSWMD-GFCCVEGCSA-N 1 2 334.782 3.275 20 70 EGIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000159492159 225227614 /nfs/dbraw/zinc/22/76/14/225227614.db2.gz AQGQNOWGKQGOGP-DOMZBBRYSA-N 1 2 335.473 3.073 20 70 EGIDLO CCN(CC)c1ncc(C[NH2+]C2(c3noc(C)n3)CCCC2)s1 ZINC000161378945 307902131 /nfs/dbraw/zinc/90/21/31/307902131.db2.gz JZIJWNQGKHQELM-UHFFFAOYSA-N 1 2 335.477 3.240 20 70 EGIDLO CCOC(=O)C[N@H+](CCOC)[C@H](C)c1cccc(Br)c1 ZINC000159581800 455387068 /nfs/dbraw/zinc/38/70/68/455387068.db2.gz MGBKACRDFBMTBZ-GFCCVEGCSA-N 1 2 344.249 3.022 20 70 EGIDLO CCOC(=O)C[N@@H+](CCOC)[C@H](C)c1cccc(Br)c1 ZINC000159581800 455387073 /nfs/dbraw/zinc/38/70/73/455387073.db2.gz MGBKACRDFBMTBZ-GFCCVEGCSA-N 1 2 344.249 3.022 20 70 EGIDLO Cc1ccc(Br)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160092686 455428378 /nfs/dbraw/zinc/42/83/78/455428378.db2.gz HNOXRTATQRAYPV-LLVKDONJSA-N 1 2 334.217 3.155 20 70 EGIDLO CC[C@@H](C)OCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000160516402 455468620 /nfs/dbraw/zinc/46/86/20/455468620.db2.gz UNKRVFDVXJDYGT-QWHCGFSZSA-N 1 2 325.478 3.129 20 70 EGIDLO CC[C@@H](C)OCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000160516402 455468626 /nfs/dbraw/zinc/46/86/26/455468626.db2.gz UNKRVFDVXJDYGT-QWHCGFSZSA-N 1 2 325.478 3.129 20 70 EGIDLO C[C@@H]1CCC[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000159649533 455392131 /nfs/dbraw/zinc/39/21/31/455392131.db2.gz NJJHWKJZCOXKOB-AEFFLSMTSA-N 1 2 325.456 3.416 20 70 EGIDLO O=C(Nc1cccc2c1CCCC2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159960174 455418515 /nfs/dbraw/zinc/41/85/15/455418515.db2.gz ULCVJAAQDMLJFV-INIZCTEOSA-N 1 2 336.439 3.361 20 70 EGIDLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233591 455440853 /nfs/dbraw/zinc/44/08/53/455440853.db2.gz GCEGYPKGLRNETA-YPMHNXCESA-N 1 2 349.818 3.131 20 70 EGIDLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233591 455440855 /nfs/dbraw/zinc/44/08/55/455440855.db2.gz GCEGYPKGLRNETA-YPMHNXCESA-N 1 2 349.818 3.131 20 70 EGIDLO C[N@@H+]1CCN(C(=O)c2ccnc(Cl)c2F)[C@H](c2ccccc2)C1 ZINC000161268051 455553508 /nfs/dbraw/zinc/55/35/08/455553508.db2.gz CXQCBTPLZIJOJR-AWEZNQCLSA-N 1 2 333.794 3.003 20 70 EGIDLO C[N@H+]1CCN(C(=O)c2ccnc(Cl)c2F)[C@H](c2ccccc2)C1 ZINC000161268051 455553512 /nfs/dbraw/zinc/55/35/12/455553512.db2.gz CXQCBTPLZIJOJR-AWEZNQCLSA-N 1 2 333.794 3.003 20 70 EGIDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160188311 527954326 /nfs/dbraw/zinc/95/43/26/527954326.db2.gz OUJFISTXYYVWCT-AWEZNQCLSA-N 1 2 345.418 3.361 20 70 EGIDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160188311 527954330 /nfs/dbraw/zinc/95/43/30/527954330.db2.gz OUJFISTXYYVWCT-AWEZNQCLSA-N 1 2 345.418 3.361 20 70 EGIDLO CC(C)c1nc(N(C)C)nc(NC[C@@](C)(O)c2ccccc2Cl)[nH+]1 ZINC000160184426 528293491 /nfs/dbraw/zinc/29/34/91/528293491.db2.gz LTTFWJBDAVSHLQ-QGZVFWFLSA-N 1 2 349.866 3.034 20 70 EGIDLO CC(C)c1nc(NC[C@@](C)(O)c2ccccc2Cl)nc(N(C)C)[nH+]1 ZINC000160184426 528293497 /nfs/dbraw/zinc/29/34/97/528293497.db2.gz LTTFWJBDAVSHLQ-QGZVFWFLSA-N 1 2 349.866 3.034 20 70 EGIDLO Cc1nccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000159929552 546942897 /nfs/dbraw/zinc/94/28/97/546942897.db2.gz ZOYGQASAIOCZJL-BXUZGUMPSA-N 1 2 333.823 3.355 20 70 EGIDLO CCCC[C@H](CCC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160587561 307892215 /nfs/dbraw/zinc/89/22/15/307892215.db2.gz BSQKQXYPMIQBJB-KRWDZBQOSA-N 1 2 332.492 3.268 20 70 EGIDLO C[C@@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCc2ccccc21 ZINC000159550491 455384573 /nfs/dbraw/zinc/38/45/73/455384573.db2.gz YSZVSYSGFVDVLH-JOCHJYFZSA-N 1 2 349.478 3.020 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)ccc2F)n1 ZINC000160168832 455434389 /nfs/dbraw/zinc/43/43/89/455434389.db2.gz KUACTAXGRIRDJP-KRWDZBQOSA-N 1 2 331.366 3.444 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(F)ccc2F)n1 ZINC000160168832 455434394 /nfs/dbraw/zinc/43/43/94/455434394.db2.gz KUACTAXGRIRDJP-KRWDZBQOSA-N 1 2 331.366 3.444 20 70 EGIDLO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3cnn(C)c3)o2)cc1C ZINC000160559531 455474107 /nfs/dbraw/zinc/47/41/07/455474107.db2.gz QAQFGSRAEMJDJI-CQSZACIVSA-N 1 2 325.416 3.280 20 70 EGIDLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3cnn(C)c3)o2)cc1C ZINC000160559531 455474110 /nfs/dbraw/zinc/47/41/10/455474110.db2.gz QAQFGSRAEMJDJI-CQSZACIVSA-N 1 2 325.416 3.280 20 70 EGIDLO O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000159572954 455385716 /nfs/dbraw/zinc/38/57/16/455385716.db2.gz JUKXCVJUQCRCFG-SFHVURJKSA-N 1 2 339.439 3.153 20 70 EGIDLO O=C(NCCc1cc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159616697 455389147 /nfs/dbraw/zinc/38/91/47/455389147.db2.gz NWNHBEXGJSWTIZ-UHFFFAOYSA-N 1 2 330.391 3.326 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)n1 ZINC000160585499 455477437 /nfs/dbraw/zinc/47/74/37/455477437.db2.gz XKHWUFRRMVVUIQ-INIZCTEOSA-N 1 2 343.427 3.099 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)n1 ZINC000160585499 455477440 /nfs/dbraw/zinc/47/74/40/455477440.db2.gz XKHWUFRRMVVUIQ-INIZCTEOSA-N 1 2 343.427 3.099 20 70 EGIDLO O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161054388 455528059 /nfs/dbraw/zinc/52/80/59/455528059.db2.gz BVWOLIGGCJUTBB-AWEZNQCLSA-N 1 2 334.379 3.272 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000161110512 455535082 /nfs/dbraw/zinc/53/50/82/455535082.db2.gz LWBXTKYYWJTSFP-NSHDSACASA-N 1 2 344.488 3.207 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000161110512 455535085 /nfs/dbraw/zinc/53/50/85/455535085.db2.gz LWBXTKYYWJTSFP-NSHDSACASA-N 1 2 344.488 3.207 20 70 EGIDLO CCCCn1ncc(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1C ZINC000161167285 455542951 /nfs/dbraw/zinc/54/29/51/455542951.db2.gz MFOHIYBYHPVLAB-UHFFFAOYSA-N 1 2 339.443 3.080 20 70 EGIDLO C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000161295581 455556438 /nfs/dbraw/zinc/55/64/38/455556438.db2.gz YKFVJDVMXHISBN-OAHLLOKOSA-N 1 2 342.414 3.035 20 70 EGIDLO C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000161295581 455556440 /nfs/dbraw/zinc/55/64/40/455556440.db2.gz YKFVJDVMXHISBN-OAHLLOKOSA-N 1 2 342.414 3.035 20 70 EGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(COC)o1 ZINC000160240491 527920872 /nfs/dbraw/zinc/92/08/72/527920872.db2.gz HIZZKDJWCTXELG-UHFFFAOYSA-N 1 2 338.354 3.165 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(COC)o1 ZINC000160240491 527920878 /nfs/dbraw/zinc/92/08/78/527920878.db2.gz HIZZKDJWCTXELG-UHFFFAOYSA-N 1 2 338.354 3.165 20 70 EGIDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160188180 527946615 /nfs/dbraw/zinc/94/66/15/527946615.db2.gz OUJFISTXYYVWCT-CQSZACIVSA-N 1 2 345.418 3.361 20 70 EGIDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160188180 527946617 /nfs/dbraw/zinc/94/66/17/527946617.db2.gz OUJFISTXYYVWCT-CQSZACIVSA-N 1 2 345.418 3.361 20 70 EGIDLO CC(C)n1cccc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000160253270 528604399 /nfs/dbraw/zinc/60/43/99/528604399.db2.gz VACIMODNOFDPBS-UHFFFAOYSA-N 1 2 327.428 3.154 20 70 EGIDLO Cc1ccccc1-c1noc([C@@H](C)SCC[NH+]2CCOCC2)n1 ZINC000159769862 225274266 /nfs/dbraw/zinc/27/42/66/225274266.db2.gz ZNARFWJIANRKJF-CQSZACIVSA-N 1 2 333.457 3.171 20 70 EGIDLO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160265378 225375008 /nfs/dbraw/zinc/37/50/08/225375008.db2.gz FAXWUVFKXQQTOH-VAMGGRTRSA-N 1 2 341.499 3.332 20 70 EGIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCCc3sccc32)C1 ZINC000159375822 455372853 /nfs/dbraw/zinc/37/28/53/455372853.db2.gz JEDYLKWGSPJFBH-ZBFHGGJFSA-N 1 2 343.496 3.383 20 70 EGIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000160690433 455487684 /nfs/dbraw/zinc/48/76/84/455487684.db2.gz XRGJPKORSAMXMS-LSDHHAIUSA-N 1 2 329.469 3.152 20 70 EGIDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccs1 ZINC000160689506 455488044 /nfs/dbraw/zinc/48/80/44/455488044.db2.gz YPFAHYJIILNKFB-GJZGRUSLSA-N 1 2 329.469 3.152 20 70 EGIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnn(C(C)(C)C)c1 ZINC000160651463 455484263 /nfs/dbraw/zinc/48/42/63/455484263.db2.gz RVKYGBNHPVGBHD-UHFFFAOYSA-N 1 2 344.459 3.107 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnn(C(C)(C)C)c1 ZINC000160651463 455484266 /nfs/dbraw/zinc/48/42/66/455484266.db2.gz RVKYGBNHPVGBHD-UHFFFAOYSA-N 1 2 344.459 3.107 20 70 EGIDLO Cn1cnnc1C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000160731054 455492657 /nfs/dbraw/zinc/49/26/57/455492657.db2.gz GTPMTXROPSZGOY-UHFFFAOYSA-N 1 2 347.875 3.458 20 70 EGIDLO CCOC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)o1 ZINC000160933466 455514954 /nfs/dbraw/zinc/51/49/54/455514954.db2.gz JOJTUMYDNUFSPR-UHFFFAOYSA-N 1 2 344.411 3.144 20 70 EGIDLO CCOC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)o1 ZINC000160933466 455514955 /nfs/dbraw/zinc/51/49/55/455514955.db2.gz JOJTUMYDNUFSPR-UHFFFAOYSA-N 1 2 344.411 3.144 20 70 EGIDLO CC(=O)Nc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160932754 455514975 /nfs/dbraw/zinc/51/49/75/455514975.db2.gz DVZLFWTZIUETHA-UHFFFAOYSA-N 1 2 339.439 3.332 20 70 EGIDLO CC(=O)Nc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160932754 455514977 /nfs/dbraw/zinc/51/49/77/455514977.db2.gz DVZLFWTZIUETHA-UHFFFAOYSA-N 1 2 339.439 3.332 20 70 EGIDLO CC[C@H](C)[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)C(=O)OC(C)(C)C ZINC000160950136 455516475 /nfs/dbraw/zinc/51/64/75/455516475.db2.gz YKJHSUVVIFAREV-GUYCJALGSA-N 1 2 334.460 3.491 20 70 EGIDLO CCOc1cc(F)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160997672 455522437 /nfs/dbraw/zinc/52/24/37/455522437.db2.gz WGYYPYDKYNYCLR-AWEZNQCLSA-N 1 2 344.390 3.020 20 70 EGIDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1c(C)nn(C)c1C ZINC000161058535 455529015 /nfs/dbraw/zinc/52/90/15/455529015.db2.gz XLELQNCNQSHEQY-UHFFFAOYSA-N 1 2 328.460 3.114 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1c(C)nn(C)c1C ZINC000161058535 455529020 /nfs/dbraw/zinc/52/90/20/455529020.db2.gz XLELQNCNQSHEQY-UHFFFAOYSA-N 1 2 328.460 3.114 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161114893 455535840 /nfs/dbraw/zinc/53/58/40/455535840.db2.gz GPOWWJIREVWKKI-OAHLLOKOSA-N 1 2 334.423 3.479 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161114893 455535843 /nfs/dbraw/zinc/53/58/43/455535843.db2.gz GPOWWJIREVWKKI-OAHLLOKOSA-N 1 2 334.423 3.479 20 70 EGIDLO CCC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161266228 455554199 /nfs/dbraw/zinc/55/41/99/455554199.db2.gz ZZSUYVNRBKWDAB-RBUKOAKNSA-N 1 2 332.488 3.076 20 70 EGIDLO CCC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161266228 455554203 /nfs/dbraw/zinc/55/42/03/455554203.db2.gz ZZSUYVNRBKWDAB-RBUKOAKNSA-N 1 2 332.488 3.076 20 70 EGIDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c(C)n1 ZINC000161326485 455558975 /nfs/dbraw/zinc/55/89/75/455558975.db2.gz SLLDENZNRAAVLR-UHFFFAOYSA-N 1 2 343.858 3.310 20 70 EGIDLO CC[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000161356768 455561803 /nfs/dbraw/zinc/56/18/03/455561803.db2.gz FQYTTYYAGJUVKH-IRXDYDNUSA-N 1 2 327.403 3.109 20 70 EGIDLO CS[C@H](C)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000159523330 534053778 /nfs/dbraw/zinc/05/37/78/534053778.db2.gz LBHRILTTZAUBRN-OAHLLOKOSA-N 1 2 346.500 3.067 20 70 EGIDLO Cc1cccc([C@H](NC(=O)CCCn2cc[nH+]c2)c2ccccn2)c1 ZINC000159858173 546941588 /nfs/dbraw/zinc/94/15/88/546941588.db2.gz HMDUKRMODMOHPR-FQEVSTJZSA-N 1 2 334.423 3.273 20 70 EGIDLO CCc1nnc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000159501226 455381221 /nfs/dbraw/zinc/38/12/21/455381221.db2.gz USQLTRHVSMIIFT-CYBMUJFWSA-N 1 2 334.851 3.312 20 70 EGIDLO CCc1nnc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000159501226 455381223 /nfs/dbraw/zinc/38/12/23/455381223.db2.gz USQLTRHVSMIIFT-CYBMUJFWSA-N 1 2 334.851 3.312 20 70 EGIDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnc2ccccn12 ZINC000159791470 455404613 /nfs/dbraw/zinc/40/46/13/455404613.db2.gz MVNRTCZZGDDNCE-UHFFFAOYSA-N 1 2 340.402 3.323 20 70 EGIDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnc2ccccn12 ZINC000159791470 455404617 /nfs/dbraw/zinc/40/46/17/455404617.db2.gz MVNRTCZZGDDNCE-UHFFFAOYSA-N 1 2 340.402 3.323 20 70 EGIDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000159791283 455404918 /nfs/dbraw/zinc/40/49/18/455404918.db2.gz RPBQTPLGHJFXGM-CQSZACIVSA-N 1 2 330.819 3.444 20 70 EGIDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000160349278 455449428 /nfs/dbraw/zinc/44/94/28/455449428.db2.gz IWJRXTPJJUXORU-QGZVFWFLSA-N 1 2 339.439 3.484 20 70 EGIDLO CCCC[N@H+](Cc1cccn1CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000160796379 455499110 /nfs/dbraw/zinc/49/91/10/455499110.db2.gz JBVYVGLJCSTKNO-SFHVURJKSA-N 1 2 340.533 3.323 20 70 EGIDLO CCCC[N@@H+](Cc1cccn1CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000160796379 455499115 /nfs/dbraw/zinc/49/91/15/455499115.db2.gz JBVYVGLJCSTKNO-SFHVURJKSA-N 1 2 340.533 3.323 20 70 EGIDLO CCc1ccc(/C=C/C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000159725110 455398316 /nfs/dbraw/zinc/39/83/16/455398316.db2.gz UIMVGLCNAXURFW-CMDGGOBGSA-N 1 2 335.407 3.416 20 70 EGIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000160481813 455464785 /nfs/dbraw/zinc/46/47/85/455464785.db2.gz NTRZWSNMSKFNKE-QGZVFWFLSA-N 1 2 329.444 3.288 20 70 EGIDLO CCC(=O)N1CC[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000161181087 455545200 /nfs/dbraw/zinc/54/52/00/455545200.db2.gz ORECDJRYENYUDV-ZDUSSCGKSA-N 1 2 340.427 3.027 20 70 EGIDLO O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161371602 455563732 /nfs/dbraw/zinc/56/37/32/455563732.db2.gz LVHYEJKSYJPUDU-GUDVDZBRSA-N 1 2 337.467 3.363 20 70 EGIDLO Cc1cc(Cl)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159819802 533784738 /nfs/dbraw/zinc/78/47/38/533784738.db2.gz PWFRTVVRILYCPZ-CQSZACIVSA-N 1 2 330.819 3.444 20 70 EGIDLO O=C(Nc1cc(Cl)ccc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160258601 534819983 /nfs/dbraw/zinc/81/99/83/534819983.db2.gz QOATWEPHYWQDOD-GFCCVEGCSA-N 1 2 334.782 3.275 20 70 EGIDLO CCc1nnc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)[nH]1 ZINC000160371471 529740452 /nfs/dbraw/zinc/74/04/52/529740452.db2.gz HHGRRVOUQXUYNX-INIZCTEOSA-N 1 2 340.402 3.416 20 70 EGIDLO Cc1ccc(C(=O)CC[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000160022106 225321718 /nfs/dbraw/zinc/32/17/18/225321718.db2.gz RYENZODNXRUZOO-AWEZNQCLSA-N 1 2 328.378 3.136 20 70 EGIDLO O=C(CCCc1nc(C2CC2)no1)Nc1ccccc1-n1cc[nH+]c1 ZINC000159580943 455387366 /nfs/dbraw/zinc/38/73/66/455387366.db2.gz YLIBUPGQNYBATD-UHFFFAOYSA-N 1 2 337.383 3.094 20 70 EGIDLO CC[N@H+](Cc1cc(F)cc(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159877556 455411275 /nfs/dbraw/zinc/41/12/75/455411275.db2.gz CTLOSKLUURCWFC-UHFFFAOYSA-N 1 2 329.350 3.223 20 70 EGIDLO CC[N@@H+](Cc1cc(F)cc(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159877556 455411279 /nfs/dbraw/zinc/41/12/79/455411279.db2.gz CTLOSKLUURCWFC-UHFFFAOYSA-N 1 2 329.350 3.223 20 70 EGIDLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160092492 455428572 /nfs/dbraw/zinc/42/85/72/455428572.db2.gz DILPXWUIYXQALB-UHFFFAOYSA-N 1 2 348.450 3.138 20 70 EGIDLO CS[C@H](C)CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000160820083 455501624 /nfs/dbraw/zinc/50/16/24/455501624.db2.gz RJVNFZWYZREHTK-NWDGAFQWSA-N 1 2 327.519 3.455 20 70 EGIDLO Cc1cc(C[N@@H+](C)Cc2nncn2C)cc(C)c1OCC(F)(F)F ZINC000160826469 455503205 /nfs/dbraw/zinc/50/32/05/455503205.db2.gz AOMDGNKZSMENMY-UHFFFAOYSA-N 1 2 342.365 3.005 20 70 EGIDLO Cc1cc(C[N@H+](C)Cc2nncn2C)cc(C)c1OCC(F)(F)F ZINC000160826469 455503207 /nfs/dbraw/zinc/50/32/07/455503207.db2.gz AOMDGNKZSMENMY-UHFFFAOYSA-N 1 2 342.365 3.005 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000159689100 455396371 /nfs/dbraw/zinc/39/63/71/455396371.db2.gz WDHDOBCHUDPZHU-UHFFFAOYSA-N 1 2 330.436 3.057 20 70 EGIDLO Cc1ccc(-c2nnc([C@H](C)SCC[NH+]3CCOCC3)o2)cc1 ZINC000159878880 455412686 /nfs/dbraw/zinc/41/26/86/455412686.db2.gz MKGLTQVBKRZERV-AWEZNQCLSA-N 1 2 333.457 3.171 20 70 EGIDLO CC[N@@H+](Cc1ccc(F)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159899601 455413301 /nfs/dbraw/zinc/41/33/01/455413301.db2.gz XRXWPRFSIILCNW-UHFFFAOYSA-N 1 2 325.387 3.393 20 70 EGIDLO CC[N@H+](Cc1ccc(F)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159899601 455413303 /nfs/dbraw/zinc/41/33/03/455413303.db2.gz XRXWPRFSIILCNW-UHFFFAOYSA-N 1 2 325.387 3.393 20 70 EGIDLO c1cc(-c2nc(CSCC[NH+]3CCOCC3)cs2)cs1 ZINC000159996908 455421254 /nfs/dbraw/zinc/42/12/54/455421254.db2.gz LPEIQGAVLXHYOM-UHFFFAOYSA-N 1 2 326.512 3.437 20 70 EGIDLO Cc1ncc(C[NH+]2CCN(C(=O)C3CCC(C)(C)CC3)CC2)s1 ZINC000160238619 455440704 /nfs/dbraw/zinc/44/07/04/455440704.db2.gz XKUALVPPFJOHMT-UHFFFAOYSA-N 1 2 335.517 3.312 20 70 EGIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000160481695 455464641 /nfs/dbraw/zinc/46/46/41/455464641.db2.gz NTRZWSNMSKFNKE-KRWDZBQOSA-N 1 2 329.444 3.288 20 70 EGIDLO CS[C@H](C)CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000160820083 455501618 /nfs/dbraw/zinc/50/16/18/455501618.db2.gz RJVNFZWYZREHTK-NWDGAFQWSA-N 1 2 327.519 3.455 20 70 EGIDLO CCOc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C)c1 ZINC000161107969 455534754 /nfs/dbraw/zinc/53/47/54/455534754.db2.gz GAFMTWXPEBETKA-HNNXBMFYSA-N 1 2 340.427 3.189 20 70 EGIDLO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)c1cccnc1 ZINC000161347406 455560704 /nfs/dbraw/zinc/56/07/04/455560704.db2.gz RZBJRLILBMMUAV-HNNXBMFYSA-N 1 2 343.858 3.183 20 70 EGIDLO COCc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000161476554 455573511 /nfs/dbraw/zinc/57/35/11/455573511.db2.gz FLNKAUSYQSJVDP-OAHLLOKOSA-N 1 2 342.443 3.053 20 70 EGIDLO COCCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000217132297 456031629 /nfs/dbraw/zinc/03/16/29/456031629.db2.gz YKQMLZGAJXPYMG-UHFFFAOYSA-N 1 2 334.847 3.364 20 70 EGIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159567193 528563938 /nfs/dbraw/zinc/56/39/38/528563938.db2.gz AEYSAMCCTWSMQA-OAHLLOKOSA-N 1 2 347.459 3.004 20 70 EGIDLO Cc1cccnc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159665584 225257086 /nfs/dbraw/zinc/25/70/86/225257086.db2.gz PAFRMVFAMNADPW-OAHLLOKOSA-N 1 2 344.484 3.040 20 70 EGIDLO Clc1ccc(OCc2nc(SCCn3cc[nH+]c3)n[nH]2)cc1 ZINC000159697129 307877827 /nfs/dbraw/zinc/87/78/27/307877827.db2.gz SETDAXWNOPWLQS-UHFFFAOYSA-N 1 2 335.820 3.026 20 70 EGIDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159797326 455404717 /nfs/dbraw/zinc/40/47/17/455404717.db2.gz JPSZPCQNOBJWCZ-GOSISDBHSA-N 1 2 339.439 3.483 20 70 EGIDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159797326 455404720 /nfs/dbraw/zinc/40/47/20/455404720.db2.gz JPSZPCQNOBJWCZ-GOSISDBHSA-N 1 2 339.439 3.483 20 70 EGIDLO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccccc2Cl)c1C ZINC000160819416 455502070 /nfs/dbraw/zinc/50/20/70/455502070.db2.gz IDKRJAFJTXMQDO-UHFFFAOYSA-N 1 2 349.862 3.348 20 70 EGIDLO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2Cl)c1C ZINC000160819416 455502075 /nfs/dbraw/zinc/50/20/75/455502075.db2.gz IDKRJAFJTXMQDO-UHFFFAOYSA-N 1 2 349.862 3.348 20 70 EGIDLO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000160818502 455502276 /nfs/dbraw/zinc/50/22/76/455502276.db2.gz ZUKSZVVFZDONKV-HNNXBMFYSA-N 1 2 349.471 3.063 20 70 EGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ccccc1Cl ZINC000160141093 455431767 /nfs/dbraw/zinc/43/17/67/455431767.db2.gz LUEJDDWXYNJILW-BBRMVZONSA-N 1 2 329.831 3.463 20 70 EGIDLO Cc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1OCCC(C)C ZINC000160453912 455461371 /nfs/dbraw/zinc/46/13/71/455461371.db2.gz JOBBSGSUZBKSPF-UHFFFAOYSA-N 1 2 330.432 3.438 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(Br)cc2)n1 ZINC000160525586 455469501 /nfs/dbraw/zinc/46/95/01/455469501.db2.gz UCZIMZQGPAUGCD-UHFFFAOYSA-N 1 2 336.233 3.139 20 70 EGIDLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccsc1 ZINC000160690695 455489143 /nfs/dbraw/zinc/48/91/43/455489143.db2.gz XRGJPKORSAMXMS-HUUCEWRRSA-N 1 2 329.469 3.152 20 70 EGIDLO CCN(CC)c1ccc(CNC(=O)c2c(F)cc(F)cc2F)c[nH+]1 ZINC000160751137 455495339 /nfs/dbraw/zinc/49/53/39/455495339.db2.gz DVXHMMMEKASZQR-UHFFFAOYSA-N 1 2 337.345 3.275 20 70 EGIDLO O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161168058 455542957 /nfs/dbraw/zinc/54/29/57/455542957.db2.gz VBXPQIAJVLPRFJ-AWEZNQCLSA-N 1 2 343.858 3.337 20 70 EGIDLO Cc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161309865 455558102 /nfs/dbraw/zinc/55/81/02/455558102.db2.gz DXVACKNIWKKWIT-UHFFFAOYSA-N 1 2 329.831 3.001 20 70 EGIDLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159593441 307876358 /nfs/dbraw/zinc/87/63/58/307876358.db2.gz UGQOTRBZQIXUEM-VQBCORBOSA-N 1 2 327.472 3.120 20 70 EGIDLO CCCC[N@H+](Cc1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160756341 455496345 /nfs/dbraw/zinc/49/63/45/455496345.db2.gz ASTADIKLYKWUKX-ZDUSSCGKSA-N 1 2 330.519 3.056 20 70 EGIDLO CCCC[N@@H+](Cc1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160756341 455496349 /nfs/dbraw/zinc/49/63/49/455496349.db2.gz ASTADIKLYKWUKX-ZDUSSCGKSA-N 1 2 330.519 3.056 20 70 EGIDLO C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000159493315 455379980 /nfs/dbraw/zinc/37/99/80/455379980.db2.gz CWLCYVMLYANXTJ-CYBMUJFWSA-N 1 2 327.815 3.483 20 70 EGIDLO COc1cc(F)ccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159536978 455383013 /nfs/dbraw/zinc/38/30/13/455383013.db2.gz QVWQFXZWQYWKFK-CYBMUJFWSA-N 1 2 346.406 3.054 20 70 EGIDLO CC(C)N(C)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000160145343 455433393 /nfs/dbraw/zinc/43/33/93/455433393.db2.gz FQRKSJTZEBPGLC-ZDUSSCGKSA-N 1 2 330.407 3.068 20 70 EGIDLO COc1cc[nH+]cc1NC(=O)c1nn(-c2ccccc2Cl)cc1C ZINC000160451625 455460395 /nfs/dbraw/zinc/46/03/95/455460395.db2.gz QMHUEOMBKPQGGM-UHFFFAOYSA-N 1 2 342.786 3.490 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160949301 455516710 /nfs/dbraw/zinc/51/67/10/455516710.db2.gz IUVWCJCZMPEDGQ-CVEARBPZSA-N 1 2 341.480 3.472 20 70 EGIDLO CCCNC(=O)C1([NH2+]Cc2noc(-c3ccsc3)n2)CCCCC1 ZINC000161109078 455535063 /nfs/dbraw/zinc/53/50/63/455535063.db2.gz TZCOIJZHILIWTM-UHFFFAOYSA-N 1 2 348.472 3.117 20 70 EGIDLO CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161124527 455537159 /nfs/dbraw/zinc/53/71/59/455537159.db2.gz WAJQXYXPRVMCTL-GDBMZVCRSA-N 1 2 327.428 3.112 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000161186202 455545392 /nfs/dbraw/zinc/54/53/92/455545392.db2.gz GLFSWIYNMGIYTQ-AWEZNQCLSA-N 1 2 325.412 3.133 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000161186202 455545395 /nfs/dbraw/zinc/54/53/95/455545395.db2.gz GLFSWIYNMGIYTQ-AWEZNQCLSA-N 1 2 325.412 3.133 20 70 EGIDLO CCC(=O)N1CC[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000161181207 455546095 /nfs/dbraw/zinc/54/60/95/455546095.db2.gz ORECDJRYENYUDV-CYBMUJFWSA-N 1 2 340.427 3.027 20 70 EGIDLO CC[C@@H](SC)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000161303443 455557750 /nfs/dbraw/zinc/55/77/50/455557750.db2.gz QRQDVEFYRNXZSD-OAHLLOKOSA-N 1 2 333.457 3.383 20 70 EGIDLO CC(C)[C@H]([NH2+]Cc1nnsc1Cl)c1ccc2c(c1)OCCO2 ZINC000161482988 455573732 /nfs/dbraw/zinc/57/37/32/455573732.db2.gz BFRVGZOFAVJJQV-AWEZNQCLSA-N 1 2 339.848 3.450 20 70 EGIDLO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000160159516 528128539 /nfs/dbraw/zinc/12/85/39/528128539.db2.gz LOVPWXTYLFHEIM-ZWKOTPCHSA-N 1 2 345.531 3.056 20 70 EGIDLO CC(C)C[C@@H](C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000159519105 528264354 /nfs/dbraw/zinc/26/43/54/528264354.db2.gz VKNSBHMFDMFZSV-MRXNPFEDSA-N 1 2 328.460 3.360 20 70 EGIDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161241977 546954992 /nfs/dbraw/zinc/95/49/92/546954992.db2.gz GXTBJOPLYHOENF-GFCCVEGCSA-N 1 2 326.487 3.114 20 70 EGIDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCCS(C)(=O)=O ZINC000161241977 546954995 /nfs/dbraw/zinc/95/49/95/546954995.db2.gz GXTBJOPLYHOENF-GFCCVEGCSA-N 1 2 326.487 3.114 20 70 EGIDLO CCSc1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218082727 547240485 /nfs/dbraw/zinc/24/04/85/547240485.db2.gz XXIBYZCTFXTWJC-AWEZNQCLSA-N 1 2 327.453 3.202 20 70 EGIDLO COC(=O)c1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160919361 292023723 /nfs/dbraw/zinc/02/37/23/292023723.db2.gz MEMRNPXYZNWATJ-UHFFFAOYSA-N 1 2 340.423 3.161 20 70 EGIDLO COC(=O)c1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160919361 292023725 /nfs/dbraw/zinc/02/37/25/292023725.db2.gz MEMRNPXYZNWATJ-UHFFFAOYSA-N 1 2 340.423 3.161 20 70 EGIDLO c1csc(-c2nc(CSCC[NH+]3CCOCC3)cs2)c1 ZINC000159795330 225280179 /nfs/dbraw/zinc/28/01/79/225280179.db2.gz SWKNHHDKQNHLNL-UHFFFAOYSA-N 1 2 326.512 3.437 20 70 EGIDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000159849596 225289356 /nfs/dbraw/zinc/28/93/56/225289356.db2.gz WGZQKPKXNOYPCT-ZDUSSCGKSA-N 1 2 330.819 3.444 20 70 EGIDLO Cc1ccc(NC(=O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000159672300 455394431 /nfs/dbraw/zinc/39/44/31/455394431.db2.gz HSCRIYHTARXGQT-OAQYLSRUSA-N 1 2 336.435 3.107 20 70 EGIDLO Cc1ccc(NC(=O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000159672300 455394435 /nfs/dbraw/zinc/39/44/35/455394435.db2.gz HSCRIYHTARXGQT-OAQYLSRUSA-N 1 2 336.435 3.107 20 70 EGIDLO CCCCn1ncc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C ZINC000160171084 455433812 /nfs/dbraw/zinc/43/38/12/455433812.db2.gz IDYRYVGUAAWCEY-LJQANCHMSA-N 1 2 340.471 3.121 20 70 EGIDLO CCCCn1ncc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1C ZINC000160171084 455433817 /nfs/dbraw/zinc/43/38/17/455433817.db2.gz IDYRYVGUAAWCEY-LJQANCHMSA-N 1 2 340.471 3.121 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)ccc2F)n1 ZINC000160168949 455434332 /nfs/dbraw/zinc/43/43/32/455434332.db2.gz KUACTAXGRIRDJP-QGZVFWFLSA-N 1 2 331.366 3.444 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(F)ccc2F)n1 ZINC000160168949 455434334 /nfs/dbraw/zinc/43/43/34/455434334.db2.gz KUACTAXGRIRDJP-QGZVFWFLSA-N 1 2 331.366 3.444 20 70 EGIDLO C[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1Br ZINC000160385532 455452923 /nfs/dbraw/zinc/45/29/23/455452923.db2.gz HDHRXFSZEAMSST-UHFFFAOYSA-N 1 2 339.258 3.242 20 70 EGIDLO C[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1Br ZINC000160385532 455452928 /nfs/dbraw/zinc/45/29/28/455452928.db2.gz HDHRXFSZEAMSST-UHFFFAOYSA-N 1 2 339.258 3.242 20 70 EGIDLO CCOC(=O)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000160429140 455458323 /nfs/dbraw/zinc/45/83/23/455458323.db2.gz COUSSTLVQBAIML-UHFFFAOYSA-N 1 2 327.424 3.024 20 70 EGIDLO CCOC(=O)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000160429140 455458327 /nfs/dbraw/zinc/45/83/27/455458327.db2.gz COUSSTLVQBAIML-UHFFFAOYSA-N 1 2 327.424 3.024 20 70 EGIDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000159572826 455386578 /nfs/dbraw/zinc/38/65/78/455386578.db2.gz JUKXCVJUQCRCFG-GOSISDBHSA-N 1 2 339.439 3.153 20 70 EGIDLO Cc1nc(C[N@@H+]2CCCC[C@H]2C(N)=O)oc1-c1ccc(Cl)cc1 ZINC000160538437 455471573 /nfs/dbraw/zinc/47/15/73/455471573.db2.gz DQTBTFSXRVQOLZ-AWEZNQCLSA-N 1 2 333.819 3.143 20 70 EGIDLO Cc1nc(C[N@H+]2CCCC[C@H]2C(N)=O)oc1-c1ccc(Cl)cc1 ZINC000160538437 455471576 /nfs/dbraw/zinc/47/15/76/455471576.db2.gz DQTBTFSXRVQOLZ-AWEZNQCLSA-N 1 2 333.819 3.143 20 70 EGIDLO CCOCCC1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CCC1 ZINC000160782597 455497471 /nfs/dbraw/zinc/49/74/71/455497471.db2.gz NXVQNKLKQPXQCI-UHFFFAOYSA-N 1 2 329.444 3.058 20 70 EGIDLO CCOCCC1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000161026465 455524795 /nfs/dbraw/zinc/52/47/95/455524795.db2.gz LZXNGTDSHWRHLI-UHFFFAOYSA-N 1 2 327.428 3.199 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000161075172 455530072 /nfs/dbraw/zinc/53/00/72/455530072.db2.gz FKGLJXROAZRDBZ-UHFFFAOYSA-N 1 2 331.807 3.146 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000161075172 455530076 /nfs/dbraw/zinc/53/00/76/455530076.db2.gz FKGLJXROAZRDBZ-UHFFFAOYSA-N 1 2 331.807 3.146 20 70 EGIDLO Cc1ncccc1C[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000161179492 455543976 /nfs/dbraw/zinc/54/39/76/455543976.db2.gz RNVWWKLXWDBKLV-UHFFFAOYSA-N 1 2 348.244 3.223 20 70 EGIDLO Cc1ncccc1C[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000161179492 455543979 /nfs/dbraw/zinc/54/39/79/455543979.db2.gz RNVWWKLXWDBKLV-UHFFFAOYSA-N 1 2 348.244 3.223 20 70 EGIDLO CC[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000161356651 455562262 /nfs/dbraw/zinc/56/22/62/455562262.db2.gz FQYTTYYAGJUVKH-IAGOWNOFSA-N 1 2 327.403 3.109 20 70 EGIDLO CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161398451 455567247 /nfs/dbraw/zinc/56/72/47/455567247.db2.gz CIZJKWCODCUIEX-DZGCQCFKSA-N 1 2 329.469 3.435 20 70 EGIDLO CC(C)c1nc(N(C)C)nc(NC[C@](C)(O)c2ccccc2Cl)[nH+]1 ZINC000160184280 528293956 /nfs/dbraw/zinc/29/39/56/528293956.db2.gz LTTFWJBDAVSHLQ-KRWDZBQOSA-N 1 2 349.866 3.034 20 70 EGIDLO CC(C)c1nc(NC[C@](C)(O)c2ccccc2Cl)nc(N(C)C)[nH+]1 ZINC000160184280 528293963 /nfs/dbraw/zinc/29/39/63/528293963.db2.gz LTTFWJBDAVSHLQ-KRWDZBQOSA-N 1 2 349.866 3.034 20 70 EGIDLO CC1(C(=O)Nc2ccc3nn[nH]c3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000159432263 528859696 /nfs/dbraw/zinc/85/96/96/528859696.db2.gz IKVLKLYVJXIBFZ-UHFFFAOYSA-N 1 2 349.438 3.199 20 70 EGIDLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccncc1 ZINC000160098851 546943483 /nfs/dbraw/zinc/94/34/83/546943483.db2.gz NEOVEECSJXKUDL-MRXNPFEDSA-N 1 2 338.455 3.277 20 70 EGIDLO CCSc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218082649 547240580 /nfs/dbraw/zinc/24/05/80/547240580.db2.gz XXIBYZCTFXTWJC-CQSZACIVSA-N 1 2 327.453 3.202 20 70 EGIDLO COC[C@H](NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000160300747 533066203 /nfs/dbraw/zinc/06/62/03/533066203.db2.gz NNVHMMPRVIDUTO-KRWDZBQOSA-N 1 2 327.384 3.420 20 70 EGIDLO O=C(NCCn1cc[nH+]c1)Nc1ccc(Br)c(Cl)c1 ZINC000161363113 307901894 /nfs/dbraw/zinc/90/18/94/307901894.db2.gz CGAGFQGXDJNBTD-UHFFFAOYSA-N 1 2 343.612 3.121 20 70 EGIDLO C[C@@H](CCn1cccn1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159429545 533700359 /nfs/dbraw/zinc/70/03/59/533700359.db2.gz JJRCBNDEEGWNOM-INIZCTEOSA-N 1 2 325.416 3.049 20 70 EGIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 ZINC000159375554 455373004 /nfs/dbraw/zinc/37/30/04/455373004.db2.gz JEDYLKWGSPJFBH-GDBMZVCRSA-N 1 2 343.496 3.383 20 70 EGIDLO O=C(COC/C=C/c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000159659603 455393968 /nfs/dbraw/zinc/39/39/68/455393968.db2.gz GJBYGMGINOUALQ-RMKNXTFCSA-N 1 2 347.418 3.219 20 70 EGIDLO O=C(Nc1ccc(Cl)c(F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160907693 455512004 /nfs/dbraw/zinc/51/20/04/455512004.db2.gz YJVLSSVPCOFRKZ-LBPRGKRZSA-N 1 2 334.782 3.275 20 70 EGIDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1cnn(C)c1 ZINC000161080663 455531190 /nfs/dbraw/zinc/53/11/90/455531190.db2.gz GHJLHNNHHTYBFV-UHFFFAOYSA-N 1 2 328.460 3.313 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1cnn(C)c1 ZINC000161080663 455531193 /nfs/dbraw/zinc/53/11/93/455531193.db2.gz GHJLHNNHHTYBFV-UHFFFAOYSA-N 1 2 328.460 3.313 20 70 EGIDLO O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161167963 152773063 /nfs/dbraw/zinc/77/30/63/152773063.db2.gz VBXPQIAJVLPRFJ-CQSZACIVSA-N 1 2 343.858 3.337 20 70 EGIDLO Cc1cc(NC(=O)CCSc2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000159925096 225303474 /nfs/dbraw/zinc/30/34/74/225303474.db2.gz XCEHELUMHOAHEZ-UHFFFAOYSA-N 1 2 330.409 3.282 20 70 EGIDLO Cc1cccnc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159665466 225256043 /nfs/dbraw/zinc/25/60/43/225256043.db2.gz PAFRMVFAMNADPW-HNNXBMFYSA-N 1 2 344.484 3.040 20 70 EGIDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000160905560 455511692 /nfs/dbraw/zinc/51/16/92/455511692.db2.gz MKLXPMSSCMWUFC-UHFFFAOYSA-N 1 2 327.215 3.095 20 70 EGIDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000160905560 455511697 /nfs/dbraw/zinc/51/16/97/455511697.db2.gz MKLXPMSSCMWUFC-UHFFFAOYSA-N 1 2 327.215 3.095 20 70 EGIDLO CC(C)c1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159796086 307880147 /nfs/dbraw/zinc/88/01/47/307880147.db2.gz JPONJUFPDXRYSH-UHFFFAOYSA-N 1 2 347.484 3.425 20 70 EGIDLO COc1ccc(C[N@H+](C)Cc2cnc3cc(C)ccn23)c(OC)c1 ZINC000160832568 455503604 /nfs/dbraw/zinc/50/36/04/455503604.db2.gz SWFMPBCQYARAJO-UHFFFAOYSA-N 1 2 325.412 3.292 20 70 EGIDLO COc1ccc(C[N@@H+](C)Cc2cnc3cc(C)ccn23)c(OC)c1 ZINC000160832568 455503609 /nfs/dbraw/zinc/50/36/09/455503609.db2.gz SWFMPBCQYARAJO-UHFFFAOYSA-N 1 2 325.412 3.292 20 70 EGIDLO CN(C)C(=O)Nc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000159392900 455374115 /nfs/dbraw/zinc/37/41/15/455374115.db2.gz FBJZDJDGOAJSIU-UHFFFAOYSA-N 1 2 349.394 3.218 20 70 EGIDLO Cc1cc(C)cc(CCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000159480380 455379031 /nfs/dbraw/zinc/37/90/31/455379031.db2.gz BCYCVVNTAMJQLM-IBGZPJMESA-N 1 2 339.483 3.451 20 70 EGIDLO Cc1ccc(C(=O)CC[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000159692457 455396619 /nfs/dbraw/zinc/39/66/19/455396619.db2.gz GNVSHZHZYCDUTG-UHFFFAOYSA-N 1 2 346.368 3.086 20 70 EGIDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1=Cc2ccccc2OC1 ZINC000159897417 455413653 /nfs/dbraw/zinc/41/36/53/455413653.db2.gz PCCOODQFNQLHKL-UHFFFAOYSA-N 1 2 347.418 3.221 20 70 EGIDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1=Cc2ccccc2OC1 ZINC000159897417 455413655 /nfs/dbraw/zinc/41/36/55/455413655.db2.gz PCCOODQFNQLHKL-UHFFFAOYSA-N 1 2 347.418 3.221 20 70 EGIDLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233924 455440798 /nfs/dbraw/zinc/44/07/98/455440798.db2.gz JJJLUPOYXOXTQZ-CYBMUJFWSA-N 1 2 349.818 3.133 20 70 EGIDLO CCOC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233924 455440801 /nfs/dbraw/zinc/44/08/01/455440801.db2.gz JJJLUPOYXOXTQZ-CYBMUJFWSA-N 1 2 349.818 3.133 20 70 EGIDLO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000160887232 455509103 /nfs/dbraw/zinc/50/91/03/455509103.db2.gz SKWNXWUPYXLTEK-YOEHRIQHSA-N 1 2 342.443 3.015 20 70 EGIDLO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000160887232 455509104 /nfs/dbraw/zinc/50/91/04/455509104.db2.gz SKWNXWUPYXLTEK-YOEHRIQHSA-N 1 2 342.443 3.015 20 70 EGIDLO CCOc1ccccc1[C@H](CC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161124648 455537497 /nfs/dbraw/zinc/53/74/97/455537497.db2.gz WAJQXYXPRVMCTL-HOCLYGCPSA-N 1 2 327.428 3.112 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000161142921 455539106 /nfs/dbraw/zinc/53/91/06/455539106.db2.gz PYVOIHLVPCIZBG-UHFFFAOYSA-N 1 2 330.350 3.487 20 70 EGIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C ZINC000161250813 455551943 /nfs/dbraw/zinc/55/19/43/455551943.db2.gz RZWVTLQUOYJEKT-SFHVURJKSA-N 1 2 327.428 3.098 20 70 EGIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1C ZINC000161250813 455551947 /nfs/dbraw/zinc/55/19/47/455551947.db2.gz RZWVTLQUOYJEKT-SFHVURJKSA-N 1 2 327.428 3.098 20 70 EGIDLO CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3[nH]c4ccccc4[nH+]3)C2)C1 ZINC000160018502 526424385 /nfs/dbraw/zinc/42/43/85/526424385.db2.gz XXTWJRPROFGYQK-IBGZPJMESA-N 1 2 342.443 3.400 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000160112592 529107387 /nfs/dbraw/zinc/10/73/87/529107387.db2.gz GGKSELYAQOKTLB-PBHICJAKSA-N 1 2 344.463 3.303 20 70 EGIDLO O=C(NCCc1cc2ccccc2[nH]1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000159636639 546940418 /nfs/dbraw/zinc/94/04/18/546940418.db2.gz RVTLRFCEOIRSMO-UHFFFAOYSA-N 1 2 344.418 3.385 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)n1 ZINC000159787363 302027176 /nfs/dbraw/zinc/02/71/76/302027176.db2.gz MVNRKMLFMBJQDZ-SFHVURJKSA-N 1 2 348.454 3.320 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)n1 ZINC000159787363 302027179 /nfs/dbraw/zinc/02/71/79/302027179.db2.gz MVNRKMLFMBJQDZ-SFHVURJKSA-N 1 2 348.454 3.320 20 70 EGIDLO CCCCn1ncc(NC(=O)NCCc2cn3ccccc3[nH+]2)c1C ZINC000159828609 307880327 /nfs/dbraw/zinc/88/03/27/307880327.db2.gz WYNTYWYZLIGSCS-UHFFFAOYSA-N 1 2 340.431 3.004 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000160659870 455484716 /nfs/dbraw/zinc/48/47/16/455484716.db2.gz WSKCVBJOXYCJKS-UHFFFAOYSA-N 1 2 337.407 3.351 20 70 EGIDLO CC(C)[C@H](Cc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159553606 455385312 /nfs/dbraw/zinc/38/53/12/455385312.db2.gz UOKBKJBAXLBWNG-IBGZPJMESA-N 1 2 339.483 3.393 20 70 EGIDLO CCCCc1[nH]c2ccc(NC(=O)c3cnc4c(c3)ncn4C)cc2[nH+]1 ZINC000159655944 455393470 /nfs/dbraw/zinc/39/34/70/455393470.db2.gz QAIKOTNJXUECGR-UHFFFAOYSA-N 1 2 348.410 3.440 20 70 EGIDLO CSc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160439635 455459293 /nfs/dbraw/zinc/45/92/93/455459293.db2.gz LPIBFPRZZGSOSD-AWEZNQCLSA-N 1 2 328.441 3.204 20 70 EGIDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(OC)OC ZINC000160462235 455462556 /nfs/dbraw/zinc/46/25/56/455462556.db2.gz IGPPFKRBLONWCC-UHFFFAOYSA-N 1 2 349.258 3.263 20 70 EGIDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(OC)OC ZINC000160462235 455462560 /nfs/dbraw/zinc/46/25/60/455462560.db2.gz IGPPFKRBLONWCC-UHFFFAOYSA-N 1 2 349.258 3.263 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000160659870 455484711 /nfs/dbraw/zinc/48/47/11/455484711.db2.gz WSKCVBJOXYCJKS-UHFFFAOYSA-N 1 2 337.407 3.351 20 70 EGIDLO O=C(NCC1(C2CC2)CCC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161384000 455565129 /nfs/dbraw/zinc/56/51/29/455565129.db2.gz NHSUSCFTRRLKOP-UHFFFAOYSA-N 1 2 343.471 3.221 20 70 EGIDLO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161473083 455572990 /nfs/dbraw/zinc/57/29/90/455572990.db2.gz FJHPQJPYQOJELB-GDBMZVCRSA-N 1 2 343.858 3.309 20 70 EGIDLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000160372144 528690861 /nfs/dbraw/zinc/69/08/61/528690861.db2.gz YEFGJGBYRWJVNL-ZDUSSCGKSA-N 1 2 332.448 3.405 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1C ZINC000160268639 529106230 /nfs/dbraw/zinc/10/62/30/529106230.db2.gz BIJKRTDYCSZJIE-OAHLLOKOSA-N 1 2 330.436 3.474 20 70 EGIDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC2(CCC2)C1 ZINC000159850146 225289769 /nfs/dbraw/zinc/28/97/69/225289769.db2.gz AOKJJHHTFACGOS-UHFFFAOYSA-N 1 2 328.460 3.158 20 70 EGIDLO C[C@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@H]1C ZINC000160033616 225323599 /nfs/dbraw/zinc/32/35/99/225323599.db2.gz YFWSCGPTVKAISK-VBQJREDUSA-N 1 2 344.434 3.336 20 70 EGIDLO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc[nH+]cc1O ZINC000160755703 307894319 /nfs/dbraw/zinc/89/43/19/307894319.db2.gz ADMMABYNAUSTQD-UHFFFAOYSA-N 1 2 344.758 3.062 20 70 EGIDLO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)OC(C)(C)C ZINC000160815578 455501684 /nfs/dbraw/zinc/50/16/84/455501684.db2.gz OHXFGKPEIPLCCT-AWEZNQCLSA-N 1 2 337.435 3.194 20 70 EGIDLO Cc1[nH]ncc1C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000159884986 455412721 /nfs/dbraw/zinc/41/27/21/455412721.db2.gz DCSAMZCHQACJMB-UHFFFAOYSA-N 1 2 338.386 3.399 20 70 EGIDLO CCCn1c(C)nnc1C[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000160116669 455429604 /nfs/dbraw/zinc/42/96/04/455429604.db2.gz YIWBRPMKJMIGFM-UHFFFAOYSA-N 1 2 343.475 3.082 20 70 EGIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1cccc(F)c1 ZINC000160471891 455463983 /nfs/dbraw/zinc/46/39/83/455463983.db2.gz IYRJIHYMSLGYNU-UHFFFAOYSA-N 1 2 345.340 3.441 20 70 EGIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160471891 455463986 /nfs/dbraw/zinc/46/39/86/455463986.db2.gz IYRJIHYMSLGYNU-UHFFFAOYSA-N 1 2 345.340 3.441 20 70 EGIDLO CC[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000161088300 455531451 /nfs/dbraw/zinc/53/14/51/455531451.db2.gz MFFXSKNKMYKNRN-QZTJIDSGSA-N 1 2 328.387 3.394 20 70 EGIDLO Cc1ccc(C(=O)CC[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000161284743 455555668 /nfs/dbraw/zinc/55/56/68/455555668.db2.gz RIGALINWVRGCGT-CQSZACIVSA-N 1 2 328.378 3.136 20 70 EGIDLO Cc1ccc(C(=O)CC[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000161284743 455555670 /nfs/dbraw/zinc/55/56/70/455555670.db2.gz RIGALINWVRGCGT-CQSZACIVSA-N 1 2 328.378 3.136 20 70 EGIDLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)nc2)nnn1-c1ccc(F)cc1 ZINC000161298622 455556653 /nfs/dbraw/zinc/55/66/53/455556653.db2.gz NDAFWZYTLVVUNV-CYBMUJFWSA-N 1 2 325.391 3.269 20 70 EGIDLO COc1c(Cl)cccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161342765 455561502 /nfs/dbraw/zinc/56/15/02/455561502.db2.gz SBURKFWHVUZHQC-LBPRGKRZSA-N 1 2 346.818 3.144 20 70 EGIDLO O=C(Nc1ccc(Oc2ccccc2)cn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161388374 455565890 /nfs/dbraw/zinc/56/58/90/455565890.db2.gz NWXGKLGYXQBATM-AWEZNQCLSA-N 1 2 334.379 3.272 20 70 EGIDLO CS[C@@H](C)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000159523210 533915011 /nfs/dbraw/zinc/91/50/11/533915011.db2.gz LBHRILTTZAUBRN-HNNXBMFYSA-N 1 2 346.500 3.067 20 70 EGIDLO C[C@@]1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCS1 ZINC000159850953 534266299 /nfs/dbraw/zinc/26/62/99/534266299.db2.gz JHCWRJQEDOLGEG-SFHVURJKSA-N 1 2 348.516 3.157 20 70 EGIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159567325 528563489 /nfs/dbraw/zinc/56/34/89/528563489.db2.gz AEYSAMCCTWSMQA-HNNXBMFYSA-N 1 2 347.459 3.004 20 70 EGIDLO Cn1ncc2c1nc[nH+]c2SCc1noc(C2CCCCC2)n1 ZINC000159539447 225236944 /nfs/dbraw/zinc/23/69/44/225236944.db2.gz RYWLMWFNMATWKH-UHFFFAOYSA-N 1 2 330.417 3.086 20 70 EGIDLO CC1(C)CCC[C@H](CC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160934715 307896372 /nfs/dbraw/zinc/89/63/72/307896372.db2.gz JEWWMCOAKYEFDT-QGZVFWFLSA-N 1 2 329.488 3.332 20 70 EGIDLO COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159796680 455405047 /nfs/dbraw/zinc/40/50/47/455405047.db2.gz OEHHDOZACKIVRM-UHFFFAOYSA-N 1 2 331.243 3.089 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C(C)(C)C)no2)n1 ZINC000159978167 455420595 /nfs/dbraw/zinc/42/05/95/455420595.db2.gz WHHRYMTYUZMBBZ-OAHLLOKOSA-N 1 2 342.443 3.451 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C(C)(C)C)no2)n1 ZINC000159978167 455420600 /nfs/dbraw/zinc/42/06/00/455420600.db2.gz WHHRYMTYUZMBBZ-OAHLLOKOSA-N 1 2 342.443 3.451 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000160659991 455484875 /nfs/dbraw/zinc/48/48/75/455484875.db2.gz KCYHIFIKLQXVHZ-UHFFFAOYSA-N 1 2 325.334 3.395 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000160659991 455484878 /nfs/dbraw/zinc/48/48/78/455484878.db2.gz KCYHIFIKLQXVHZ-UHFFFAOYSA-N 1 2 325.334 3.395 20 70 EGIDLO Cn1c2ccccc2nc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159636176 455391575 /nfs/dbraw/zinc/39/15/75/455391575.db2.gz RTXOUJVKWHFWAB-OAQYLSRUSA-N 1 2 333.435 3.247 20 70 EGIDLO Cn1c2ccccc2nc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159636176 455391580 /nfs/dbraw/zinc/39/15/80/455391580.db2.gz RTXOUJVKWHFWAB-OAQYLSRUSA-N 1 2 333.435 3.247 20 70 EGIDLO CC[C@H](C)OCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000160519131 455468602 /nfs/dbraw/zinc/46/86/02/455468602.db2.gz HHHGNVWFANYLOA-ZDUSSCGKSA-N 1 2 325.478 3.129 20 70 EGIDLO COc1ccc(Br)c(CC(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000160557268 455473676 /nfs/dbraw/zinc/47/36/76/455473676.db2.gz MUWRKHPYFAAZAD-UHFFFAOYSA-N 1 2 335.201 3.342 20 70 EGIDLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](CC)Cc2ccccn2)cc1 ZINC000161046727 455527173 /nfs/dbraw/zinc/52/71/73/455527173.db2.gz UTEPMVBEYKNPLH-OAHLLOKOSA-N 1 2 327.428 3.329 20 70 EGIDLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](CC)Cc2ccccn2)cc1 ZINC000161046727 455527177 /nfs/dbraw/zinc/52/71/77/455527177.db2.gz UTEPMVBEYKNPLH-OAHLLOKOSA-N 1 2 327.428 3.329 20 70 EGIDLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(CO)o1 ZINC000161453429 455572404 /nfs/dbraw/zinc/57/24/04/455572404.db2.gz VYHUUYIOYLQREC-UHFFFAOYSA-N 1 2 343.210 3.149 20 70 EGIDLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(CO)o1 ZINC000161453429 455572408 /nfs/dbraw/zinc/57/24/08/455572408.db2.gz VYHUUYIOYLQREC-UHFFFAOYSA-N 1 2 343.210 3.149 20 70 EGIDLO CC[N@H+](CCCNC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161471847 455572955 /nfs/dbraw/zinc/57/29/55/455572955.db2.gz MYAWHUKSNDTBFD-INIZCTEOSA-N 1 2 333.476 3.160 20 70 EGIDLO CC[N@@H+](CCCNC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161471847 455572960 /nfs/dbraw/zinc/57/29/60/455572960.db2.gz MYAWHUKSNDTBFD-INIZCTEOSA-N 1 2 333.476 3.160 20 70 EGIDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159811934 527361553 /nfs/dbraw/zinc/36/15/53/527361553.db2.gz GSRYWDGMXQCEQO-UHFFFAOYSA-N 1 2 339.439 3.026 20 70 EGIDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159811934 527361562 /nfs/dbraw/zinc/36/15/62/527361562.db2.gz GSRYWDGMXQCEQO-UHFFFAOYSA-N 1 2 339.439 3.026 20 70 EGIDLO C[N@@H+]1CCN(c2ncccc2Br)[C@@H](c2ccccc2)C1 ZINC000217989824 547240499 /nfs/dbraw/zinc/24/04/99/547240499.db2.gz MLBDJHKRJFHBGQ-OAHLLOKOSA-N 1 2 332.245 3.337 20 70 EGIDLO C[N@H+]1CCN(c2ncccc2Br)[C@@H](c2ccccc2)C1 ZINC000217989824 547240502 /nfs/dbraw/zinc/24/05/02/547240502.db2.gz MLBDJHKRJFHBGQ-OAHLLOKOSA-N 1 2 332.245 3.337 20 70 EGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000159844061 529788825 /nfs/dbraw/zinc/78/88/25/529788825.db2.gz GKIUDJBJQDFLEW-UHFFFAOYSA-N 1 2 328.441 3.496 20 70 EGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000159844061 529788827 /nfs/dbraw/zinc/78/88/27/529788827.db2.gz GKIUDJBJQDFLEW-UHFFFAOYSA-N 1 2 328.441 3.496 20 70 EGIDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000160349422 140959472 /nfs/dbraw/zinc/95/94/72/140959472.db2.gz IWJRXTPJJUXORU-KRWDZBQOSA-N 1 2 339.439 3.484 20 70 EGIDLO Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000160446640 307890085 /nfs/dbraw/zinc/89/00/85/307890085.db2.gz LVQOQSHYBQNEMD-UHFFFAOYSA-N 1 2 333.395 3.165 20 70 EGIDLO CCCC[N@H+](Cc1cccc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160788588 455499314 /nfs/dbraw/zinc/49/93/14/455499314.db2.gz BSAKHBMNBPQFGP-CYBMUJFWSA-N 1 2 333.856 3.268 20 70 EGIDLO CCCC[N@@H+](Cc1cccc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160788588 455499317 /nfs/dbraw/zinc/49/93/17/455499317.db2.gz BSAKHBMNBPQFGP-CYBMUJFWSA-N 1 2 333.856 3.268 20 70 EGIDLO C[NH+](C)[C@H](CNC(=O)NCC1(C2CC2)CC1)c1c(F)cccc1F ZINC000159913559 455414517 /nfs/dbraw/zinc/41/45/17/455414517.db2.gz UAUPGJXQGJGUIO-OAHLLOKOSA-N 1 2 337.414 3.057 20 70 EGIDLO CC(C)Oc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160797203 455499548 /nfs/dbraw/zinc/49/95/48/455499548.db2.gz ASJUDOSEQJSMKM-OAHLLOKOSA-N 1 2 340.427 3.269 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160949555 455516764 /nfs/dbraw/zinc/51/67/64/455516764.db2.gz IUVWCJCZMPEDGQ-HZPDHXFCSA-N 1 2 341.480 3.472 20 70 EGIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)c1 ZINC000161106827 455534010 /nfs/dbraw/zinc/53/40/10/455534010.db2.gz CLYFENOGEPFTCK-UHFFFAOYSA-N 1 2 344.378 3.125 20 70 EGIDLO CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161120303 455536138 /nfs/dbraw/zinc/53/61/38/455536138.db2.gz VENKECLJGAPSDW-INIZCTEOSA-N 1 2 341.455 3.187 20 70 EGIDLO O[C@H]1CCCC[C@H]1Oc1ccc([NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161122238 455537536 /nfs/dbraw/zinc/53/75/36/455537536.db2.gz SJNXFUXFRIFFPB-RBUKOAKNSA-N 1 2 347.455 3.467 20 70 EGIDLO COC(=O)c1csc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000161144308 455539361 /nfs/dbraw/zinc/53/93/61/455539361.db2.gz FSMLPTANBLRIHW-NSHDSACASA-N 1 2 334.401 3.017 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000161162764 455541941 /nfs/dbraw/zinc/54/19/41/455541941.db2.gz UUVBBIBPROSHEA-KRWDZBQOSA-N 1 2 329.831 3.362 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000161162764 455541945 /nfs/dbraw/zinc/54/19/45/455541945.db2.gz UUVBBIBPROSHEA-KRWDZBQOSA-N 1 2 329.831 3.362 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000161162640 455542402 /nfs/dbraw/zinc/54/24/02/455542402.db2.gz UUVBBIBPROSHEA-QGZVFWFLSA-N 1 2 329.831 3.362 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000161162640 455542409 /nfs/dbraw/zinc/54/24/09/455542409.db2.gz UUVBBIBPROSHEA-QGZVFWFLSA-N 1 2 329.831 3.362 20 70 EGIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000161277983 455555098 /nfs/dbraw/zinc/55/50/98/455555098.db2.gz OJQZTPSLICENQA-QGZVFWFLSA-N 1 2 341.411 3.187 20 70 EGIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000161277983 455555101 /nfs/dbraw/zinc/55/51/01/455555101.db2.gz OJQZTPSLICENQA-QGZVFWFLSA-N 1 2 341.411 3.187 20 70 EGIDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3[nH]c4ccccc4[nH+]3)C2)C1 ZINC000160018627 526420817 /nfs/dbraw/zinc/42/08/17/526420817.db2.gz XXTWJRPROFGYQK-LJQANCHMSA-N 1 2 342.443 3.400 20 70 EGIDLO C[C@H](CCn1cccn1)[NH2+]c1ccc(OCc2nccn2C)cc1 ZINC000159368405 225204017 /nfs/dbraw/zinc/20/40/17/225204017.db2.gz GJXLSZWHIKCUCO-OAHLLOKOSA-N 1 2 325.416 3.086 20 70 EGIDLO O=C(Nc1ccc(F)cc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159902426 225298416 /nfs/dbraw/zinc/29/84/16/225298416.db2.gz SPRKEAUWPKKQBJ-LBPRGKRZSA-N 1 2 334.782 3.275 20 70 EGIDLO Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161167412 307899568 /nfs/dbraw/zinc/89/95/68/307899568.db2.gz SOLUKAMBLHGRAO-UHFFFAOYSA-N 1 2 334.485 3.449 20 70 EGIDLO Cc1ccc(NC(=O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000159672420 455394279 /nfs/dbraw/zinc/39/42/79/455394279.db2.gz HSCRIYHTARXGQT-NRFANRHFSA-N 1 2 336.435 3.107 20 70 EGIDLO Cc1ccc(NC(=O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000159672420 455394283 /nfs/dbraw/zinc/39/42/83/455394283.db2.gz HSCRIYHTARXGQT-NRFANRHFSA-N 1 2 336.435 3.107 20 70 EGIDLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233481 455440654 /nfs/dbraw/zinc/44/06/54/455440654.db2.gz GCEGYPKGLRNETA-AAEUAGOBSA-N 1 2 349.818 3.131 20 70 EGIDLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000160233481 455440659 /nfs/dbraw/zinc/44/06/59/455440659.db2.gz GCEGYPKGLRNETA-AAEUAGOBSA-N 1 2 349.818 3.131 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3ccoc3C)c2c1 ZINC000160679082 455486885 /nfs/dbraw/zinc/48/68/85/455486885.db2.gz XEUAKZNCRMZPOH-UHFFFAOYSA-N 1 2 340.379 3.171 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3ccoc3C)c2c1 ZINC000160679082 455486889 /nfs/dbraw/zinc/48/68/89/455486889.db2.gz XEUAKZNCRMZPOH-UHFFFAOYSA-N 1 2 340.379 3.171 20 70 EGIDLO CN(Cc1c[nH+]c2ccccn12)Cc1nccn1Cc1ccccc1 ZINC000160817886 455501604 /nfs/dbraw/zinc/50/16/04/455501604.db2.gz BOYRKTXLOOWSAW-UHFFFAOYSA-N 1 2 331.423 3.211 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000161122009 455536843 /nfs/dbraw/zinc/53/68/43/455536843.db2.gz KKPYBHNVDLRQSE-YEYPGUGLSA-N 1 2 346.471 3.228 20 70 EGIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000161176089 455544644 /nfs/dbraw/zinc/54/46/44/455544644.db2.gz IFRABCFLAQFUOU-UHFFFAOYSA-N 1 2 326.421 3.202 20 70 EGIDLO COc1cccc(N2CC[NH+](Cc3csc(C4CC4)n3)CC2)c1 ZINC000161286390 455556054 /nfs/dbraw/zinc/55/60/54/455556054.db2.gz GDTQGNHHONNVET-UHFFFAOYSA-N 1 2 329.469 3.351 20 70 EGIDLO O=C(Nc1nnc(CC2CCCCC2)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161411571 455568150 /nfs/dbraw/zinc/56/81/50/455568150.db2.gz WQWPHASWINIYAN-ZDUSSCGKSA-N 1 2 345.472 3.059 20 70 EGIDLO CC(C)(C)C[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000161436855 455570799 /nfs/dbraw/zinc/57/07/99/455570799.db2.gz NQUYXANYFKXDPY-ZDUSSCGKSA-N 1 2 325.416 3.025 20 70 EGIDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@@H]1C ZINC000160033265 533982058 /nfs/dbraw/zinc/98/20/58/533982058.db2.gz YFWSCGPTVKAISK-KEYYUXOJSA-N 1 2 344.434 3.336 20 70 EGIDLO CCOCCC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000160089861 546943860 /nfs/dbraw/zinc/94/38/60/546943860.db2.gz LECFAKPBYQRGFW-UHFFFAOYSA-N 1 2 346.471 3.054 20 70 EGIDLO Cc1ccc2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)ccc2n1 ZINC000159496349 206248209 /nfs/dbraw/zinc/24/82/09/206248209.db2.gz ORGGXUFTMIMHSQ-UHFFFAOYSA-N 1 2 338.436 3.240 20 70 EGIDLO Cc1ccc2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)ccc2n1 ZINC000159496349 206248214 /nfs/dbraw/zinc/24/82/14/206248214.db2.gz ORGGXUFTMIMHSQ-UHFFFAOYSA-N 1 2 338.436 3.240 20 70 EGIDLO O=C(NCCn1cc[nH+]c1)NCC1(c2cccs2)CCCCC1 ZINC000160791935 206313934 /nfs/dbraw/zinc/31/39/34/206313934.db2.gz IXIKJFKORVUWMT-UHFFFAOYSA-N 1 2 332.473 3.146 20 70 EGIDLO C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000161389154 278360193 /nfs/dbraw/zinc/36/01/93/278360193.db2.gz ZEMPFXCMWJYZLG-IRXDYDNUSA-N 1 2 345.487 3.419 20 70 EGIDLO CCc1cnc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)s1 ZINC000159710857 307878269 /nfs/dbraw/zinc/87/82/69/307878269.db2.gz XUAKNXBTUVRTEB-GFCCVEGCSA-N 1 2 338.498 3.350 20 70 EGIDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000160884390 455508494 /nfs/dbraw/zinc/50/84/94/455508494.db2.gz PLUWGMMURIPFFG-PBHICJAKSA-N 1 2 336.863 3.114 20 70 EGIDLO Cc1cccc(C2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCCC2)c1 ZINC000161168940 455543279 /nfs/dbraw/zinc/54/32/79/455543279.db2.gz JVDSEMNGBXANKK-KRWDZBQOSA-N 1 2 337.467 3.382 20 70 EGIDLO CCOc1cc(C[NH2+]C2(c3noc(C)n3)CCCC2)ccc1OC ZINC000161371509 455564306 /nfs/dbraw/zinc/56/43/06/455564306.db2.gz QDMWPQUGVJAJGM-UHFFFAOYSA-N 1 2 331.416 3.344 20 70 EGIDLO CCSc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161398715 455566775 /nfs/dbraw/zinc/56/67/75/455566775.db2.gz CIZJKWCODCUIEX-ZFWWWQNUSA-N 1 2 329.469 3.435 20 70 EGIDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(F)n3)n2)C1 ZINC000159424109 206246150 /nfs/dbraw/zinc/24/61/50/206246150.db2.gz XNTGFXJMGKNXKO-NSHDSACASA-N 1 2 334.420 3.161 20 70 EGIDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(F)n3)n2)C1 ZINC000159424109 206246154 /nfs/dbraw/zinc/24/61/54/206246154.db2.gz XNTGFXJMGKNXKO-NSHDSACASA-N 1 2 334.420 3.161 20 70 EGIDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159789269 206263743 /nfs/dbraw/zinc/26/37/43/206263743.db2.gz LEFFGGCDLIYXOO-ZDUSSCGKSA-N 1 2 342.892 3.041 20 70 EGIDLO COc1ccc(Cl)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159810796 206265698 /nfs/dbraw/zinc/26/56/98/206265698.db2.gz RITBREOHGFXZPL-ZDUSSCGKSA-N 1 2 346.818 3.144 20 70 EGIDLO CS[C@H](C)CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000160819957 206314369 /nfs/dbraw/zinc/31/43/69/206314369.db2.gz RJVNFZWYZREHTK-VXGBXAGGSA-N 1 2 327.519 3.455 20 70 EGIDLO CS[C@H](C)CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000160819957 206314374 /nfs/dbraw/zinc/31/43/74/206314374.db2.gz RJVNFZWYZREHTK-VXGBXAGGSA-N 1 2 327.519 3.455 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(OCC3CCOCC3)cc2)CC1 ZINC000161104939 206327624 /nfs/dbraw/zinc/32/76/24/206327624.db2.gz KOSXMAPUSAISRF-UHFFFAOYSA-N 1 2 346.471 3.351 20 70 EGIDLO CC[C@@H](C)c1cc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)on1 ZINC000160754443 455495322 /nfs/dbraw/zinc/49/53/22/455495322.db2.gz RNDJYDZXRSHHGJ-CYBMUJFWSA-N 1 2 330.432 3.359 20 70 EGIDLO CC(C)CO[C@@H](C)c1noc(CN(C)Cc2c[nH+]c3ccccn23)n1 ZINC000160914325 455512888 /nfs/dbraw/zinc/51/28/88/455512888.db2.gz DQBQVWVCSWKYLC-AWEZNQCLSA-N 1 2 343.431 3.083 20 70 EGIDLO Cc1cccn2c(CN(C)CC(=O)Nc3c(C)cccc3C)c[nH+]c12 ZINC000160928918 455514788 /nfs/dbraw/zinc/51/47/88/455514788.db2.gz ULJSHUBCNRBADY-UHFFFAOYSA-N 1 2 336.439 3.330 20 70 EGIDLO Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000160970679 455519672 /nfs/dbraw/zinc/51/96/72/455519672.db2.gz UEAXLSLLVFKHCB-HSZRJFAPSA-N 1 2 327.453 3.012 20 70 EGIDLO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000160970679 455519675 /nfs/dbraw/zinc/51/96/75/455519675.db2.gz UEAXLSLLVFKHCB-HSZRJFAPSA-N 1 2 327.453 3.012 20 70 EGIDLO CC[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000161087894 455531662 /nfs/dbraw/zinc/53/16/62/455531662.db2.gz MFFXSKNKMYKNRN-ROUUACIJSA-N 1 2 328.387 3.394 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000161108253 455534783 /nfs/dbraw/zinc/53/47/83/455534783.db2.gz PNLCCZKZLINXJI-LSDHHAIUSA-N 1 2 329.469 3.052 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1C ZINC000160268751 529106676 /nfs/dbraw/zinc/10/66/76/529106676.db2.gz BIJKRTDYCSZJIE-HNNXBMFYSA-N 1 2 330.436 3.474 20 70 EGIDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)Cc3ccccc3F)cn21 ZINC000159656343 206257799 /nfs/dbraw/zinc/25/77/99/206257799.db2.gz GVBFZRRECAEGPG-CYBMUJFWSA-N 1 2 325.387 3.277 20 70 EGIDLO CCC[N@H+](Cc1cc(OC)ccn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000160033642 206276268 /nfs/dbraw/zinc/27/62/68/206276268.db2.gz KULIEFMLPUXBPU-OAHLLOKOSA-N 1 2 327.428 3.329 20 70 EGIDLO CCC[N@@H+](Cc1cc(OC)ccn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000160033642 206276273 /nfs/dbraw/zinc/27/62/73/206276273.db2.gz KULIEFMLPUXBPU-OAHLLOKOSA-N 1 2 327.428 3.329 20 70 EGIDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccs1 ZINC000160689761 206308315 /nfs/dbraw/zinc/30/83/15/206308315.db2.gz YPFAHYJIILNKFB-CABCVRRESA-N 1 2 329.469 3.152 20 70 EGIDLO CCOc1cc(C)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161033221 206324946 /nfs/dbraw/zinc/32/49/46/206324946.db2.gz YPDOCUYURXXHOX-OAHLLOKOSA-N 1 2 340.427 3.189 20 70 EGIDLO O=C(Nc1nc2ccccc2s1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159843055 275002565 /nfs/dbraw/zinc/00/25/65/275002565.db2.gz GMUDXVAGAGKLMA-GFCCVEGCSA-N 1 2 339.424 3.092 20 70 EGIDLO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1nnnn1-c1ccccc1 ZINC000159477042 307874271 /nfs/dbraw/zinc/87/42/71/307874271.db2.gz HKDMLOYRCVQKKY-RYUDHWBXSA-N 1 2 329.354 3.352 20 70 EGIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1nc2ccccc2s1 ZINC000160891313 307895669 /nfs/dbraw/zinc/89/56/69/307895669.db2.gz GRVZHOMFZZNFAY-UHFFFAOYSA-N 1 2 338.436 3.222 20 70 EGIDLO Cn1ccc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000161444086 455571063 /nfs/dbraw/zinc/57/10/63/455571063.db2.gz DFPVGXYUPMURDS-UHFFFAOYSA-N 1 2 326.227 3.402 20 70 EGIDLO Cn1ccc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000161444086 455571065 /nfs/dbraw/zinc/57/10/65/455571065.db2.gz DFPVGXYUPMURDS-UHFFFAOYSA-N 1 2 326.227 3.402 20 70 EGIDLO CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)Cc1ccoc1 ZINC000160835732 455503976 /nfs/dbraw/zinc/50/39/76/455503976.db2.gz CJHMJVYJNOEQJS-UHFFFAOYSA-N 1 2 340.379 3.252 20 70 EGIDLO CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)Cc1ccoc1 ZINC000160835732 455503980 /nfs/dbraw/zinc/50/39/80/455503980.db2.gz CJHMJVYJNOEQJS-UHFFFAOYSA-N 1 2 340.379 3.252 20 70 EGIDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000159632658 455391511 /nfs/dbraw/zinc/39/15/11/455391511.db2.gz USIZEEGVJIHPFE-SFHVURJKSA-N 1 2 343.377 3.494 20 70 EGIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000159913222 455414676 /nfs/dbraw/zinc/41/46/76/455414676.db2.gz NQQWIHRDTHXYCW-HNNXBMFYSA-N 1 2 341.455 3.048 20 70 EGIDLO O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160142449 455431865 /nfs/dbraw/zinc/43/18/65/455431865.db2.gz FTKJAULDFIOBHF-GFCCVEGCSA-N 1 2 347.378 3.221 20 70 EGIDLO C[C@H]1CC(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H](C)O1 ZINC000160558260 455473604 /nfs/dbraw/zinc/47/36/04/455473604.db2.gz ZIGKLFKNXDSZAD-STQMWFEESA-N 1 2 328.416 3.165 20 70 EGIDLO CC(C)CO[C@H](C)c1noc(CN(C)Cc2c[nH+]c3ccccn23)n1 ZINC000160914432 455512792 /nfs/dbraw/zinc/51/27/92/455512792.db2.gz DQBQVWVCSWKYLC-CQSZACIVSA-N 1 2 343.431 3.083 20 70 EGIDLO Cc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OCC(F)F ZINC000161157145 455540837 /nfs/dbraw/zinc/54/08/37/455540837.db2.gz LOMSSHGPVARXCD-GFCCVEGCSA-N 1 2 335.354 3.037 20 70 EGIDLO CCC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000161426157 455569236 /nfs/dbraw/zinc/56/92/36/455569236.db2.gz PRQJLZKBJXBLDU-MRXNPFEDSA-N 1 2 343.427 3.113 20 70 EGIDLO O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218094623 456034657 /nfs/dbraw/zinc/03/46/57/456034657.db2.gz DHIFOKJTIQNHPP-QQABJKMWSA-N 1 2 339.483 3.383 20 70 EGIDLO O=C(C[C@H]1CSCCS1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159876058 206268751 /nfs/dbraw/zinc/26/87/51/206268751.db2.gz SNXNSLQQOBNDMZ-LBPRGKRZSA-N 1 2 337.445 3.189 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000161207741 206333754 /nfs/dbraw/zinc/33/37/54/206333754.db2.gz BDDVFJZFPIDGNF-CQSZACIVSA-N 1 2 325.412 3.133 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000161207741 206333756 /nfs/dbraw/zinc/33/37/56/206333756.db2.gz BDDVFJZFPIDGNF-CQSZACIVSA-N 1 2 325.412 3.133 20 70 EGIDLO C[C@](O)(CNc1nc(N)c2ccccc2[nH+]1)c1ccccc1Cl ZINC000160180224 225355402 /nfs/dbraw/zinc/35/54/02/225355402.db2.gz DFWXCKWWHMLJLK-KRWDZBQOSA-N 1 2 328.803 3.185 20 70 EGIDLO O=C(Nc1nc2ccccc2s1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159843178 275002473 /nfs/dbraw/zinc/00/24/73/275002473.db2.gz GMUDXVAGAGKLMA-LBPRGKRZSA-N 1 2 339.424 3.092 20 70 EGIDLO C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC000159627073 278360057 /nfs/dbraw/zinc/36/00/57/278360057.db2.gz IEUGUQNGLBHSIR-JKSUJKDBSA-N 1 2 331.460 3.029 20 70 EGIDLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)s1 ZINC000159710747 307878159 /nfs/dbraw/zinc/87/81/59/307878159.db2.gz XUAKNXBTUVRTEB-LBPRGKRZSA-N 1 2 338.498 3.350 20 70 EGIDLO Cc1ccc(-c2nnc([C@@H](C)SCC[NH+]3CCOCC3)o2)cc1C ZINC000160038083 455423042 /nfs/dbraw/zinc/42/30/42/455423042.db2.gz BRPQQPPFZWKHNR-OAHLLOKOSA-N 1 2 347.484 3.480 20 70 EGIDLO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)C(C)C ZINC000159440044 455377452 /nfs/dbraw/zinc/37/74/52/455377452.db2.gz WNZGBDBGWOGFHX-LAUBAEHRSA-N 1 2 344.499 3.194 20 70 EGIDLO CC(C)N(C(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1)C(C)C ZINC000159440044 455377456 /nfs/dbraw/zinc/37/74/56/455377456.db2.gz WNZGBDBGWOGFHX-LAUBAEHRSA-N 1 2 344.499 3.194 20 70 EGIDLO Cc1ccc2nc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)cn2c1 ZINC000159604313 455387827 /nfs/dbraw/zinc/38/78/27/455387827.db2.gz FYWXVCHZMNQFBR-NRFANRHFSA-N 1 2 333.435 3.317 20 70 EGIDLO Cc1ccc2nc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)cn2c1 ZINC000159604313 455387831 /nfs/dbraw/zinc/38/78/31/455387831.db2.gz FYWXVCHZMNQFBR-NRFANRHFSA-N 1 2 333.435 3.317 20 70 EGIDLO O=C(Cc1cccc(OC(F)(F)F)c1)NCc1cn2ccccc2[nH+]1 ZINC000159693037 455396278 /nfs/dbraw/zinc/39/62/78/455396278.db2.gz ZYVJUWDWMRSRIZ-UHFFFAOYSA-N 1 2 349.312 3.092 20 70 EGIDLO CSc1cncc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159716545 455398823 /nfs/dbraw/zinc/39/88/23/455398823.db2.gz NNTKLOQVVNCDRI-UHFFFAOYSA-N 1 2 325.441 3.080 20 70 EGIDLO O=C(Nc1nc(-c2ccccc2F)cs1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160314419 455447300 /nfs/dbraw/zinc/44/73/00/455447300.db2.gz IEFRYYZKEZGBDP-NSHDSACASA-N 1 2 342.399 3.347 20 70 EGIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000160531098 455470719 /nfs/dbraw/zinc/47/07/19/455470719.db2.gz DVQWZMVWYXLZQK-UHFFFAOYSA-N 1 2 338.411 3.265 20 70 EGIDLO CCn1nccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161480945 455573862 /nfs/dbraw/zinc/57/38/62/455573862.db2.gz LQVBHQIQSXQQBT-UHFFFAOYSA-N 1 2 332.423 3.281 20 70 EGIDLO CCn1nccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161480945 455573865 /nfs/dbraw/zinc/57/38/65/455573865.db2.gz LQVBHQIQSXQQBT-UHFFFAOYSA-N 1 2 332.423 3.281 20 70 EGIDLO CCCCN(C)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161485163 455574803 /nfs/dbraw/zinc/57/48/03/455574803.db2.gz UYXFUMNQYACKBZ-HNNXBMFYSA-N 1 2 326.444 3.321 20 70 EGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(Cc3ccccc3)no2)c1 ZINC000159770014 206262385 /nfs/dbraw/zinc/26/23/85/206262385.db2.gz JRSQYQMASBWAMV-UHFFFAOYSA-N 1 2 336.439 3.358 20 70 EGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(Cc3ccccc3)no2)c1 ZINC000159770014 206262389 /nfs/dbraw/zinc/26/23/89/206262389.db2.gz JRSQYQMASBWAMV-UHFFFAOYSA-N 1 2 336.439 3.358 20 70 EGIDLO CCCC(O)(CCC)CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160089423 206279713 /nfs/dbraw/zinc/27/97/13/206279713.db2.gz IMYUFYCRJUVYRH-UHFFFAOYSA-N 1 2 347.503 3.410 20 70 EGIDLO CCCOc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160203358 206283853 /nfs/dbraw/zinc/28/38/53/206283853.db2.gz FPKRPDZVYSCNFA-OAHLLOKOSA-N 1 2 340.427 3.271 20 70 EGIDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)[nH]1 ZINC000160296374 206287900 /nfs/dbraw/zinc/28/79/00/206287900.db2.gz ADOUYEVTOPDPPK-CQSZACIVSA-N 1 2 349.438 3.470 20 70 EGIDLO O=C([C@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160935089 206319938 /nfs/dbraw/zinc/31/99/38/206319938.db2.gz RTYTVFIZTBSVPK-OTWHNJEPSA-N 1 2 341.499 3.332 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)CC1 ZINC000161122123 206329957 /nfs/dbraw/zinc/32/99/57/206329957.db2.gz KKPYBHNVDLRQSE-MPIRFRCKSA-N 1 2 346.471 3.228 20 70 EGIDLO CCCOc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160617775 206305914 /nfs/dbraw/zinc/30/59/14/206305914.db2.gz FKUCJQJCYOLBAP-INIZCTEOSA-N 1 2 340.427 3.271 20 70 EGIDLO CC(C)NC(=O)c1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000159801535 307880071 /nfs/dbraw/zinc/88/00/71/307880071.db2.gz AHMZPXLADTUCRQ-UHFFFAOYSA-N 1 2 348.406 3.263 20 70 EGIDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccn(C2CCCC2)n1 ZINC000159659449 455393992 /nfs/dbraw/zinc/39/39/92/455393992.db2.gz NCMJHOOAYSSFSI-UHFFFAOYSA-N 1 2 335.411 3.114 20 70 EGIDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3nncn3C)CC2)cc1 ZINC000160791008 455499196 /nfs/dbraw/zinc/49/91/96/455499196.db2.gz OZMWEQXSHQQSAV-UHFFFAOYSA-N 1 2 340.471 3.109 20 70 EGIDLO Cc1[nH+]c2ccccn2c1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000160843801 455504972 /nfs/dbraw/zinc/50/49/72/455504972.db2.gz LVHARIQATSKPFA-UHFFFAOYSA-N 1 2 337.427 3.462 20 70 EGIDLO Cc1nc2ccccn2c1C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000160843801 455504976 /nfs/dbraw/zinc/50/49/76/455504976.db2.gz LVHARIQATSKPFA-UHFFFAOYSA-N 1 2 337.427 3.462 20 70 EGIDLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000159492877 455380616 /nfs/dbraw/zinc/38/06/16/455380616.db2.gz FMZKABIZXYQOJF-ZDUSSCGKSA-N 1 2 327.815 3.483 20 70 EGIDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601756 455387976 /nfs/dbraw/zinc/38/79/76/455387976.db2.gz RAQVOPDBDVWINH-ORAYPTAESA-N 1 2 325.412 3.182 20 70 EGIDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601756 455387980 /nfs/dbraw/zinc/38/79/80/455387980.db2.gz RAQVOPDBDVWINH-ORAYPTAESA-N 1 2 325.412 3.182 20 70 EGIDLO CC(C)N(C)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000160145208 455433218 /nfs/dbraw/zinc/43/32/18/455433218.db2.gz FQRKSJTZEBPGLC-CYBMUJFWSA-N 1 2 330.407 3.068 20 70 EGIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)[nH]1 ZINC000160368911 455452022 /nfs/dbraw/zinc/45/20/22/455452022.db2.gz XUZGKGWUQMSEDQ-CYBMUJFWSA-N 1 2 332.448 3.261 20 70 EGIDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000161044015 455527327 /nfs/dbraw/zinc/52/73/27/455527327.db2.gz VZEGUUQJHYWLJV-UHFFFAOYSA-N 1 2 329.469 3.225 20 70 EGIDLO CCOc1ccccc1[C@@H](CC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161124764 455537569 /nfs/dbraw/zinc/53/75/69/455537569.db2.gz WAJQXYXPRVMCTL-GOEBONIOSA-N 1 2 327.428 3.112 20 70 EGIDLO CCc1nc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000161386741 455564615 /nfs/dbraw/zinc/56/46/15/455564615.db2.gz ROMBVTSZJAGCDY-UHFFFAOYSA-N 1 2 343.406 3.226 20 70 EGIDLO CCc1nc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)no1 ZINC000161386741 455564618 /nfs/dbraw/zinc/56/46/18/455564618.db2.gz ROMBVTSZJAGCDY-UHFFFAOYSA-N 1 2 343.406 3.226 20 70 EGIDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)n2)C1 ZINC000159422949 206245399 /nfs/dbraw/zinc/24/53/99/206245399.db2.gz RDDFNKBICOPULP-HEHGZKQESA-N 1 2 349.500 3.319 20 70 EGIDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)n2)C1 ZINC000159422949 206245401 /nfs/dbraw/zinc/24/54/01/206245401.db2.gz RDDFNKBICOPULP-HEHGZKQESA-N 1 2 349.500 3.319 20 70 EGIDLO CCc1nc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cs1 ZINC000159441543 206246123 /nfs/dbraw/zinc/24/61/23/206246123.db2.gz VECCNZKVCLOOIQ-LBPRGKRZSA-N 1 2 338.498 3.350 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160349833 206291247 /nfs/dbraw/zinc/29/12/47/206291247.db2.gz CJSMSCTYZYXHJR-HOTGVXAUSA-N 1 2 341.480 3.472 20 70 EGIDLO O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160723442 206309704 /nfs/dbraw/zinc/30/97/04/206309704.db2.gz QJCNOLJIGJLEIO-CYBMUJFWSA-N 1 2 348.353 3.083 20 70 EGIDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1 ZINC000160766305 206312833 /nfs/dbraw/zinc/31/28/33/206312833.db2.gz ZFYZPJDOHPGDSU-UHFFFAOYSA-N 1 2 346.452 3.220 20 70 EGIDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1 ZINC000160766305 206312837 /nfs/dbraw/zinc/31/28/37/206312837.db2.gz ZFYZPJDOHPGDSU-UHFFFAOYSA-N 1 2 346.452 3.220 20 70 EGIDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cncc(-c2ccccc2)c1 ZINC000160836539 307895303 /nfs/dbraw/zinc/89/53/03/307895303.db2.gz KHAGXMLROGPVGF-UHFFFAOYSA-N 1 2 342.402 3.369 20 70 EGIDLO CCOC(=O)C[N@H+](CCOC)[C@@H](C)c1cccc(Br)c1 ZINC000159581648 455387459 /nfs/dbraw/zinc/38/74/59/455387459.db2.gz MGBKACRDFBMTBZ-LBPRGKRZSA-N 1 2 344.249 3.022 20 70 EGIDLO CCOC(=O)C[N@@H+](CCOC)[C@@H](C)c1cccc(Br)c1 ZINC000159581648 455387462 /nfs/dbraw/zinc/38/74/62/455387462.db2.gz MGBKACRDFBMTBZ-LBPRGKRZSA-N 1 2 344.249 3.022 20 70 EGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nnc(C2CC2)s1 ZINC000159708288 455397616 /nfs/dbraw/zinc/39/76/16/455397616.db2.gz CVJOTQLRUQTJLG-UHFFFAOYSA-N 1 2 325.441 3.297 20 70 EGIDLO CCOc1cccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000159875906 455411790 /nfs/dbraw/zinc/41/17/90/455411790.db2.gz KZDUSDJLXXGEKO-UHFFFAOYSA-N 1 2 337.423 3.344 20 70 EGIDLO CCOc1cccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000159875906 455411795 /nfs/dbraw/zinc/41/17/95/455411795.db2.gz KZDUSDJLXXGEKO-UHFFFAOYSA-N 1 2 337.423 3.344 20 70 EGIDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159797440 455404771 /nfs/dbraw/zinc/40/47/71/455404771.db2.gz JPSZPCQNOBJWCZ-SFHVURJKSA-N 1 2 339.439 3.483 20 70 EGIDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159797440 455404776 /nfs/dbraw/zinc/40/47/76/455404776.db2.gz JPSZPCQNOBJWCZ-SFHVURJKSA-N 1 2 339.439 3.483 20 70 EGIDLO Cc1ccc(-c2nnc([C@H](C)SCC[NH+]3CCOCC3)o2)cc1C ZINC000160038234 455423493 /nfs/dbraw/zinc/42/34/93/455423493.db2.gz BRPQQPPFZWKHNR-HNNXBMFYSA-N 1 2 347.484 3.480 20 70 EGIDLO O=C(NCCn1cc[nH+]c1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000159407559 455375584 /nfs/dbraw/zinc/37/55/84/455375584.db2.gz QBMAZNSGDWIXNL-UHFFFAOYSA-N 1 2 329.791 3.149 20 70 EGIDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000159631348 455390008 /nfs/dbraw/zinc/39/00/08/455390008.db2.gz KGUSOZJOZGSYJI-GOSISDBHSA-N 1 2 325.387 3.355 20 70 EGIDLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000159631348 455390015 /nfs/dbraw/zinc/39/00/15/455390015.db2.gz KGUSOZJOZGSYJI-GOSISDBHSA-N 1 2 325.387 3.355 20 70 EGIDLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000159631348 455390018 /nfs/dbraw/zinc/39/00/18/455390018.db2.gz KGUSOZJOZGSYJI-GOSISDBHSA-N 1 2 325.387 3.355 20 70 EGIDLO O=C(Nc1cccc2c1CCCC2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159960318 455418273 /nfs/dbraw/zinc/41/82/73/455418273.db2.gz ULCVJAAQDMLJFV-MRXNPFEDSA-N 1 2 336.439 3.361 20 70 EGIDLO O=C(NCCCCC1CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160478478 455464459 /nfs/dbraw/zinc/46/44/59/455464459.db2.gz MDXBOPQLEBFRRN-UHFFFAOYSA-N 1 2 344.503 3.269 20 70 EGIDLO CC(C)CC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000160697020 455488600 /nfs/dbraw/zinc/48/86/00/455488600.db2.gz DKBAQEAOTJFMEP-UHFFFAOYSA-N 1 2 344.503 3.125 20 70 EGIDLO O=C(/C=C/c1ccc2ccccc2n1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161406052 455566452 /nfs/dbraw/zinc/56/64/52/455566452.db2.gz WMRLHJBTFKMLIN-ZGKFYVQTSA-N 1 2 344.418 3.038 20 70 EGIDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)n2)C1 ZINC000159422777 206245012 /nfs/dbraw/zinc/24/50/12/206245012.db2.gz RDDFNKBICOPULP-DVOMOZLQSA-N 1 2 349.500 3.319 20 70 EGIDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)n2)C1 ZINC000159422777 206245015 /nfs/dbraw/zinc/24/50/15/206245015.db2.gz RDDFNKBICOPULP-DVOMOZLQSA-N 1 2 349.500 3.319 20 70 EGIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000159492301 206248925 /nfs/dbraw/zinc/24/89/25/206248925.db2.gz AQGQNOWGKQGOGP-WFASDCNBSA-N 1 2 335.473 3.073 20 70 EGIDLO CSc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159788453 206263679 /nfs/dbraw/zinc/26/36/79/206263679.db2.gz AZPPSMJSYAWBKR-CQSZACIVSA-N 1 2 328.441 3.204 20 70 EGIDLO O=C(Nc1ccc(F)cc1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159902568 206270296 /nfs/dbraw/zinc/27/02/96/206270296.db2.gz SPRKEAUWPKKQBJ-GFCCVEGCSA-N 1 2 334.782 3.275 20 70 EGIDLO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160265174 206287592 /nfs/dbraw/zinc/28/75/92/206287592.db2.gz FAXWUVFKXQQTOH-XUVXKRRUSA-N 1 2 341.499 3.332 20 70 EGIDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[nH]1 ZINC000160296238 206288461 /nfs/dbraw/zinc/28/84/61/206288461.db2.gz ADOUYEVTOPDPPK-AWEZNQCLSA-N 1 2 349.438 3.470 20 70 EGIDLO CCc1nnc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)[nH]1 ZINC000160371594 206293288 /nfs/dbraw/zinc/29/32/88/206293288.db2.gz HHGRRVOUQXUYNX-MRXNPFEDSA-N 1 2 340.402 3.416 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000161050518 206324753 /nfs/dbraw/zinc/32/47/53/206324753.db2.gz RMYVDPLKDZPPFH-SFHVURJKSA-N 1 2 327.403 3.063 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000161050518 206324758 /nfs/dbraw/zinc/32/47/58/206324758.db2.gz RMYVDPLKDZPPFH-SFHVURJKSA-N 1 2 327.403 3.063 20 70 EGIDLO c1cc(OC[C@H]2CCCO2)ccc1[NH2+]C1CCC2(CC1)OCCO2 ZINC000161102950 206327946 /nfs/dbraw/zinc/32/79/46/206327946.db2.gz SHKXRPHJTFZABH-GOSISDBHSA-N 1 2 333.428 3.342 20 70 EGIDLO CC(C)c1nc(N(C)C)nc(N[C@H]2CCO[C@H](c3ccccc3)C2)[nH+]1 ZINC000160626083 206306387 /nfs/dbraw/zinc/30/63/87/206306387.db2.gz VPIVWELQBPNVHX-HOTGVXAUSA-N 1 2 341.459 3.393 20 70 EGIDLO CC(C)c1nc(N[C@H]2CCO[C@H](c3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000160626083 206306392 /nfs/dbraw/zinc/30/63/92/206306392.db2.gz VPIVWELQBPNVHX-HOTGVXAUSA-N 1 2 341.459 3.393 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000161207619 206334976 /nfs/dbraw/zinc/33/49/76/206334976.db2.gz BDDVFJZFPIDGNF-AWEZNQCLSA-N 1 2 325.412 3.133 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000161207619 206334977 /nfs/dbraw/zinc/33/49/77/206334977.db2.gz BDDVFJZFPIDGNF-AWEZNQCLSA-N 1 2 325.412 3.133 20 70 EGIDLO Brc1ccc([C@H]2C[N@H+](CCOCC3CC3)CCO2)cc1 ZINC000159630313 455390458 /nfs/dbraw/zinc/39/04/58/455390458.db2.gz ARLXMPAGKLKBMX-MRXNPFEDSA-N 1 2 340.261 3.249 20 70 EGIDLO Brc1ccc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1 ZINC000159630313 455390461 /nfs/dbraw/zinc/39/04/61/455390461.db2.gz ARLXMPAGKLKBMX-MRXNPFEDSA-N 1 2 340.261 3.249 20 70 EGIDLO CC(C)(C)CCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160064513 455425251 /nfs/dbraw/zinc/42/52/51/455425251.db2.gz KLIFXSXTAJZCMF-UHFFFAOYSA-N 1 2 332.492 3.125 20 70 EGIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000160930195 455515099 /nfs/dbraw/zinc/51/50/99/455515099.db2.gz ZMYPKQIVQLMHBC-UHFFFAOYSA-N 1 2 328.460 3.395 20 70 EGIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000160930195 455515103 /nfs/dbraw/zinc/51/51/03/455515103.db2.gz ZMYPKQIVQLMHBC-UHFFFAOYSA-N 1 2 328.460 3.395 20 70 EGIDLO CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cnn(C)c1 ZINC000161080534 455530567 /nfs/dbraw/zinc/53/05/67/455530567.db2.gz LZLMRZVYUYNTBN-UHFFFAOYSA-N 1 2 341.242 3.188 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cnn(C)c1 ZINC000161080534 455530570 /nfs/dbraw/zinc/53/05/70/455530570.db2.gz LZLMRZVYUYNTBN-UHFFFAOYSA-N 1 2 341.242 3.188 20 70 EGIDLO Fc1ccccc1SCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161192212 455546347 /nfs/dbraw/zinc/54/63/47/455546347.db2.gz DRCNPRKNWZZVGA-UHFFFAOYSA-N 1 2 331.460 3.131 20 70 EGIDLO Fc1ccccc1SCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000161192212 455546352 /nfs/dbraw/zinc/54/63/52/455546352.db2.gz DRCNPRKNWZZVGA-UHFFFAOYSA-N 1 2 331.460 3.131 20 70 EGIDLO CC(C)CCn1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000161199377 455547566 /nfs/dbraw/zinc/54/75/66/455547566.db2.gz HRFCJTWVNSNHLF-HOTGVXAUSA-N 1 2 344.463 3.241 20 70 EGIDLO CC(C)CCn1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000161199610 455547973 /nfs/dbraw/zinc/54/79/73/455547973.db2.gz HRFCJTWVNSNHLF-JKSUJKDBSA-N 1 2 344.463 3.241 20 70 EGIDLO CC(C)(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000161358816 455562697 /nfs/dbraw/zinc/56/26/97/455562697.db2.gz VLSJOBXBHOIBIQ-ZDUSSCGKSA-N 1 2 331.847 3.193 20 70 EGIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1nc2ccccc2s1 ZINC000161406428 455567928 /nfs/dbraw/zinc/56/79/28/455567928.db2.gz PJBRDLNJRXRGOH-UHFFFAOYSA-N 1 2 338.436 3.222 20 70 EGIDLO CC(C)([NH2+]Cc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000161451812 455571717 /nfs/dbraw/zinc/57/17/17/455571717.db2.gz VWDBAGPRPGGQMP-UHFFFAOYSA-N 1 2 326.231 3.340 20 70 EGIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000159768086 546942041 /nfs/dbraw/zinc/94/20/41/546942041.db2.gz GUNSKCGYSVCAPM-INIZCTEOSA-N 1 2 339.439 3.402 20 70 EGIDLO Cc1cc(Cl)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159819950 206265553 /nfs/dbraw/zinc/26/55/53/206265553.db2.gz PWFRTVVRILYCPZ-AWEZNQCLSA-N 1 2 330.819 3.444 20 70 EGIDLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCCc4sccc43)[nH+]cn2)C1 ZINC000161074915 206325950 /nfs/dbraw/zinc/32/59/50/206325950.db2.gz GQSISKYGMGNZEC-DZGCQCFKSA-N 1 2 344.484 3.236 20 70 EGIDLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCCc4sccc43)nc[nH+]2)C1 ZINC000161074915 206325954 /nfs/dbraw/zinc/32/59/54/206325954.db2.gz GQSISKYGMGNZEC-DZGCQCFKSA-N 1 2 344.484 3.236 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000161121886 206329759 /nfs/dbraw/zinc/32/97/59/206329759.db2.gz KKPYBHNVDLRQSE-PNGKTBNWSA-N 1 2 346.471 3.228 20 70 EGIDLO CCc1cc(NCCCC(=O)OC(C)C)nc(-c2ccncc2)[nH+]1 ZINC000160257312 455442764 /nfs/dbraw/zinc/44/27/64/455442764.db2.gz URQGFULIXUTRAP-UHFFFAOYSA-N 1 2 328.416 3.245 20 70 EGIDLO COC(=O)c1ccccc1C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000160827748 455502989 /nfs/dbraw/zinc/50/29/89/455502989.db2.gz JQYVRYKXOWUWHX-UHFFFAOYSA-N 1 2 329.396 3.122 20 70 EGIDLO COC(=O)c1ccccc1C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000160827748 455502994 /nfs/dbraw/zinc/50/29/94/455502994.db2.gz JQYVRYKXOWUWHX-UHFFFAOYSA-N 1 2 329.396 3.122 20 70 EGIDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2ccccn12 ZINC000160628471 455481933 /nfs/dbraw/zinc/48/19/33/455481933.db2.gz GBOJUZHRCNMRKX-UHFFFAOYSA-N 1 2 336.439 3.412 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2ccccn12 ZINC000160628471 455481938 /nfs/dbraw/zinc/48/19/38/455481938.db2.gz GBOJUZHRCNMRKX-UHFFFAOYSA-N 1 2 336.439 3.412 20 70 EGIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(COC)o1 ZINC000160891254 455509051 /nfs/dbraw/zinc/50/90/51/455509051.db2.gz XQVCWQTWPVNQTM-UHFFFAOYSA-N 1 2 346.427 3.285 20 70 EGIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(COC)o1 ZINC000160891254 455509056 /nfs/dbraw/zinc/50/90/56/455509056.db2.gz XQVCWQTWPVNQTM-UHFFFAOYSA-N 1 2 346.427 3.285 20 70 EGIDLO CC1(C)CC(NC(=O)c2cc(F)cc(Cl)c2O)CC(C)(C)[NH2+]1 ZINC000161134533 455538265 /nfs/dbraw/zinc/53/82/65/455538265.db2.gz FSUQMZUSMLGRKD-UHFFFAOYSA-N 1 2 328.815 3.224 20 70 EGIDLO CC[C@H](SC)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000161303303 455557030 /nfs/dbraw/zinc/55/70/30/455557030.db2.gz QRQDVEFYRNXZSD-HNNXBMFYSA-N 1 2 333.457 3.383 20 70 EGIDLO Fc1ccc([C@@H]2CN(Cc3c[nH+]c4ccccn34)CCO2)cc1F ZINC000159632310 140942699 /nfs/dbraw/zinc/94/26/99/140942699.db2.gz RDZAXYFYCORQBZ-KRWDZBQOSA-N 1 2 329.350 3.186 20 70 EGIDLO O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159451341 225220706 /nfs/dbraw/zinc/22/07/06/225220706.db2.gz QZRYUQMMUFLEHQ-INIZCTEOSA-N 1 2 325.412 3.094 20 70 EGIDLO C[C@](O)(CNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1Cl ZINC000160159469 225349604 /nfs/dbraw/zinc/34/96/04/225349604.db2.gz NYSLQPJWPKCAHA-SFHVURJKSA-N 1 2 346.862 3.440 20 70 EGIDLO C[C@](O)(CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1Cl ZINC000160159469 225349608 /nfs/dbraw/zinc/34/96/08/225349608.db2.gz NYSLQPJWPKCAHA-SFHVURJKSA-N 1 2 346.862 3.440 20 70 EGIDLO O=C(NC1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161045853 295594141 /nfs/dbraw/zinc/59/41/41/295594141.db2.gz YWEKWMWREWQGDA-CYBMUJFWSA-N 1 2 329.831 3.295 20 70 EGIDLO Cc1nc2ccc(NC(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2o1 ZINC000159584132 455387200 /nfs/dbraw/zinc/38/72/00/455387200.db2.gz AZBUBBOSMAYAFB-FHSNZYRGSA-N 1 2 345.443 3.209 20 70 EGIDLO Cc1nc2ccc(NC(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2o1 ZINC000159584132 455387205 /nfs/dbraw/zinc/38/72/05/455387205.db2.gz AZBUBBOSMAYAFB-FHSNZYRGSA-N 1 2 345.443 3.209 20 70 EGIDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)C(C)C ZINC000159439920 455376884 /nfs/dbraw/zinc/37/68/84/455376884.db2.gz WNZGBDBGWOGFHX-DYESRHJHSA-N 1 2 344.499 3.194 20 70 EGIDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1)C(C)C ZINC000159439920 455376890 /nfs/dbraw/zinc/37/68/90/455376890.db2.gz WNZGBDBGWOGFHX-DYESRHJHSA-N 1 2 344.499 3.194 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)n1 ZINC000160585371 455477367 /nfs/dbraw/zinc/47/73/67/455477367.db2.gz XKHWUFRRMVVUIQ-MRXNPFEDSA-N 1 2 343.427 3.099 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)n1 ZINC000160585371 455477370 /nfs/dbraw/zinc/47/73/70/455477370.db2.gz XKHWUFRRMVVUIQ-MRXNPFEDSA-N 1 2 343.427 3.099 20 70 EGIDLO CC(C)Oc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160797339 455500219 /nfs/dbraw/zinc/50/02/19/455500219.db2.gz ASJUDOSEQJSMKM-HNNXBMFYSA-N 1 2 340.427 3.269 20 70 EGIDLO O[C@@H]1CCCC[C@H]1Oc1ccc([NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161122497 455537284 /nfs/dbraw/zinc/53/72/84/455537284.db2.gz SJNXFUXFRIFFPB-RTBURBONSA-N 1 2 347.455 3.467 20 70 EGIDLO CN(Cc1nc(-c2c(F)cccc2F)cs1)Cc1[nH+]ccn1C ZINC000161156688 455541197 /nfs/dbraw/zinc/54/11/97/455541197.db2.gz VPTVAGDOTKRRGX-UHFFFAOYSA-N 1 2 334.395 3.454 20 70 EGIDLO CC(C)CCn1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000161199482 455548050 /nfs/dbraw/zinc/54/80/50/455548050.db2.gz HRFCJTWVNSNHLF-HZPDHXFCSA-N 1 2 344.463 3.241 20 70 EGIDLO CCC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161265837 455553579 /nfs/dbraw/zinc/55/35/79/455553579.db2.gz ZZSUYVNRBKWDAB-MOPGFXCFSA-N 1 2 332.488 3.076 20 70 EGIDLO CCC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161265837 455553583 /nfs/dbraw/zinc/55/35/83/455553583.db2.gz ZZSUYVNRBKWDAB-MOPGFXCFSA-N 1 2 332.488 3.076 20 70 EGIDLO C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161473306 455573835 /nfs/dbraw/zinc/57/38/35/455573835.db2.gz FJHPQJPYQOJELB-ZBFHGGJFSA-N 1 2 343.858 3.309 20 70 EGIDLO CC(C)c1ccccc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159973078 528199819 /nfs/dbraw/zinc/19/98/19/528199819.db2.gz AUFPLNHHMTUXEU-HNNXBMFYSA-N 1 2 336.501 3.202 20 70 EGIDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159809745 455406220 /nfs/dbraw/zinc/40/62/20/455406220.db2.gz GCVMMKMJOYVMKH-GOSISDBHSA-N 1 2 330.403 3.238 20 70 EGIDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159809745 455406226 /nfs/dbraw/zinc/40/62/26/455406226.db2.gz GCVMMKMJOYVMKH-GOSISDBHSA-N 1 2 330.403 3.238 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@H](C)c3ccco3)c2c1 ZINC000160721921 455491798 /nfs/dbraw/zinc/49/17/98/455491798.db2.gz SZKWNTOFWNTRBQ-GFCCVEGCSA-N 1 2 340.379 3.423 20 70 EGIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)[C@H](C)c3ccco3)c2c1 ZINC000160721921 455491802 /nfs/dbraw/zinc/49/18/02/455491802.db2.gz SZKWNTOFWNTRBQ-GFCCVEGCSA-N 1 2 340.379 3.423 20 70 EGIDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161127099 455537505 /nfs/dbraw/zinc/53/75/05/455537505.db2.gz VYBURMGVWGIKLV-CQSZACIVSA-N 1 2 348.878 3.115 20 70 EGIDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161127099 455537506 /nfs/dbraw/zinc/53/75/06/455537506.db2.gz VYBURMGVWGIKLV-CQSZACIVSA-N 1 2 348.878 3.115 20 70 EGIDLO CC(C)CCn1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000161199103 455547608 /nfs/dbraw/zinc/54/76/08/455547608.db2.gz NVIZXQYSEJVXEP-MRXNPFEDSA-N 1 2 343.431 3.009 20 70 EGIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC(F)F)c1 ZINC000161261897 455553609 /nfs/dbraw/zinc/55/36/09/455553609.db2.gz MYWSQSNRAKBBPF-ZDUSSCGKSA-N 1 2 343.370 3.214 20 70 EGIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC(F)F)c1 ZINC000161261897 455553613 /nfs/dbraw/zinc/55/36/13/455553613.db2.gz MYWSQSNRAKBBPF-ZDUSSCGKSA-N 1 2 343.370 3.214 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160349966 534484935 /nfs/dbraw/zinc/48/49/35/534484935.db2.gz CJSMSCTYZYXHJR-HZPDHXFCSA-N 1 2 341.480 3.472 20 70 EGIDLO CCOc1cc(C)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161033348 528253350 /nfs/dbraw/zinc/25/33/50/528253350.db2.gz YPDOCUYURXXHOX-HNNXBMFYSA-N 1 2 340.427 3.189 20 70 EGIDLO CC1(C)CCC(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000159602582 546939460 /nfs/dbraw/zinc/93/94/60/546939460.db2.gz MNIRMTDMCFDDIU-UHFFFAOYSA-N 1 2 332.492 3.278 20 70 EGIDLO C[C@@H](CC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)c1ccncc1 ZINC000160887577 546951967 /nfs/dbraw/zinc/95/19/67/546951967.db2.gz OEZFXPWKTLQBMD-KRWDZBQOSA-N 1 2 348.450 3.479 20 70 EGIDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC2(CCC2)C1)c1cccc(F)c1 ZINC000159473537 225224826 /nfs/dbraw/zinc/22/48/26/225224826.db2.gz GYBMVEVFXHTMHU-INIZCTEOSA-N 1 2 342.418 3.234 20 70 EGIDLO C[C@@H](CCC(C)(C)C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160306626 225386158 /nfs/dbraw/zinc/38/61/58/225386158.db2.gz TVLOMNVZMKKCCA-INIZCTEOSA-N 1 2 332.492 3.124 20 70 EGIDLO Cc1ccc(-c2nnc([C@@H](C)SCC[NH+]3CCOCC3)o2)cc1 ZINC000159878740 307881582 /nfs/dbraw/zinc/88/15/82/307881582.db2.gz MKGLTQVBKRZERV-CQSZACIVSA-N 1 2 333.457 3.171 20 70 EGIDLO CN(Cc1nccn1Cc1ccccc1)c1nc(N)c2ccccc2[nH+]1 ZINC000159712740 455397793 /nfs/dbraw/zinc/39/77/93/455397793.db2.gz MDGQOZJNXJPRNL-UHFFFAOYSA-N 1 2 344.422 3.093 20 70 EGIDLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000159407056 455375456 /nfs/dbraw/zinc/37/54/56/455375456.db2.gz NZKQDYWYZJNHCH-SECBINFHSA-N 1 2 345.394 3.222 20 70 EGIDLO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000159407056 455375459 /nfs/dbraw/zinc/37/54/59/455375459.db2.gz NZKQDYWYZJNHCH-SECBINFHSA-N 1 2 345.394 3.222 20 70 EGIDLO COc1ccc(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000159656550 455393332 /nfs/dbraw/zinc/39/33/32/455393332.db2.gz MUGHXAFOWFPGHI-UHFFFAOYSA-N 1 2 325.343 3.297 20 70 EGIDLO COc1cc2c(cc1OC)C[N@H+](Cc1cnc3cc(C)ccn13)CC2 ZINC000159777104 455402698 /nfs/dbraw/zinc/40/26/98/455402698.db2.gz HDBYVRKMENJYLL-UHFFFAOYSA-N 1 2 337.423 3.218 20 70 EGIDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cnc3cc(C)ccn13)CC2 ZINC000159777104 455402703 /nfs/dbraw/zinc/40/27/03/455402703.db2.gz HDBYVRKMENJYLL-UHFFFAOYSA-N 1 2 337.423 3.218 20 70 EGIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000159913086 455414319 /nfs/dbraw/zinc/41/43/19/455414319.db2.gz NQQWIHRDTHXYCW-OAHLLOKOSA-N 1 2 341.455 3.048 20 70 EGIDLO CC[C@H](C)c1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)on1 ZINC000159996211 455421353 /nfs/dbraw/zinc/42/13/53/455421353.db2.gz NVFPRYGWJSSGON-ZDUSSCGKSA-N 1 2 328.416 3.113 20 70 EGIDLO Cc1cccc([C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccn2)c1 ZINC000160087930 455427648 /nfs/dbraw/zinc/42/76/48/455427648.db2.gz CQVFFMLJAXHWKI-YLJYHZDGSA-N 1 2 346.434 3.055 20 70 EGIDLO Cc1ccsc1CCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000160291272 455445224 /nfs/dbraw/zinc/44/52/24/455445224.db2.gz DNMYYIXWHYHVSJ-UHFFFAOYSA-N 1 2 327.453 3.386 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000161047014 455526999 /nfs/dbraw/zinc/52/69/99/455526999.db2.gz PLACMXKNXZTSDF-OAHLLOKOSA-N 1 2 327.428 3.248 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000161047014 455527004 /nfs/dbraw/zinc/52/70/04/455527004.db2.gz PLACMXKNXZTSDF-OAHLLOKOSA-N 1 2 327.428 3.248 20 70 EGIDLO Cc1cccn2cc(CCNC(=O)CCc3ccc(F)cc3F)[nH+]c12 ZINC000159883406 546941993 /nfs/dbraw/zinc/94/19/93/546941993.db2.gz FEVUMMDRGYOKEN-UHFFFAOYSA-N 1 2 343.377 3.212 20 70 EGIDLO Cc1nccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000160024283 546943809 /nfs/dbraw/zinc/94/38/09/546943809.db2.gz JHLZGYQBXVBJSK-CYBMUJFWSA-N 1 2 332.791 3.124 20 70 EGIDLO C[C@H](CC(=O)NCc1[nH+]ccn1CCc1ccccc1)c1ccncc1 ZINC000161071315 546952222 /nfs/dbraw/zinc/95/22/22/546952222.db2.gz VIJKNNADORTUJQ-QGZVFWFLSA-N 1 2 348.450 3.331 20 70 EGIDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@H](c2ccccc2F)C1 ZINC000159631181 455390647 /nfs/dbraw/zinc/39/06/47/455390647.db2.gz KGUSOZJOZGSYJI-SFHVURJKSA-N 1 2 325.387 3.355 20 70 EGIDLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000159631181 455390651 /nfs/dbraw/zinc/39/06/51/455390651.db2.gz KGUSOZJOZGSYJI-SFHVURJKSA-N 1 2 325.387 3.355 20 70 EGIDLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000159631181 455390656 /nfs/dbraw/zinc/39/06/56/455390656.db2.gz KGUSOZJOZGSYJI-SFHVURJKSA-N 1 2 325.387 3.355 20 70 EGIDLO Cc1cccc(-n2cc(C(=O)Nc3ccccc3-n3cc[nH+]c3)nn2)c1 ZINC000159916011 455415704 /nfs/dbraw/zinc/41/57/04/455415704.db2.gz CDUHPIVGFFYZHP-UHFFFAOYSA-N 1 2 344.378 3.014 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2cccs2)n1 ZINC000159898909 455413533 /nfs/dbraw/zinc/41/35/33/455413533.db2.gz RXRDFFFMCFXQFM-GOEBONIOSA-N 1 2 329.469 3.466 20 70 EGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2cccs2)n1 ZINC000159898909 455413534 /nfs/dbraw/zinc/41/35/34/455413534.db2.gz RXRDFFFMCFXQFM-GOEBONIOSA-N 1 2 329.469 3.466 20 70 EGIDLO Cc1cccc([C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccccn2)c1 ZINC000160088064 455427575 /nfs/dbraw/zinc/42/75/75/455427575.db2.gz CQVFFMLJAXHWKI-PXNSSMCTSA-N 1 2 346.434 3.055 20 70 EGIDLO Fc1cccc(Cl)c1Cc1nnc(SCCn2cc[nH+]c2)o1 ZINC000160124853 455430327 /nfs/dbraw/zinc/43/03/27/455430327.db2.gz QTFGPYWJDKTOGT-UHFFFAOYSA-N 1 2 338.795 3.442 20 70 EGIDLO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000160887090 455509308 /nfs/dbraw/zinc/50/93/08/455509308.db2.gz SKWNXWUPYXLTEK-PBHICJAKSA-N 1 2 342.443 3.015 20 70 EGIDLO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000160887090 455509310 /nfs/dbraw/zinc/50/93/10/455509310.db2.gz SKWNXWUPYXLTEK-PBHICJAKSA-N 1 2 342.443 3.015 20 70 EGIDLO O=C([C@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160935388 455515671 /nfs/dbraw/zinc/51/56/71/455515671.db2.gz RTYTVFIZTBSVPK-QRVBRYPASA-N 1 2 341.499 3.332 20 70 EGIDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161098424 455532368 /nfs/dbraw/zinc/53/23/68/455532368.db2.gz GFSFMEWAWGRYMU-OAHLLOKOSA-N 1 2 327.428 3.329 20 70 EGIDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161098424 455532374 /nfs/dbraw/zinc/53/23/74/455532374.db2.gz GFSFMEWAWGRYMU-OAHLLOKOSA-N 1 2 327.428 3.329 20 70 EGIDLO Cc1nc(N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc[nH+]1 ZINC000161348056 455561218 /nfs/dbraw/zinc/56/12/18/455561218.db2.gz WDBWXZONJFNVNS-IBGZPJMESA-N 1 2 346.434 3.471 20 70 EGIDLO CC[N@H+](CCCNC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161471742 455573256 /nfs/dbraw/zinc/57/32/56/455573256.db2.gz MYAWHUKSNDTBFD-MRXNPFEDSA-N 1 2 333.476 3.160 20 70 EGIDLO CC[N@@H+](CCCNC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161471742 455573259 /nfs/dbraw/zinc/57/32/59/455573259.db2.gz MYAWHUKSNDTBFD-MRXNPFEDSA-N 1 2 333.476 3.160 20 70 EGIDLO O=C([C@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160265238 534634393 /nfs/dbraw/zinc/63/43/93/534634393.db2.gz FAXWUVFKXQQTOH-ZCNNSNEGSA-N 1 2 341.499 3.332 20 70 EGIDLO Cc1nccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000159929403 546942473 /nfs/dbraw/zinc/94/24/73/546942473.db2.gz ZOYGQASAIOCZJL-SMDDNHRTSA-N 1 2 333.823 3.355 20 70 EGIDLO C[C@]1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCS1 ZINC000159850824 225291366 /nfs/dbraw/zinc/29/13/66/225291366.db2.gz JHCWRJQEDOLGEG-GOSISDBHSA-N 1 2 348.516 3.157 20 70 EGIDLO C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1C ZINC000159626819 225251919 /nfs/dbraw/zinc/25/19/19/225251919.db2.gz IEUGUQNGLBHSIR-HOTGVXAUSA-N 1 2 331.460 3.029 20 70 EGIDLO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1nnnn1-c1ccccc1 ZINC000159477434 307874212 /nfs/dbraw/zinc/87/42/12/307874212.db2.gz HKDMLOYRCVQKKY-VXGBXAGGSA-N 1 2 329.354 3.352 20 70 EGIDLO CN(Cc1nccn1Cc1ccccc1)c1cc(NCC2CC2)[nH+]cn1 ZINC000159727020 307878475 /nfs/dbraw/zinc/87/84/75/307878475.db2.gz JBXZCQSLDSCZFK-UHFFFAOYSA-N 1 2 348.454 3.180 20 70 EGIDLO Cc1nc2[nH]c(SCCn3cc[nH+]c3)nc2cc1Br ZINC000160197313 307886236 /nfs/dbraw/zinc/88/62/36/307886236.db2.gz IECBSDBLZRZCIT-UHFFFAOYSA-N 1 2 338.234 3.018 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccccc2OC(F)(F)F)n1 ZINC000160660290 455485403 /nfs/dbraw/zinc/48/54/03/455485403.db2.gz UGLFCABULMVAED-UHFFFAOYSA-N 1 2 341.333 3.275 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)n1 ZINC000160660290 455485407 /nfs/dbraw/zinc/48/54/07/455485407.db2.gz UGLFCABULMVAED-UHFFFAOYSA-N 1 2 341.333 3.275 20 70 EGIDLO c1coc(Cn2c(SCCn3cc[nH+]c3)nnc2-c2ccco2)c1 ZINC000160187533 455436255 /nfs/dbraw/zinc/43/62/55/455436255.db2.gz YFIGZGCFUUUKKL-UHFFFAOYSA-N 1 2 341.396 3.168 20 70 EGIDLO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160935271 455515790 /nfs/dbraw/zinc/51/57/90/455515790.db2.gz RTYTVFIZTBSVPK-GUDVDZBRSA-N 1 2 341.499 3.332 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160949435 455516777 /nfs/dbraw/zinc/51/67/77/455516777.db2.gz IUVWCJCZMPEDGQ-HOTGVXAUSA-N 1 2 341.480 3.472 20 70 EGIDLO Cc1nc2ccccn2c1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000160985659 455521031 /nfs/dbraw/zinc/52/10/31/455521031.db2.gz GICYYAWWOSQAAN-UHFFFAOYSA-N 1 2 342.393 3.243 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000161136771 455537796 /nfs/dbraw/zinc/53/77/96/455537796.db2.gz NAILFEWYFRSXPX-UHFFFAOYSA-N 1 2 335.455 3.117 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000161136771 455537801 /nfs/dbraw/zinc/53/78/01/455537801.db2.gz NAILFEWYFRSXPX-UHFFFAOYSA-N 1 2 335.455 3.117 20 70 EGIDLO CCc1nc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)no1 ZINC000161387776 455566109 /nfs/dbraw/zinc/56/61/09/455566109.db2.gz KLJVOUYXOYAZER-UHFFFAOYSA-N 1 2 325.416 3.087 20 70 EGIDLO CCc1nc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)no1 ZINC000161387776 455566113 /nfs/dbraw/zinc/56/61/13/455566113.db2.gz KLJVOUYXOYAZER-UHFFFAOYSA-N 1 2 325.416 3.087 20 70 EGIDLO CC(C)c1ccccc1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159972952 528198538 /nfs/dbraw/zinc/19/85/38/528198538.db2.gz AUFPLNHHMTUXEU-OAHLLOKOSA-N 1 2 336.501 3.202 20 70 EGIDLO C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1ccncc1 ZINC000160166033 546944515 /nfs/dbraw/zinc/94/45/15/546944515.db2.gz UEJNQIXPIIFNLL-INIZCTEOSA-N 1 2 339.439 3.046 20 70 EGIDLO CSc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159965014 533050001 /nfs/dbraw/zinc/05/00/01/533050001.db2.gz JTRMUKQULYQCON-CYBMUJFWSA-N 1 2 328.441 3.204 20 70 EGIDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC2(CCC2)C1)c1cccc(F)c1 ZINC000159473402 225224697 /nfs/dbraw/zinc/22/46/97/225224697.db2.gz GYBMVEVFXHTMHU-MRXNPFEDSA-N 1 2 342.418 3.234 20 70 EGIDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000159849469 225289659 /nfs/dbraw/zinc/28/96/59/225289659.db2.gz WGZQKPKXNOYPCT-CYBMUJFWSA-N 1 2 330.819 3.444 20 70 EGIDLO O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159919861 225302378 /nfs/dbraw/zinc/30/23/78/225302378.db2.gz GDTXCCDKJGMXIZ-GFCCVEGCSA-N 1 2 334.782 3.275 20 70 EGIDLO Brc1ccc([C@@H]2C[N@H+](CCOCC3CC3)CCO2)cc1 ZINC000159630215 455390675 /nfs/dbraw/zinc/39/06/75/455390675.db2.gz ARLXMPAGKLKBMX-INIZCTEOSA-N 1 2 340.261 3.249 20 70 EGIDLO Brc1ccc([C@@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1 ZINC000159630215 455390679 /nfs/dbraw/zinc/39/06/79/455390679.db2.gz ARLXMPAGKLKBMX-INIZCTEOSA-N 1 2 340.261 3.249 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C(C)(C)C)no2)n1 ZINC000159978023 455418974 /nfs/dbraw/zinc/41/89/74/455418974.db2.gz WHHRYMTYUZMBBZ-HNNXBMFYSA-N 1 2 342.443 3.451 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C(C)(C)C)no2)n1 ZINC000159978023 455418979 /nfs/dbraw/zinc/41/89/79/455418979.db2.gz WHHRYMTYUZMBBZ-HNNXBMFYSA-N 1 2 342.443 3.451 20 70 EGIDLO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Cl)sc1Cl ZINC000160561947 455474971 /nfs/dbraw/zinc/47/49/71/455474971.db2.gz OEYLADMVEUNKLL-RXMQYKEDSA-N 1 2 335.178 3.384 20 70 EGIDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159361837 455372355 /nfs/dbraw/zinc/37/23/55/455372355.db2.gz LMVZJYQXLPJOEW-CYBMUJFWSA-N 1 2 346.450 3.488 20 70 EGIDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159361837 455372357 /nfs/dbraw/zinc/37/23/57/455372357.db2.gz LMVZJYQXLPJOEW-CYBMUJFWSA-N 1 2 346.450 3.488 20 70 EGIDLO Cc1c(C(=O)NCc2cn3cccc(C)c3[nH+]2)cnn1CCC(C)C ZINC000159447866 455376828 /nfs/dbraw/zinc/37/68/28/455376828.db2.gz PBJMMWPLPOEMKR-UHFFFAOYSA-N 1 2 339.443 3.124 20 70 EGIDLO Cc1cc(C)cc(CCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000159480256 455379696 /nfs/dbraw/zinc/37/96/96/455379696.db2.gz BCYCVVNTAMJQLM-LJQANCHMSA-N 1 2 339.483 3.451 20 70 EGIDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000160884228 455508199 /nfs/dbraw/zinc/50/81/99/455508199.db2.gz PLUWGMMURIPFFG-YOEHRIQHSA-N 1 2 336.863 3.114 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000161094693 455533012 /nfs/dbraw/zinc/53/30/12/455533012.db2.gz PKVXDHNRMGIZDI-UHFFFAOYSA-N 1 2 331.807 3.146 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000161094693 455533015 /nfs/dbraw/zinc/53/30/15/455533015.db2.gz PKVXDHNRMGIZDI-UHFFFAOYSA-N 1 2 331.807 3.146 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000161108144 455534910 /nfs/dbraw/zinc/53/49/10/455534910.db2.gz PNLCCZKZLINXJI-HUUCEWRRSA-N 1 2 329.469 3.052 20 70 EGIDLO CCN(CC)c1ccc(CNC(=O)NC[C@@]2(C)CCCS2)c[nH+]1 ZINC000160068020 528304366 /nfs/dbraw/zinc/30/43/66/528304366.db2.gz PYRORBISSYXPQU-QGZVFWFLSA-N 1 2 336.505 3.013 20 70 EGIDLO CSc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159965148 225311335 /nfs/dbraw/zinc/31/13/35/225311335.db2.gz JTRMUKQULYQCON-ZDUSSCGKSA-N 1 2 328.441 3.204 20 70 EGIDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601877 455388075 /nfs/dbraw/zinc/38/80/75/455388075.db2.gz RAQVOPDBDVWINH-BFUOFWGJSA-N 1 2 325.412 3.182 20 70 EGIDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159601877 455388078 /nfs/dbraw/zinc/38/80/78/455388078.db2.gz RAQVOPDBDVWINH-BFUOFWGJSA-N 1 2 325.412 3.182 20 70 EGIDLO O=C(NC1(c2ccc(F)cc2F)CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161082820 455530580 /nfs/dbraw/zinc/53/05/80/455530580.db2.gz ZNCZEPNKRGQVDK-ZDUSSCGKSA-N 1 2 345.393 3.309 20 70 EGIDLO COc1c(Cl)cccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161342643 455560775 /nfs/dbraw/zinc/56/07/75/455560775.db2.gz SBURKFWHVUZHQC-GFCCVEGCSA-N 1 2 346.818 3.144 20 70 EGIDLO CC(C)n1ncc2cc(C[N@@H+]3CCO[C@H](c4nccs4)C3)cnc21 ZINC000161449076 455571239 /nfs/dbraw/zinc/57/12/39/455571239.db2.gz XOMKFLYKEXBSCB-HNNXBMFYSA-N 1 2 343.456 3.042 20 70 EGIDLO CC(C)n1ncc2cc(C[N@H+]3CCO[C@H](c4nccs4)C3)cnc21 ZINC000161449076 455571245 /nfs/dbraw/zinc/57/12/45/455571245.db2.gz XOMKFLYKEXBSCB-HNNXBMFYSA-N 1 2 343.456 3.042 20 70 EGIDLO Cc1n[nH]c(C)c1C[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000161466765 455572809 /nfs/dbraw/zinc/57/28/09/455572809.db2.gz NUFGQHXVNJUTTN-UHFFFAOYSA-N 1 2 341.242 3.404 20 70 EGIDLO Cc1n[nH]c(C)c1C[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000161466765 455572810 /nfs/dbraw/zinc/57/28/10/455572810.db2.gz NUFGQHXVNJUTTN-UHFFFAOYSA-N 1 2 341.242 3.404 20 70 EGIDLO O=C(Nc1c(F)cccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000217313342 456032643 /nfs/dbraw/zinc/03/26/43/456032643.db2.gz FVNGGYYVLMQHDX-UHFFFAOYSA-N 1 2 334.782 3.228 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000160291954 534487023 /nfs/dbraw/zinc/48/70/23/534487023.db2.gz DJRBITCJVBPXCT-LSDHHAIUSA-N 1 2 325.437 3.167 20 70 EGIDLO Cc1ccccc1-c1noc([C@H](C)SCC[NH+]2CCOCC2)n1 ZINC000159769980 225274384 /nfs/dbraw/zinc/27/43/84/225274384.db2.gz ZNARFWJIANRKJF-AWEZNQCLSA-N 1 2 333.457 3.171 20 70 EGIDLO c1sc(CCc2ccccc2)nc1CSCC[NH+]1CCOCC1 ZINC000160036342 307883918 /nfs/dbraw/zinc/88/39/18/307883918.db2.gz WNSYCNBYVLEOKH-UHFFFAOYSA-N 1 2 348.537 3.494 20 70 EGIDLO CCOCCC[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000159951430 455418704 /nfs/dbraw/zinc/41/87/04/455418704.db2.gz MYBXGQDEDUJOKW-OAHLLOKOSA-N 1 2 328.250 3.249 20 70 EGIDLO CCOCCC[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000159951430 455418705 /nfs/dbraw/zinc/41/87/05/455418705.db2.gz MYBXGQDEDUJOKW-OAHLLOKOSA-N 1 2 328.250 3.249 20 70 EGIDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cccc(F)c1F ZINC000159477181 455379143 /nfs/dbraw/zinc/37/91/43/455379143.db2.gz HKDMLOYRCVQKKY-NEPJUHHUSA-N 1 2 329.354 3.352 20 70 EGIDLO C[NH+](C)[C@@H](CNC(=O)NCC1(C2CC2)CC1)c1c(F)cccc1F ZINC000159913434 455414692 /nfs/dbraw/zinc/41/46/92/455414692.db2.gz UAUPGJXQGJGUIO-HNNXBMFYSA-N 1 2 337.414 3.057 20 70 EGIDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1c[nH]nc1C ZINC000160680765 455486701 /nfs/dbraw/zinc/48/67/01/455486701.db2.gz OVMRGLSKBVMDCK-UHFFFAOYSA-N 1 2 340.349 3.198 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1c[nH]nc1C ZINC000160680765 455486707 /nfs/dbraw/zinc/48/67/07/455486707.db2.gz OVMRGLSKBVMDCK-UHFFFAOYSA-N 1 2 340.349 3.198 20 70 EGIDLO CSc1ccccc1NC(=O)CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000160714324 455490816 /nfs/dbraw/zinc/49/08/16/455490816.db2.gz JKEIYHSJIDCGDP-UHFFFAOYSA-N 1 2 330.457 3.397 20 70 EGIDLO CCOc1cccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)n1 ZINC000160927192 455514910 /nfs/dbraw/zinc/51/49/10/455514910.db2.gz UOCNWZIFKNKBSQ-UHFFFAOYSA-N 1 2 327.428 3.168 20 70 EGIDLO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)n1 ZINC000160927192 455514911 /nfs/dbraw/zinc/51/49/11/455514911.db2.gz UOCNWZIFKNKBSQ-UHFFFAOYSA-N 1 2 327.428 3.168 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCSCC3)cc2C)CC1 ZINC000161159782 455541933 /nfs/dbraw/zinc/54/19/33/455541933.db2.gz XBNHOAQSNJKSBT-UHFFFAOYSA-N 1 2 347.528 3.407 20 70 EGIDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)c1cccnc1 ZINC000161347530 455561316 /nfs/dbraw/zinc/56/13/16/455561316.db2.gz RZBJRLILBMMUAV-OAHLLOKOSA-N 1 2 343.858 3.183 20 70 EGIDLO CC(C)c1cc(C(=O)N(C)Cc2[nH+]ccn2C)nn1-c1ccccc1 ZINC000160202006 528014002 /nfs/dbraw/zinc/01/40/02/528014002.db2.gz YISRGOYOMKWEPW-UHFFFAOYSA-N 1 2 337.427 3.001 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000160112465 529107667 /nfs/dbraw/zinc/10/76/67/529107667.db2.gz GGKSELYAQOKTLB-YOEHRIQHSA-N 1 2 344.463 3.303 20 70 EGIDLO Cc1ccc(Cl)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160030272 225323642 /nfs/dbraw/zinc/32/36/42/225323642.db2.gz FSDVZVTXOWKWHG-AWEZNQCLSA-N 1 2 330.819 3.444 20 70 EGIDLO CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000160461911 455462444 /nfs/dbraw/zinc/46/24/44/455462444.db2.gz CMWSHQXEVXMDIK-AWEZNQCLSA-N 1 2 340.427 3.131 20 70 EGIDLO CC[C@@H](C)OCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000160519016 455468539 /nfs/dbraw/zinc/46/85/39/455468539.db2.gz HHHGNVWFANYLOA-CYBMUJFWSA-N 1 2 325.478 3.129 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000160540761 455471720 /nfs/dbraw/zinc/47/17/20/455471720.db2.gz GAWPDHQTQMPZBB-UHFFFAOYSA-N 1 2 335.469 3.495 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000160540761 455471724 /nfs/dbraw/zinc/47/17/24/455471724.db2.gz GAWPDHQTQMPZBB-UHFFFAOYSA-N 1 2 335.469 3.495 20 70 EGIDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161098302 455533065 /nfs/dbraw/zinc/53/30/65/455533065.db2.gz GFSFMEWAWGRYMU-HNNXBMFYSA-N 1 2 327.428 3.329 20 70 EGIDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161098302 455533067 /nfs/dbraw/zinc/53/30/67/455533067.db2.gz GFSFMEWAWGRYMU-HNNXBMFYSA-N 1 2 327.428 3.329 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160350082 534486363 /nfs/dbraw/zinc/48/63/63/534486363.db2.gz CJSMSCTYZYXHJR-JKSUJKDBSA-N 1 2 341.480 3.472 20 70 EGIDLO CCCNC(=O)C[N@H+](CCC)Cc1ncc(-c2ccccc2F)o1 ZINC000159422352 528383941 /nfs/dbraw/zinc/38/39/41/528383941.db2.gz XMIKRFMUFCFGHC-UHFFFAOYSA-N 1 2 333.407 3.219 20 70 EGIDLO CCCNC(=O)C[N@@H+](CCC)Cc1ncc(-c2ccccc2F)o1 ZINC000159422352 528383947 /nfs/dbraw/zinc/38/39/47/528383947.db2.gz XMIKRFMUFCFGHC-UHFFFAOYSA-N 1 2 333.407 3.219 20 70 EGIDLO CCCOc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160203471 528773614 /nfs/dbraw/zinc/77/36/14/528773614.db2.gz FPKRPDZVYSCNFA-HNNXBMFYSA-N 1 2 340.427 3.271 20 70 EGIDLO C[C@@](O)(CNc1nc(N)c2ccccc2[nH+]1)c1ccccc1Cl ZINC000160180093 225355263 /nfs/dbraw/zinc/35/52/63/225355263.db2.gz DFWXCKWWHMLJLK-QGZVFWFLSA-N 1 2 328.803 3.185 20 70 EGIDLO O=C(Nc1ccc(Cl)c(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160907828 225502925 /nfs/dbraw/zinc/50/29/25/225502925.db2.gz YJVLSSVPCOFRKZ-GFCCVEGCSA-N 1 2 334.782 3.275 20 70 EGIDLO CC[N@H+](CCc1nccs1)Cc1nnc(Cc2ccccc2C)o1 ZINC000159373946 455372878 /nfs/dbraw/zinc/37/28/78/455372878.db2.gz PODIENSFJRJFMG-UHFFFAOYSA-N 1 2 342.468 3.490 20 70 EGIDLO CC[N@@H+](CCc1nccs1)Cc1nnc(Cc2ccccc2C)o1 ZINC000159373946 455372883 /nfs/dbraw/zinc/37/28/83/455372883.db2.gz PODIENSFJRJFMG-UHFFFAOYSA-N 1 2 342.468 3.490 20 70 EGIDLO O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160142584 455432116 /nfs/dbraw/zinc/43/21/16/455432116.db2.gz FTKJAULDFIOBHF-LBPRGKRZSA-N 1 2 347.378 3.221 20 70 EGIDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC2(CCC2)C1 ZINC000159898247 455413464 /nfs/dbraw/zinc/41/34/64/455413464.db2.gz DEWAXFXPJKDXFI-UHFFFAOYSA-N 1 2 338.455 3.060 20 70 EGIDLO CCS[C@H](C)c1noc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160929865 455515197 /nfs/dbraw/zinc/51/51/97/455515197.db2.gz WNKZGHPSFUGDBT-XJKCOSOUSA-N 1 2 325.478 3.011 20 70 EGIDLO CCS[C@H](C)c1noc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160929865 455515199 /nfs/dbraw/zinc/51/51/99/455515199.db2.gz WNKZGHPSFUGDBT-XJKCOSOUSA-N 1 2 325.478 3.011 20 70 EGIDLO Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000161158105 455541067 /nfs/dbraw/zinc/54/10/67/455541067.db2.gz IIAXFSOCTXKHDF-UHFFFAOYSA-N 1 2 336.233 3.164 20 70 EGIDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@H]1C ZINC000160033481 533982847 /nfs/dbraw/zinc/98/28/47/533982847.db2.gz YFWSCGPTVKAISK-CPUCHLNUSA-N 1 2 344.434 3.336 20 70 EGIDLO C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C ZINC000159626675 533991721 /nfs/dbraw/zinc/99/17/21/533991721.db2.gz IEUGUQNGLBHSIR-CVEARBPZSA-N 1 2 331.460 3.029 20 70 EGIDLO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159929036 534830172 /nfs/dbraw/zinc/83/01/72/534830172.db2.gz PNTVNOVAVNSWMD-LBPRGKRZSA-N 1 2 334.782 3.275 20 70 EGIDLO C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1ccncc1 ZINC000160166189 546944399 /nfs/dbraw/zinc/94/43/99/546944399.db2.gz UEJNQIXPIIFNLL-MRXNPFEDSA-N 1 2 339.439 3.046 20 70 EGIDLO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000161150726 546953604 /nfs/dbraw/zinc/95/36/04/546953604.db2.gz SSSZRRGCSWKTBT-AWEZNQCLSA-N 1 2 338.498 3.258 20 70 EGIDLO CS(=O)(=O)CCCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000161150726 546953612 /nfs/dbraw/zinc/95/36/12/546953612.db2.gz SSSZRRGCSWKTBT-AWEZNQCLSA-N 1 2 338.498 3.258 20 70 EGIDLO COc1ccc(C2(C[NH2+][C@H](C)C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000160818620 533426057 /nfs/dbraw/zinc/42/60/57/533426057.db2.gz ZUKSZVVFZDONKV-OAHLLOKOSA-N 1 2 349.471 3.063 20 70 EGIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000159492383 225228204 /nfs/dbraw/zinc/22/82/04/225228204.db2.gz AQGQNOWGKQGOGP-IUODEOHRSA-N 1 2 335.473 3.073 20 70 EGIDLO CC[N@H+](Cc1ccc(C)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159915108 455415630 /nfs/dbraw/zinc/41/56/30/455415630.db2.gz GFEBKOPCGGDFQD-UHFFFAOYSA-N 1 2 325.387 3.393 20 70 EGIDLO CC[N@@H+](Cc1ccc(C)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159915108 455415632 /nfs/dbraw/zinc/41/56/32/455415632.db2.gz GFEBKOPCGGDFQD-UHFFFAOYSA-N 1 2 325.387 3.393 20 70 EGIDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccsc1 ZINC000160690567 455487941 /nfs/dbraw/zinc/48/79/41/455487941.db2.gz XRGJPKORSAMXMS-CABCVRRESA-N 1 2 329.469 3.152 20 70 EGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000159401309 455374503 /nfs/dbraw/zinc/37/45/03/455374503.db2.gz DYLWZMVWWPSBBA-CQSZACIVSA-N 1 2 329.831 3.290 20 70 EGIDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159498293 455380443 /nfs/dbraw/zinc/38/04/43/455380443.db2.gz BVDOUOBHNOUSKE-ZDUSSCGKSA-N 1 2 331.489 3.114 20 70 EGIDLO C[C@H]1CCC[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000159649671 455392247 /nfs/dbraw/zinc/39/22/47/455392247.db2.gz NJJHWKJZCOXKOB-WMZOPIPTSA-N 1 2 325.456 3.416 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000160111958 455429953 /nfs/dbraw/zinc/42/99/53/455429953.db2.gz SYMDFXIHEJNXLQ-INIZCTEOSA-N 1 2 343.431 3.072 20 70 EGIDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160126018 455430394 /nfs/dbraw/zinc/43/03/94/455430394.db2.gz RHJUYFUPIVEKFU-AWEZNQCLSA-N 1 2 345.418 3.217 20 70 EGIDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160126018 455430399 /nfs/dbraw/zinc/43/03/99/455430399.db2.gz RHJUYFUPIVEKFU-AWEZNQCLSA-N 1 2 345.418 3.217 20 70 EGIDLO O=C(Nc1nc(-c2ccccc2F)cs1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160314294 455447255 /nfs/dbraw/zinc/44/72/55/455447255.db2.gz IEFRYYZKEZGBDP-LLVKDONJSA-N 1 2 342.399 3.347 20 70 EGIDLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)[nH+]1 ZINC000160626196 455481388 /nfs/dbraw/zinc/48/13/88/455481388.db2.gz VPIVWELQBPNVHX-HZPDHXFCSA-N 1 2 341.459 3.393 20 70 EGIDLO CC(C)c1nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000160626196 455481391 /nfs/dbraw/zinc/48/13/91/455481391.db2.gz VPIVWELQBPNVHX-HZPDHXFCSA-N 1 2 341.459 3.393 20 70 EGIDLO Oc1ccc(C2CC[NH+](Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000160741057 455494109 /nfs/dbraw/zinc/49/41/09/455494109.db2.gz BVIQFTMQTJRJTG-UHFFFAOYSA-N 1 2 343.427 3.049 20 70 EGIDLO COC(=O)c1csc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000161144187 455538911 /nfs/dbraw/zinc/53/89/11/455538911.db2.gz FSMLPTANBLRIHW-LLVKDONJSA-N 1 2 334.401 3.017 20 70 EGIDLO Cc1c([C@H](C)[NH2+]Cc2ccc(C)nc2)nnn1-c1ccc(F)cc1 ZINC000161298517 455556352 /nfs/dbraw/zinc/55/63/52/455556352.db2.gz NDAFWZYTLVVUNV-ZDUSSCGKSA-N 1 2 325.391 3.269 20 70 EGIDLO CCc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000161451561 455571533 /nfs/dbraw/zinc/57/15/33/455571533.db2.gz KZOGLRWBKGIJJR-HXUWFJFHSA-N 1 2 338.451 3.052 20 70 EGIDLO COc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000159993775 534134388 /nfs/dbraw/zinc/13/43/88/534134388.db2.gz PRCRDLWTILZNEV-CYBMUJFWSA-N 1 2 346.818 3.144 20 70 EGIDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(CO)o1 ZINC000160904250 455512351 /nfs/dbraw/zinc/51/23/51/455512351.db2.gz GVPHFFLLNRCKNA-UHFFFAOYSA-N 1 2 343.210 3.149 20 70 EGIDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(CO)o1 ZINC000160904250 455512358 /nfs/dbraw/zinc/51/23/58/455512358.db2.gz GVPHFFLLNRCKNA-UHFFFAOYSA-N 1 2 343.210 3.149 20 70 EGIDLO CCCC[N@H+](Cc1cccc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000160788739 455498792 /nfs/dbraw/zinc/49/87/92/455498792.db2.gz BSAKHBMNBPQFGP-ZDUSSCGKSA-N 1 2 333.856 3.268 20 70 EGIDLO CCCC[N@@H+](Cc1cccc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000160788739 455498799 /nfs/dbraw/zinc/49/87/99/455498799.db2.gz BSAKHBMNBPQFGP-ZDUSSCGKSA-N 1 2 333.856 3.268 20 70 EGIDLO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 ZINC000159773309 455403122 /nfs/dbraw/zinc/40/31/22/455403122.db2.gz UDEHPILSNCHJCP-UHFFFAOYSA-N 1 2 343.423 3.279 20 70 EGIDLO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 ZINC000159773309 455403128 /nfs/dbraw/zinc/40/31/28/455403128.db2.gz UDEHPILSNCHJCP-UHFFFAOYSA-N 1 2 343.423 3.279 20 70 EGIDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160109760 455429732 /nfs/dbraw/zinc/42/97/32/455429732.db2.gz GONDHRTVWRGGDF-GFCCVEGCSA-N 1 2 338.238 3.411 20 70 EGIDLO Cc1cc(C)c(-c2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n[nH]2)cc1C ZINC000160284860 455444963 /nfs/dbraw/zinc/44/49/63/455444963.db2.gz WHFRDDSPNHUEIN-OAHLLOKOSA-N 1 2 349.438 3.400 20 70 EGIDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000160884626 455508583 /nfs/dbraw/zinc/50/85/83/455508583.db2.gz PLUWGMMURIPFFG-RHSMWYFYSA-N 1 2 336.863 3.114 20 70 EGIDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)Cc2cccc(F)c2)c1 ZINC000160907039 455512275 /nfs/dbraw/zinc/51/22/75/455512275.db2.gz YJTSWKVMZGFMQM-UHFFFAOYSA-N 1 2 345.399 3.168 20 70 EGIDLO CCOc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000161145255 455539820 /nfs/dbraw/zinc/53/98/20/455539820.db2.gz FVAUHPPFRSOBON-AWEZNQCLSA-N 1 2 344.390 3.020 20 70 EGIDLO CC[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000161356527 455562169 /nfs/dbraw/zinc/56/21/69/455562169.db2.gz FQYTTYYAGJUVKH-SJORKVTESA-N 1 2 327.403 3.109 20 70 EGIDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159451196 534745270 /nfs/dbraw/zinc/74/52/70/534745270.db2.gz QZRYUQMMUFLEHQ-MRXNPFEDSA-N 1 2 325.412 3.094 20 70 EGIDLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccncc1 ZINC000160098726 546943504 /nfs/dbraw/zinc/94/35/04/546943504.db2.gz NEOVEECSJXKUDL-INIZCTEOSA-N 1 2 338.455 3.277 20 70 EGIDLO C[C@H](CC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)c1ccncc1 ZINC000160887708 546951657 /nfs/dbraw/zinc/95/16/57/546951657.db2.gz OEZFXPWKTLQBMD-QGZVFWFLSA-N 1 2 348.450 3.479 20 70 EGIDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159361715 455372401 /nfs/dbraw/zinc/37/24/01/455372401.db2.gz LMVZJYQXLPJOEW-ZDUSSCGKSA-N 1 2 346.450 3.488 20 70 EGIDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159361715 455372402 /nfs/dbraw/zinc/37/24/02/455372402.db2.gz LMVZJYQXLPJOEW-ZDUSSCGKSA-N 1 2 346.450 3.488 20 70 EGIDLO O=C(NCCn1cc[nH+]c1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000159790126 455403638 /nfs/dbraw/zinc/40/36/38/455403638.db2.gz RBSWQUNGCKMJFA-UHFFFAOYSA-N 1 2 326.787 3.029 20 70 EGIDLO CCc1ccc([C@@H]2COCCN2Cc2c(C)[nH+]c3ccccn32)o1 ZINC000160507538 455467581 /nfs/dbraw/zinc/46/75/81/455467581.db2.gz LESRWUJUVUUOJQ-KRWDZBQOSA-N 1 2 325.412 3.372 20 70 EGIDLO CC[C@H](C)OCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000160516522 455468796 /nfs/dbraw/zinc/46/87/96/455468796.db2.gz UNKRVFDVXJDYGT-STQMWFEESA-N 1 2 325.478 3.129 20 70 EGIDLO CC[C@H](C)OCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000160516522 455468801 /nfs/dbraw/zinc/46/88/01/455468801.db2.gz UNKRVFDVXJDYGT-STQMWFEESA-N 1 2 325.478 3.129 20 70 EGIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1ccccc1F ZINC000160732377 455493001 /nfs/dbraw/zinc/49/30/01/455493001.db2.gz KHKPHKWLCQVLJU-UHFFFAOYSA-N 1 2 345.340 3.441 20 70 EGIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1ccccc1F ZINC000160732377 455493008 /nfs/dbraw/zinc/49/30/08/455493008.db2.gz KHKPHKWLCQVLJU-UHFFFAOYSA-N 1 2 345.340 3.441 20 70 EGIDLO CC(C)n1nccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000160839912 455504840 /nfs/dbraw/zinc/50/48/40/455504840.db2.gz VGRMNHYVCKFJDO-UHFFFAOYSA-N 1 2 347.488 3.405 20 70 EGIDLO CC(C)n1nccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000160838694 455503559 /nfs/dbraw/zinc/50/35/59/455503559.db2.gz JYNXYWGJDNMAQJ-ZDUSSCGKSA-N 1 2 347.488 3.405 20 70 EGIDLO CC(C)n1nccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000160838694 455503564 /nfs/dbraw/zinc/50/35/64/455503564.db2.gz JYNXYWGJDNMAQJ-ZDUSSCGKSA-N 1 2 347.488 3.405 20 70 EGIDLO CC(C)Oc1cncc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159698771 455396742 /nfs/dbraw/zinc/39/67/42/455396742.db2.gz UHOYJIJQBDZQNG-UHFFFAOYSA-N 1 2 337.427 3.145 20 70 EGIDLO c1sc(Cc2ccccc2)nc1CSCC[NH+]1CCOCC1 ZINC000159778164 455402714 /nfs/dbraw/zinc/40/27/14/455402714.db2.gz HPHJURPAAGTPRO-UHFFFAOYSA-N 1 2 334.510 3.299 20 70 EGIDLO Cc1cccc([C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000159997571 455421541 /nfs/dbraw/zinc/42/15/41/455421541.db2.gz ZKRMCZCBYVEZCB-PXNSSMCTSA-N 1 2 346.434 3.055 20 70 EGIDLO CC(C)(C)c1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)s1 ZINC000160405738 455455013 /nfs/dbraw/zinc/45/50/13/455455013.db2.gz QAVKDSWXUJXPOD-UHFFFAOYSA-N 1 2 338.454 3.028 20 70 EGIDLO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160723310 455491743 /nfs/dbraw/zinc/49/17/43/455491743.db2.gz QJCNOLJIGJLEIO-ZDUSSCGKSA-N 1 2 348.353 3.083 20 70 EGIDLO CC(C)n1cc[nH+]c1CN1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000160748405 455494915 /nfs/dbraw/zinc/49/49/15/455494915.db2.gz ZBHHBXDODLLPGA-UHFFFAOYSA-N 1 2 346.862 3.075 20 70 EGIDLO O=C(Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161054258 455528217 /nfs/dbraw/zinc/52/82/17/455528217.db2.gz BVWOLIGGCJUTBB-CQSZACIVSA-N 1 2 334.379 3.272 20 70 EGIDLO C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000161389032 455566013 /nfs/dbraw/zinc/56/60/13/455566013.db2.gz ZEMPFXCMWJYZLG-SJORKVTESA-N 1 2 345.487 3.419 20 70 EGIDLO Cc1nc(Cl)ccc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159764289 534429893 /nfs/dbraw/zinc/42/98/93/534429893.db2.gz WWXOWYJTOXDDGD-UHFFFAOYSA-N 1 2 345.830 3.128 20 70 EGIDLO CC1CCN(c2cccc(NC(=O)NCCCn3cc[nH+]c3)c2)CC1 ZINC000159728309 528269688 /nfs/dbraw/zinc/26/96/88/528269688.db2.gz OLBXASDSLLRAEB-UHFFFAOYSA-N 1 2 341.459 3.331 20 70 EGIDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000161406839 546956201 /nfs/dbraw/zinc/95/62/01/546956201.db2.gz MTXQHBVCUULXFG-UHFFFAOYSA-N 1 2 344.846 3.393 20 70 EGIDLO O=C(/C=C/c1ccnc2ccccc12)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161288928 152774757 /nfs/dbraw/zinc/77/47/57/152774757.db2.gz HZBXBLPJPKMAQA-KBOKABMXSA-N 1 2 344.418 3.038 20 70 EGIDLO C[C@H](CCn1cccn1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159429679 225214923 /nfs/dbraw/zinc/21/49/23/225214923.db2.gz JJRCBNDEEGWNOM-MRXNPFEDSA-N 1 2 325.416 3.049 20 70 EGIDLO O=C(Nc1ccc(F)c(Cl)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159919707 225302366 /nfs/dbraw/zinc/30/23/66/225302366.db2.gz GDTXCCDKJGMXIZ-LBPRGKRZSA-N 1 2 334.782 3.275 20 70 EGIDLO COC(=O)CCN(Cc1cccc(F)c1F)c1cc[nH+]c(C2CC2)n1 ZINC000161347769 307901841 /nfs/dbraw/zinc/90/18/41/307901841.db2.gz PNVOGDUJRVZSLY-UHFFFAOYSA-N 1 2 347.365 3.202 20 70 EGIDLO O=C(Nc1ccccc1OC(F)F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160039283 455423256 /nfs/dbraw/zinc/42/32/56/455423256.db2.gz OMMKUMMIEIEMPO-GFCCVEGCSA-N 1 2 348.353 3.083 20 70 EGIDLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160042105 455423812 /nfs/dbraw/zinc/42/38/12/455423812.db2.gz QNNCRHZZWUJDRT-INIZCTEOSA-N 1 2 329.469 3.213 20 70 EGIDLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160042105 455423815 /nfs/dbraw/zinc/42/38/15/455423815.db2.gz QNNCRHZZWUJDRT-INIZCTEOSA-N 1 2 329.469 3.213 20 70 EGIDLO Cc1ccoc1C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000159960978 455418179 /nfs/dbraw/zinc/41/81/79/455418179.db2.gz BFFLZYFRBQMZCE-UHFFFAOYSA-N 1 2 326.440 3.210 20 70 EGIDLO CCCCn1ncc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000160112091 455429368 /nfs/dbraw/zinc/42/93/68/455429368.db2.gz SYMDFXIHEJNXLQ-MRXNPFEDSA-N 1 2 343.431 3.072 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000160597578 455478398 /nfs/dbraw/zinc/47/83/98/455478398.db2.gz WVCTWYKVHQSACJ-UHFFFAOYSA-N 1 2 325.449 3.128 20 70 EGIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000160597578 455478402 /nfs/dbraw/zinc/47/84/02/455478402.db2.gz WVCTWYKVHQSACJ-UHFFFAOYSA-N 1 2 325.449 3.128 20 70 EGIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)c2ccc3c(c2)OCO3)c1 ZINC000160629771 455481805 /nfs/dbraw/zinc/48/18/05/455481805.db2.gz IXNSCOZENKBKSB-UHFFFAOYSA-N 1 2 335.363 3.186 20 70 EGIDLO CC(C)[NH+](CCSCc1nc(=O)c2sccc2[nH]1)C(C)C ZINC000160931422 455514947 /nfs/dbraw/zinc/51/49/47/455514947.db2.gz BBPSLPIRERSGAM-UHFFFAOYSA-N 1 2 325.503 3.337 20 70 EGIDLO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160934970 455516021 /nfs/dbraw/zinc/51/60/21/455516021.db2.gz RTYTVFIZTBSVPK-IPMKNSEASA-N 1 2 341.499 3.332 20 70 EGIDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161126979 455537032 /nfs/dbraw/zinc/53/70/32/455537032.db2.gz VYBURMGVWGIKLV-AWEZNQCLSA-N 1 2 348.878 3.115 20 70 EGIDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161126979 455537036 /nfs/dbraw/zinc/53/70/36/455537036.db2.gz VYBURMGVWGIKLV-AWEZNQCLSA-N 1 2 348.878 3.115 20 70 EGIDLO Cc1nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc[nH+]1 ZINC000161334221 455560037 /nfs/dbraw/zinc/56/00/37/455560037.db2.gz QVCGHBMQRACAMV-SFHVURJKSA-N 1 2 332.407 3.447 20 70 EGIDLO CCC(CC)n1nccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000161483873 455573989 /nfs/dbraw/zinc/57/39/89/455573989.db2.gz ZEXRBMBRTFKLTI-UHFFFAOYSA-N 1 2 341.459 3.169 20 70 EGIDLO CC(C)(C)[N@H+](CC(N)=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000160327394 526279683 /nfs/dbraw/zinc/27/96/83/526279683.db2.gz DEZQZXJXMCCEDY-UHFFFAOYSA-N 1 2 339.411 3.174 20 70 EGIDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000160327394 526279691 /nfs/dbraw/zinc/27/96/91/526279691.db2.gz DEZQZXJXMCCEDY-UHFFFAOYSA-N 1 2 339.411 3.174 20 70 EGIDLO CCN(CC)c1ccc(CNC(=O)NC[C@]2(C)CCCS2)c[nH+]1 ZINC000160067919 528304701 /nfs/dbraw/zinc/30/47/01/528304701.db2.gz PYRORBISSYXPQU-KRWDZBQOSA-N 1 2 336.505 3.013 20 70 EGIDLO CCC[C@H]1CCc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000161075249 528384703 /nfs/dbraw/zinc/38/47/03/528384703.db2.gz TXIGPTCVGVBHNO-STQMWFEESA-N 1 2 344.484 3.446 20 70 EGIDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(F)n3)n2)C1 ZINC000159423968 225215292 /nfs/dbraw/zinc/21/52/92/225215292.db2.gz XNTGFXJMGKNXKO-LLVKDONJSA-N 1 2 334.420 3.161 20 70 EGIDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(F)n3)n2)C1 ZINC000159423968 225215297 /nfs/dbraw/zinc/21/52/97/225215297.db2.gz XNTGFXJMGKNXKO-LLVKDONJSA-N 1 2 334.420 3.161 20 70 EGIDLO C[C@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCc2ccccc21 ZINC000159550350 307875678 /nfs/dbraw/zinc/87/56/78/307875678.db2.gz YSZVSYSGFVDVLH-QFIPXVFZSA-N 1 2 349.478 3.020 20 70 EGIDLO CCc1ccc(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000159647237 307877051 /nfs/dbraw/zinc/87/70/51/307877051.db2.gz YWOBCZUBSHUWIS-UHFFFAOYSA-N 1 2 347.462 3.395 20 70 EGIDLO CCCC1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC1 ZINC000160065768 307884209 /nfs/dbraw/zinc/88/42/09/307884209.db2.gz QMELVWYKNLBFKG-UHFFFAOYSA-N 1 2 330.476 3.451 20 70 EGIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000160689897 455488010 /nfs/dbraw/zinc/48/80/10/455488010.db2.gz YPFAHYJIILNKFB-HUUCEWRRSA-N 1 2 329.469 3.152 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2cccs2)n1 ZINC000159898810 455413888 /nfs/dbraw/zinc/41/38/88/455413888.db2.gz RXRDFFFMCFXQFM-HOCLYGCPSA-N 1 2 329.469 3.466 20 70 EGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2cccs2)n1 ZINC000159898810 455413892 /nfs/dbraw/zinc/41/38/92/455413892.db2.gz RXRDFFFMCFXQFM-HOCLYGCPSA-N 1 2 329.469 3.466 20 70 EGIDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000160727251 455491840 /nfs/dbraw/zinc/49/18/40/455491840.db2.gz ARBDQMRLFJRMEB-LJQANCHMSA-N 1 2 342.487 3.220 20 70 EGIDLO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000160727251 455491842 /nfs/dbraw/zinc/49/18/42/455491842.db2.gz ARBDQMRLFJRMEB-LJQANCHMSA-N 1 2 342.487 3.220 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2cc(Br)cs2)n1 ZINC000160864130 455506734 /nfs/dbraw/zinc/50/67/34/455506734.db2.gz NZFIFXJTRRGCBY-UHFFFAOYSA-N 1 2 342.262 3.201 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2cc(Br)cs2)n1 ZINC000160864130 455506738 /nfs/dbraw/zinc/50/67/38/455506738.db2.gz NZFIFXJTRRGCBY-UHFFFAOYSA-N 1 2 342.262 3.201 20 70 EGIDLO Cc1c(Br)cccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161158927 455542113 /nfs/dbraw/zinc/54/21/13/455542113.db2.gz ZYMDCEYXXJGIDY-NSHDSACASA-N 1 2 334.217 3.155 20 70 EGIDLO COc1ccccc1N1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000161247157 455552435 /nfs/dbraw/zinc/55/24/35/455552435.db2.gz PCDVISQPTJGQRN-UHFFFAOYSA-N 1 2 329.469 3.351 20 70 EGIDLO Cc1nc(C2([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CCCC2)no1 ZINC000161371247 455563719 /nfs/dbraw/zinc/56/37/19/455563719.db2.gz QZLJYUVDLNSCHB-UHFFFAOYSA-N 1 2 349.818 3.362 20 70 EGIDLO COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159810651 533876642 /nfs/dbraw/zinc/87/66/42/533876642.db2.gz RITBREOHGFXZPL-CYBMUJFWSA-N 1 2 346.818 3.144 20 70 EGIDLO O=C(Nc1cccc(Cl)c1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160194828 534349253 /nfs/dbraw/zinc/34/92/53/534349253.db2.gz RZLSESUUHPPMDQ-LLVKDONJSA-N 1 2 334.782 3.275 20 70 EGIDLO CC1CCN(c2ccc(CNC(=O)N3CCC4(CCC4)C3)c[nH+]2)CC1 ZINC000160060543 528264362 /nfs/dbraw/zinc/26/43/62/528264362.db2.gz AIDNYJDUYMJFIH-UHFFFAOYSA-N 1 2 342.487 3.404 20 70 EGIDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159789145 225278803 /nfs/dbraw/zinc/27/88/03/225278803.db2.gz LEFFGGCDLIYXOO-CYBMUJFWSA-N 1 2 342.892 3.041 20 70 EGIDLO CCn1c(COc2ccc(C)cc2)nnc1SCCn1cc[nH+]c1 ZINC000160188816 225357303 /nfs/dbraw/zinc/35/73/03/225357303.db2.gz ZNWDHBUVGYRUOW-UHFFFAOYSA-N 1 2 343.456 3.174 20 70 EGIDLO CCC(CC)(CC)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159553856 307875546 /nfs/dbraw/zinc/87/55/46/307875546.db2.gz LFPTWRWTOHUAPO-UHFFFAOYSA-N 1 2 332.492 3.125 20 70 EGIDLO CN(c1cc[nH+]c(C2CC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000160437748 455459210 /nfs/dbraw/zinc/45/92/10/455459210.db2.gz SITGBSREYOODJE-UHFFFAOYSA-N 1 2 332.448 3.190 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000160754784 455496007 /nfs/dbraw/zinc/49/60/07/455496007.db2.gz KRZKXENBJYZSKF-UHFFFAOYSA-N 1 2 341.333 3.275 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000160754784 455496012 /nfs/dbraw/zinc/49/60/12/455496012.db2.gz KRZKXENBJYZSKF-UHFFFAOYSA-N 1 2 341.333 3.275 20 70 EGIDLO CC[N@@H+](Cc1ccc2ncccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159891833 455413780 /nfs/dbraw/zinc/41/37/80/455413780.db2.gz JVMCWXNICNFNQX-UHFFFAOYSA-N 1 2 344.418 3.493 20 70 EGIDLO CC[N@H+](Cc1ccc2ncccc2c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159891833 455413781 /nfs/dbraw/zinc/41/37/81/455413781.db2.gz JVMCWXNICNFNQX-UHFFFAOYSA-N 1 2 344.418 3.493 20 70 EGIDLO CC(C)(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000160248487 455442137 /nfs/dbraw/zinc/44/21/37/455442137.db2.gz XDLACBWZDLUWRK-ZDUSSCGKSA-N 1 2 331.847 3.193 20 70 EGIDLO CSc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160439510 455459281 /nfs/dbraw/zinc/45/92/81/455459281.db2.gz LPIBFPRZZGSOSD-CQSZACIVSA-N 1 2 328.441 3.204 20 70 EGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000161107932 455533602 /nfs/dbraw/zinc/53/36/02/455533602.db2.gz PNLCCZKZLINXJI-CABCVRRESA-N 1 2 329.469 3.052 20 70 EGIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1csc(C2CCCCC2)n1 ZINC000161202688 455547273 /nfs/dbraw/zinc/54/72/73/455547273.db2.gz VHLSOYPMPIUOFU-UHFFFAOYSA-N 1 2 339.486 3.039 20 70 EGIDLO O=C(Nc1nnc(CC2CCCCC2)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161411442 455568010 /nfs/dbraw/zinc/56/80/10/455568010.db2.gz WQWPHASWINIYAN-CYBMUJFWSA-N 1 2 345.472 3.059 20 70 EGIDLO C[C@H](C(=O)Nc1nc2c(s1)CCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000217143925 456031477 /nfs/dbraw/zinc/03/14/77/456031477.db2.gz GWBGTIACCGRCAO-CYBMUJFWSA-N 1 2 341.480 3.407 20 70 EGIDLO C[C@H](C(=O)Nc1nc2c(s1)CCCC2)[N@H+]1CCc2ccccc2C1 ZINC000217143925 456031479 /nfs/dbraw/zinc/03/14/79/456031479.db2.gz GWBGTIACCGRCAO-CYBMUJFWSA-N 1 2 341.480 3.407 20 70 EGIDLO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000161150611 546953836 /nfs/dbraw/zinc/95/38/36/546953836.db2.gz SSSZRRGCSWKTBT-CQSZACIVSA-N 1 2 338.498 3.258 20 70 EGIDLO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000161150611 546953839 /nfs/dbraw/zinc/95/38/39/546953839.db2.gz SSSZRRGCSWKTBT-CQSZACIVSA-N 1 2 338.498 3.258 20 70 EGIDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161241855 546954953 /nfs/dbraw/zinc/95/49/53/546954953.db2.gz GXTBJOPLYHOENF-LBPRGKRZSA-N 1 2 326.487 3.114 20 70 EGIDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCCS(C)(=O)=O ZINC000161241855 546954957 /nfs/dbraw/zinc/95/49/57/546954957.db2.gz GXTBJOPLYHOENF-LBPRGKRZSA-N 1 2 326.487 3.114 20 70 EGIDLO CCc1nc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)cs1 ZINC000159441654 529740768 /nfs/dbraw/zinc/74/07/68/529740768.db2.gz VECCNZKVCLOOIQ-GFCCVEGCSA-N 1 2 338.498 3.350 20 70 EGIDLO Cc1nc2ccc(NC(=O)[C@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2o1 ZINC000159584249 455387265 /nfs/dbraw/zinc/38/72/65/455387265.db2.gz AZBUBBOSMAYAFB-JCGVRSQUSA-N 1 2 345.443 3.209 20 70 EGIDLO Cc1nc2ccc(NC(=O)[C@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2o1 ZINC000159584249 455387267 /nfs/dbraw/zinc/38/72/67/455387267.db2.gz AZBUBBOSMAYAFB-JCGVRSQUSA-N 1 2 345.443 3.209 20 70 EGIDLO Cn1cnc2cc(C(=O)Nc3ccc(Oc4cc[nH+]cc4)cc3)cnc21 ZINC000159757264 455400714 /nfs/dbraw/zinc/40/07/14/455400714.db2.gz PBAVNVHRNQYJJT-UHFFFAOYSA-N 1 2 345.362 3.408 20 70 EGIDLO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Cl)sc1Cl ZINC000160561826 455474610 /nfs/dbraw/zinc/47/46/10/455474610.db2.gz OEYLADMVEUNKLL-YFKPBYRVSA-N 1 2 335.178 3.384 20 70 EGIDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000159632809 455391530 /nfs/dbraw/zinc/39/15/30/455391530.db2.gz USIZEEGVJIHPFE-GOSISDBHSA-N 1 2 343.377 3.494 20 70 EGIDLO C[C@]1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCS1 ZINC000159865232 455410561 /nfs/dbraw/zinc/41/05/61/455410561.db2.gz CATUCBMBSAVMNM-OAHLLOKOSA-N 1 2 338.864 3.073 20 70 EGIDLO CCCOc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160617656 455481518 /nfs/dbraw/zinc/48/15/18/455481518.db2.gz FKUCJQJCYOLBAP-MRXNPFEDSA-N 1 2 340.427 3.271 20 70 EGIDLO CCC(CC)n1nccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000160667677 455485828 /nfs/dbraw/zinc/48/58/28/455485828.db2.gz OFZMKOYSKNVKTI-UHFFFAOYSA-N 1 2 346.500 3.264 20 70 EGIDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1C ZINC000160925236 455513848 /nfs/dbraw/zinc/51/38/48/455513848.db2.gz LOVIXYKZZXJYBX-UHFFFAOYSA-N 1 2 328.460 3.207 20 70 EGIDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1C ZINC000160925236 455513850 /nfs/dbraw/zinc/51/38/50/455513850.db2.gz LOVIXYKZZXJYBX-UHFFFAOYSA-N 1 2 328.460 3.207 20 70 EGIDLO CC1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c21 ZINC000161007027 455523104 /nfs/dbraw/zinc/52/31/04/455523104.db2.gz NUWMQSJGVDROPP-GFCCVEGCSA-N 1 2 329.831 3.423 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000161086595 455531554 /nfs/dbraw/zinc/53/15/54/455531554.db2.gz AUTOUXXAXPIDIS-INIZCTEOSA-N 1 2 328.460 3.194 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000161086595 455531560 /nfs/dbraw/zinc/53/15/60/455531560.db2.gz AUTOUXXAXPIDIS-INIZCTEOSA-N 1 2 328.460 3.194 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000161086736 455531676 /nfs/dbraw/zinc/53/16/76/455531676.db2.gz AUTOUXXAXPIDIS-MRXNPFEDSA-N 1 2 328.460 3.194 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000161086736 455531680 /nfs/dbraw/zinc/53/16/80/455531680.db2.gz AUTOUXXAXPIDIS-MRXNPFEDSA-N 1 2 328.460 3.194 20 70 EGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)c2c1cccc2F ZINC000161087831 455531851 /nfs/dbraw/zinc/53/18/51/455531851.db2.gz DNFOBVUBEKAPRD-AWEZNQCLSA-N 1 2 339.414 3.443 20 70 EGIDLO CC(=O)NC1CCC([NH2+]c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000161102711 455533820 /nfs/dbraw/zinc/53/38/20/455533820.db2.gz ODIXDGWWFWHBAA-LADRWXRNSA-N 1 2 332.444 3.104 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161114750 455536519 /nfs/dbraw/zinc/53/65/19/455536519.db2.gz GPOWWJIREVWKKI-HNNXBMFYSA-N 1 2 334.423 3.479 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000161114750 455536522 /nfs/dbraw/zinc/53/65/22/455536522.db2.gz GPOWWJIREVWKKI-HNNXBMFYSA-N 1 2 334.423 3.479 20 70 EGIDLO C[C@@H]1C[C@H](C)CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000161388817 455566001 /nfs/dbraw/zinc/56/60/01/455566001.db2.gz ZEMPFXCMWJYZLG-IAGOWNOFSA-N 1 2 345.487 3.419 20 70 EGIDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000159562128 533879234 /nfs/dbraw/zinc/87/92/34/533879234.db2.gz GOKQINUKSAKOFZ-LBPRGKRZSA-N 1 2 333.819 3.203 20 70 EGIDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000159562128 533879240 /nfs/dbraw/zinc/87/92/40/533879240.db2.gz GOKQINUKSAKOFZ-LBPRGKRZSA-N 1 2 333.819 3.203 20 70 EGIDLO CN(C)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000159876630 307881439 /nfs/dbraw/zinc/88/14/39/307881439.db2.gz ACNXUAWZBDWVQX-UHFFFAOYSA-N 1 2 342.349 3.469 20 70 EGIDLO CCCCn1ncc(NC(=O)NCCCNc2cccc[nH+]2)c1C ZINC000159984158 307883052 /nfs/dbraw/zinc/88/30/52/307883052.db2.gz LYCZRUKCUJIANL-UHFFFAOYSA-N 1 2 330.436 3.010 20 70 EGIDLO COc1c(C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(C)nn1C ZINC000159764956 455401702 /nfs/dbraw/zinc/40/17/02/455401702.db2.gz LDIUGVJRMKZZQT-UHFFFAOYSA-N 1 2 348.878 3.021 20 70 EGIDLO CC[C@H](C)c1cc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)on1 ZINC000160754577 455496425 /nfs/dbraw/zinc/49/64/25/455496425.db2.gz RNDJYDZXRSHHGJ-ZDUSSCGKSA-N 1 2 330.432 3.359 20 70 EGIDLO CC(C)NC(=O)c1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000160832204 455503812 /nfs/dbraw/zinc/50/38/12/455503812.db2.gz QYDZGXRLDGQJSY-UHFFFAOYSA-N 1 2 348.406 3.263 20 70 EGIDLO CCc1nc(C2(NCc3c(C)[nH+]c4ccccn43)CCCC2)no1 ZINC000160842943 455505015 /nfs/dbraw/zinc/50/50/15/455505015.db2.gz CLTUNHLTTXLVTD-UHFFFAOYSA-N 1 2 325.416 3.147 20 70 EGIDLO CCc1nc(C2([NH2+]Cc3c(C)nc4ccccn43)CCCC2)no1 ZINC000160842943 455505020 /nfs/dbraw/zinc/50/50/20/455505020.db2.gz CLTUNHLTTXLVTD-UHFFFAOYSA-N 1 2 325.416 3.147 20 70 EGIDLO COc1cc(F)ccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159536884 455382998 /nfs/dbraw/zinc/38/29/98/455382998.db2.gz QVWQFXZWQYWKFK-ZDUSSCGKSA-N 1 2 346.406 3.054 20 70 EGIDLO COCc1cccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000159670419 455394895 /nfs/dbraw/zinc/39/48/95/455394895.db2.gz DKHVEASHNVJAQS-OAHLLOKOSA-N 1 2 342.443 3.053 20 70 EGIDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160125888 455430959 /nfs/dbraw/zinc/43/09/59/455430959.db2.gz RHJUYFUPIVEKFU-CQSZACIVSA-N 1 2 345.418 3.217 20 70 EGIDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160125888 455430965 /nfs/dbraw/zinc/43/09/65/455430965.db2.gz RHJUYFUPIVEKFU-CQSZACIVSA-N 1 2 345.418 3.217 20 70 EGIDLO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2nncn2C)s1 ZINC000160717134 455490882 /nfs/dbraw/zinc/49/08/82/455490882.db2.gz AXXGJSBXBQGZPS-UHFFFAOYSA-N 1 2 326.469 3.430 20 70 EGIDLO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2nncn2C)s1 ZINC000160717134 455490886 /nfs/dbraw/zinc/49/08/86/455490886.db2.gz AXXGJSBXBQGZPS-UHFFFAOYSA-N 1 2 326.469 3.430 20 70 EGIDLO CCc1nn(C)c(CC)c1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160936202 455515509 /nfs/dbraw/zinc/51/55/09/455515509.db2.gz GCVWWOXRVJQYKM-UHFFFAOYSA-N 1 2 342.487 3.232 20 70 EGIDLO CCc1nn(C)c(CC)c1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000160936202 455515515 /nfs/dbraw/zinc/51/55/15/455515515.db2.gz GCVWWOXRVJQYKM-UHFFFAOYSA-N 1 2 342.487 3.232 20 70 EGIDLO CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cnn(C)c1 ZINC000161098203 455532593 /nfs/dbraw/zinc/53/25/93/455532593.db2.gz WPTFTDOQSAAEQZ-UHFFFAOYSA-N 1 2 328.460 3.178 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cnn(C)c1 ZINC000161098203 455532597 /nfs/dbraw/zinc/53/25/97/455532597.db2.gz WPTFTDOQSAAEQZ-UHFFFAOYSA-N 1 2 328.460 3.178 20 70 EGIDLO O=C(COc1ccc2ccccc2c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161251989 455552898 /nfs/dbraw/zinc/55/28/98/455552898.db2.gz RIHAGGZDKWOSPA-GOSISDBHSA-N 1 2 347.418 3.009 20 70 EGIDLO Cc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1CCC(C)C ZINC000161355859 455561708 /nfs/dbraw/zinc/56/17/08/455561708.db2.gz NVBMXYGGADAZJF-UHFFFAOYSA-N 1 2 344.463 3.303 20 70 EGIDLO C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161473192 455573169 /nfs/dbraw/zinc/57/31/69/455573169.db2.gz FJHPQJPYQOJELB-HOCLYGCPSA-N 1 2 343.858 3.309 20 70 EGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1scnc1C ZINC000160252544 527921192 /nfs/dbraw/zinc/92/11/92/527921192.db2.gz WQBIZTOGPWLNSC-UHFFFAOYSA-N 1 2 325.384 3.190 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1scnc1C ZINC000160252544 527921198 /nfs/dbraw/zinc/92/11/98/527921198.db2.gz WQBIZTOGPWLNSC-UHFFFAOYSA-N 1 2 325.384 3.190 20 70 EGIDLO CC(C)c1nc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)cs1 ZINC000161220717 455549105 /nfs/dbraw/zinc/54/91/05/455549105.db2.gz RSEQCBQKTWTIMO-UHFFFAOYSA-N 1 2 327.475 3.159 20 70 EGIDLO c1csc(CCNc2nnc(SCCn3cc[nH+]c3)s2)c1 ZINC000159750035 455400951 /nfs/dbraw/zinc/40/09/51/455400951.db2.gz RXDWMNLFLDZZGV-UHFFFAOYSA-N 1 2 337.499 3.243 20 70 EGIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc(C2CC2)s1 ZINC000160650546 455484040 /nfs/dbraw/zinc/48/40/40/455484040.db2.gz UANZFMQPCCDGRY-UHFFFAOYSA-N 1 2 345.468 3.490 20 70 EGIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnc(C2CC2)s1 ZINC000160650546 455484044 /nfs/dbraw/zinc/48/40/44/455484044.db2.gz UANZFMQPCCDGRY-UHFFFAOYSA-N 1 2 345.468 3.490 20 70 EGIDLO CN(C)c1ncc(C[N@H+](C)Cc2ccc(Cl)cc2Cl)cn1 ZINC000160902367 455510432 /nfs/dbraw/zinc/51/04/32/455510432.db2.gz NWPMIXJXHSBGLP-UHFFFAOYSA-N 1 2 325.243 3.481 20 70 EGIDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2Cl)cn1 ZINC000160902367 455510436 /nfs/dbraw/zinc/51/04/36/455510436.db2.gz NWPMIXJXHSBGLP-UHFFFAOYSA-N 1 2 325.243 3.481 20 70 EGIDLO CCCCNc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160942075 455515889 /nfs/dbraw/zinc/51/58/89/455515889.db2.gz GEOZTUZERFFEET-UHFFFAOYSA-N 1 2 338.455 3.256 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000161050648 455527845 /nfs/dbraw/zinc/52/78/45/455527845.db2.gz RMYVDPLKDZPPFH-GOSISDBHSA-N 1 2 327.403 3.063 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000161050648 455527849 /nfs/dbraw/zinc/52/78/49/455527849.db2.gz RMYVDPLKDZPPFH-GOSISDBHSA-N 1 2 327.403 3.063 20 70 EGIDLO CCC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161266080 455554261 /nfs/dbraw/zinc/55/42/61/455554261.db2.gz ZZSUYVNRBKWDAB-OALUTQOASA-N 1 2 332.488 3.076 20 70 EGIDLO CCC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000161266080 455554262 /nfs/dbraw/zinc/55/42/62/455554262.db2.gz ZZSUYVNRBKWDAB-OALUTQOASA-N 1 2 332.488 3.076 20 70 EGIDLO CCc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)o1 ZINC000161276781 455554624 /nfs/dbraw/zinc/55/46/24/455554624.db2.gz QPZCRTXCLZGKBJ-RMKNXTFCSA-N 1 2 341.411 3.034 20 70 EGIDLO CCc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000161451442 455571070 /nfs/dbraw/zinc/57/10/70/455571070.db2.gz KZOGLRWBKGIJJR-FQEVSTJZSA-N 1 2 338.451 3.052 20 70 EGIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCOCc2ccccc2)c1 ZINC000161459884 455571904 /nfs/dbraw/zinc/57/19/04/455571904.db2.gz PYOPVXHYADIRRP-UHFFFAOYSA-N 1 2 349.434 3.470 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000160528343 546947874 /nfs/dbraw/zinc/94/78/74/546947874.db2.gz GSFSEDYEDQRYRQ-UHFFFAOYSA-N 1 2 325.334 3.395 20 70 EGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000160528343 546947877 /nfs/dbraw/zinc/94/78/77/546947877.db2.gz GSFSEDYEDQRYRQ-UHFFFAOYSA-N 1 2 325.334 3.395 20 70 EGIDLO C[C@@H](CC(=O)NCc1[nH+]ccn1CCc1ccccc1)c1ccncc1 ZINC000161071190 546952470 /nfs/dbraw/zinc/95/24/70/546952470.db2.gz VIJKNNADORTUJQ-KRWDZBQOSA-N 1 2 348.450 3.331 20 70 EGIDLO COc1cc[nH+]cc1NC(=O)c1ccccc1COC1CCOCC1 ZINC000159623489 533090773 /nfs/dbraw/zinc/09/07/73/533090773.db2.gz JBUVKWOFJXOZNF-UHFFFAOYSA-N 1 2 342.395 3.038 20 70 EGIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000159412275 225211179 /nfs/dbraw/zinc/21/11/79/225211179.db2.gz SHMIQXWLPRKJNN-CYBMUJFWSA-N 1 2 340.452 3.143 20 70 EGIDLO Cc1nc(N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)c(C)[nH+]1 ZINC000160016001 225320316 /nfs/dbraw/zinc/32/03/16/225320316.db2.gz IQNHMBNKIMXCNH-LJQANCHMSA-N 1 2 346.475 3.239 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000160291697 225380789 /nfs/dbraw/zinc/38/07/89/225380789.db2.gz DJRBITCJVBPXCT-GJZGRUSLSA-N 1 2 325.437 3.167 20 70 EGIDLO Cc1cccn2cc(CS(=O)(=O)c3ncc(C(C)(C)C)s3)[nH+]c12 ZINC000160351061 225394840 /nfs/dbraw/zinc/39/48/40/225394840.db2.gz KYVVBUHDWQILEC-UHFFFAOYSA-N 1 2 349.481 3.371 20 70 EGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000161186339 279241171 /nfs/dbraw/zinc/24/11/71/279241171.db2.gz GLFSWIYNMGIYTQ-CQSZACIVSA-N 1 2 325.412 3.133 20 70 EGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000161186339 279241173 /nfs/dbraw/zinc/24/11/73/279241173.db2.gz GLFSWIYNMGIYTQ-CQSZACIVSA-N 1 2 325.412 3.133 20 70 EGIDLO CC(C)c1nc(N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc[nH+]1 ZINC000161319094 307901655 /nfs/dbraw/zinc/90/16/55/307901655.db2.gz RPIQEHXAYKDJMN-KRWDZBQOSA-N 1 2 338.455 3.246 20 70 EGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ccccc1Cl ZINC000160140843 455432042 /nfs/dbraw/zinc/43/20/42/455432042.db2.gz LUEJDDWXYNJILW-CJNGLKHVSA-N 1 2 329.831 3.463 20 70 EGIDLO C[C@@]1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCS1 ZINC000160141834 455432301 /nfs/dbraw/zinc/43/23/01/455432301.db2.gz ASNFIBCAVXUEHI-SFHVURJKSA-N 1 2 344.484 3.016 20 70 EGIDLO Cc1nc2ccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)cc2o1 ZINC000159584482 455386993 /nfs/dbraw/zinc/38/69/93/455386993.db2.gz AZBUBBOSMAYAFB-VFVRVIDISA-N 1 2 345.443 3.209 20 70 EGIDLO Cn1c2ccccc2nc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159636305 455391322 /nfs/dbraw/zinc/39/13/22/455391322.db2.gz RTXOUJVKWHFWAB-NRFANRHFSA-N 1 2 333.435 3.247 20 70 EGIDLO Cn1c2ccccc2nc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159636305 455391327 /nfs/dbraw/zinc/39/13/27/455391327.db2.gz RTXOUJVKWHFWAB-NRFANRHFSA-N 1 2 333.435 3.247 20 70 EGIDLO Cc1cccn2c(CNc3cc(C(=O)NC4CC4)ccc3C)c[nH+]c12 ZINC000160252402 455441754 /nfs/dbraw/zinc/44/17/54/455441754.db2.gz OOPMQDDEGYTVNO-UHFFFAOYSA-N 1 2 334.423 3.455 20 70 EGIDLO CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000160461782 455462862 /nfs/dbraw/zinc/46/28/62/455462862.db2.gz CMWSHQXEVXMDIK-CQSZACIVSA-N 1 2 340.427 3.131 20 70 EGIDLO COCCNc1ccccc1CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000160499681 455466875 /nfs/dbraw/zinc/46/68/75/455466875.db2.gz SYCWFWJSAXWTIM-UHFFFAOYSA-N 1 2 328.416 3.078 20 70 EGIDLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CCO[C@H](c3ccccc3)C2)[nH+]1 ZINC000160625956 455480832 /nfs/dbraw/zinc/48/08/32/455480832.db2.gz VPIVWELQBPNVHX-CVEARBPZSA-N 1 2 341.459 3.393 20 70 EGIDLO CC(C)c1nc(N[C@@H]2CCO[C@H](c3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000160625956 455480835 /nfs/dbraw/zinc/48/08/35/455480835.db2.gz VPIVWELQBPNVHX-CVEARBPZSA-N 1 2 341.459 3.393 20 70 EGIDLO CCC(CC)(CC)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160717221 455491370 /nfs/dbraw/zinc/49/13/70/455491370.db2.gz DNWQQQNHWDDNLR-UHFFFAOYSA-N 1 2 332.492 3.125 20 70 EGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCCC2)c2c1cccc2F ZINC000161087690 455531787 /nfs/dbraw/zinc/53/17/87/455531787.db2.gz DNFOBVUBEKAPRD-CQSZACIVSA-N 1 2 339.414 3.443 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000161103277 455533580 /nfs/dbraw/zinc/53/35/80/455533580.db2.gz CBQDLYOWSQLBGV-CYBMUJFWSA-N 1 2 334.851 3.231 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000161103277 455533584 /nfs/dbraw/zinc/53/35/84/455533584.db2.gz CBQDLYOWSQLBGV-CYBMUJFWSA-N 1 2 334.851 3.231 20 70 EGIDLO CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161398322 455566585 /nfs/dbraw/zinc/56/65/85/455566585.db2.gz CIZJKWCODCUIEX-UKRRQHHQSA-N 1 2 329.469 3.435 20 70 EGIDLO CCC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000161426006 455569529 /nfs/dbraw/zinc/56/95/29/455569529.db2.gz PRQJLZKBJXBLDU-INIZCTEOSA-N 1 2 343.427 3.113 20 70 EGIDLO CC(C)(C)C[C@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000161436981 455570477 /nfs/dbraw/zinc/57/04/77/455570477.db2.gz NQUYXANYFKXDPY-CYBMUJFWSA-N 1 2 325.416 3.025 20 70 EGIDLO COCc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000161476432 455573954 /nfs/dbraw/zinc/57/39/54/455573954.db2.gz FLNKAUSYQSJVDP-HNNXBMFYSA-N 1 2 342.443 3.053 20 70 EGIDLO Cc1sc2nc(C[NH+]3CCC(OCC(C)C)CC3)[nH]c(=O)c2c1C ZINC000161494373 455575473 /nfs/dbraw/zinc/57/54/73/455575473.db2.gz LZGPBVVXKNWYHU-UHFFFAOYSA-N 1 2 349.500 3.238 20 70 EGIDLO C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000217143913 456031688 /nfs/dbraw/zinc/03/16/88/456031688.db2.gz GWBGTIACCGRCAO-ZDUSSCGKSA-N 1 2 341.480 3.407 20 70 EGIDLO C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)[N@H+]1CCc2ccccc2C1 ZINC000217143913 456031692 /nfs/dbraw/zinc/03/16/92/456031692.db2.gz GWBGTIACCGRCAO-ZDUSSCGKSA-N 1 2 341.480 3.407 20 70 EGIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000159386735 225207350 /nfs/dbraw/zinc/20/73/50/225207350.db2.gz QGLYRCZLXWYWRY-CQSZACIVSA-N 1 2 333.482 3.264 20 70 EGIDLO Cc1c[nH+]ccc1NC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000159389286 225208365 /nfs/dbraw/zinc/20/83/65/225208365.db2.gz BTALENRCIMKQNG-UHFFFAOYSA-N 1 2 330.409 3.282 20 70 EGIDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000159764306 225274447 /nfs/dbraw/zinc/27/44/47/225274447.db2.gz JCVQQWGJLMNGNK-UHFFFAOYSA-N 1 2 341.846 3.013 20 70 EGIDLO O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161371505 279879804 /nfs/dbraw/zinc/87/98/04/279879804.db2.gz LVHYEJKSYJPUDU-IPMKNSEASA-N 1 2 337.467 3.363 20 70 EGIDLO C[N@@H+]1CCN(C(=O)c2ccnc(Cl)c2F)[C@@H](c2ccccc2)C1 ZINC000161268189 290032712 /nfs/dbraw/zinc/03/27/12/290032712.db2.gz CXQCBTPLZIJOJR-CQSZACIVSA-N 1 2 333.794 3.003 20 70 EGIDLO C[N@H+]1CCN(C(=O)c2ccnc(Cl)c2F)[C@@H](c2ccccc2)C1 ZINC000161268189 290032715 /nfs/dbraw/zinc/03/27/15/290032715.db2.gz CXQCBTPLZIJOJR-CQSZACIVSA-N 1 2 333.794 3.003 20 70 EGIDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160092001 455428267 /nfs/dbraw/zinc/42/82/67/455428267.db2.gz ULEYOVRSXYNFNC-UHFFFAOYSA-N 1 2 337.383 3.296 20 70 EGIDLO COc1ncc(Cl)c(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159701355 455396485 /nfs/dbraw/zinc/39/64/85/455396485.db2.gz YAZQMVRUYBHNHA-UHFFFAOYSA-N 1 2 343.818 3.020 20 70 EGIDLO c1cc(-c2nc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)no2)cs1 ZINC000160817704 455501464 /nfs/dbraw/zinc/50/14/64/455501464.db2.gz ACYVPSCFYRGXOZ-OAHLLOKOSA-N 1 2 326.425 3.485 20 70 EGIDLO c1cc(-c2nc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)no2)cs1 ZINC000160817704 455501467 /nfs/dbraw/zinc/50/14/67/455501467.db2.gz ACYVPSCFYRGXOZ-OAHLLOKOSA-N 1 2 326.425 3.485 20 70 EGIDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000160884496 455508212 /nfs/dbraw/zinc/50/82/12/455508212.db2.gz PLUWGMMURIPFFG-WMLDXEAASA-N 1 2 336.863 3.114 20 70 EGIDLO CCc1ccc(-c2noc(C[N@@H+](CC)Cc3cnn(C)c3)n2)cc1 ZINC000161094148 455532668 /nfs/dbraw/zinc/53/26/68/455532668.db2.gz AEGSTSBCCKCSAP-UHFFFAOYSA-N 1 2 325.416 3.055 20 70 EGIDLO CCc1ccc(-c2noc(C[N@H+](CC)Cc3cnn(C)c3)n2)cc1 ZINC000161094148 455532674 /nfs/dbraw/zinc/53/26/74/455532674.db2.gz AEGSTSBCCKCSAP-UHFFFAOYSA-N 1 2 325.416 3.055 20 70 EGIDLO c1cc(OC[C@@H]2CCCO2)ccc1[NH2+]C1CCC2(CC1)OCCO2 ZINC000161102844 455533846 /nfs/dbraw/zinc/53/38/46/455533846.db2.gz SHKXRPHJTFZABH-SFHVURJKSA-N 1 2 333.428 3.342 20 70 EGIDLO Cc1cccc(C2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCCC2)c1 ZINC000161168816 455542866 /nfs/dbraw/zinc/54/28/66/455542866.db2.gz JVDSEMNGBXANKK-QGZVFWFLSA-N 1 2 337.467 3.382 20 70 EGIDLO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1noc(C2CC2)n1 ZINC000161240959 455551116 /nfs/dbraw/zinc/55/11/16/455551116.db2.gz WUEFZUWPIWBCKJ-UHFFFAOYSA-N 1 2 337.427 3.402 20 70 EGIDLO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1noc(C2CC2)n1 ZINC000161240959 455551121 /nfs/dbraw/zinc/55/11/21/455551121.db2.gz WUEFZUWPIWBCKJ-UHFFFAOYSA-N 1 2 337.427 3.402 20 70 EGIDLO Cc1nccc(NC(=O)NCCCCNc2cccc[nH+]2)c1Cl ZINC000159724870 546940132 /nfs/dbraw/zinc/94/01/32/546940132.db2.gz UOIJBLFPOMOGRC-UHFFFAOYSA-N 1 2 333.823 3.452 20 70 EGIDLO Cc1nccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000159929846 546942987 /nfs/dbraw/zinc/94/29/87/546942987.db2.gz ZOYGQASAIOCZJL-RISCZKNCSA-N 1 2 333.823 3.355 20 70 EGIDLO C[C@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[C@@H]1C ZINC000160033367 225323356 /nfs/dbraw/zinc/32/33/56/225323356.db2.gz YFWSCGPTVKAISK-ZQIUZPCESA-N 1 2 344.434 3.336 20 70 EGIDLO Cc1ccc(C(=O)CC[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC000160022233 225320851 /nfs/dbraw/zinc/32/08/51/225320851.db2.gz RYENZODNXRUZOO-CQSZACIVSA-N 1 2 328.378 3.136 20 70 EGIDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)Cc3ccccc3F)cn21 ZINC000159656229 225254763 /nfs/dbraw/zinc/25/47/63/225254763.db2.gz GVBFZRRECAEGPG-ZDUSSCGKSA-N 1 2 325.387 3.277 20 70 EGIDLO Cc1cccc2[nH+]c(CSc3nnc(-c4ccccn4)n3C)cn21 ZINC000159510466 455381193 /nfs/dbraw/zinc/38/11/93/455381193.db2.gz XFGADYMTXAYJAQ-UHFFFAOYSA-N 1 2 336.424 3.126 20 70 EGIDLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)s1 ZINC000159917882 455415606 /nfs/dbraw/zinc/41/56/06/455415606.db2.gz BZHBPHLJJRSAJB-GOSISDBHSA-N 1 2 343.496 3.467 20 70 EGIDLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)s1 ZINC000159917882 455415613 /nfs/dbraw/zinc/41/56/13/455415613.db2.gz BZHBPHLJJRSAJB-GOSISDBHSA-N 1 2 343.496 3.467 20 70 EGIDLO CCCCn1ncc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1C ZINC000160171208 455433988 /nfs/dbraw/zinc/43/39/88/455433988.db2.gz IDYRYVGUAAWCEY-IBGZPJMESA-N 1 2 340.471 3.121 20 70 EGIDLO CCCCn1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000160171208 455433993 /nfs/dbraw/zinc/43/39/93/455433993.db2.gz IDYRYVGUAAWCEY-IBGZPJMESA-N 1 2 340.471 3.121 20 70 EGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1noc(C(C)(C)C)n1 ZINC000159726157 455398074 /nfs/dbraw/zinc/39/80/74/455398074.db2.gz FKIGZPLKGQEZHX-UHFFFAOYSA-N 1 2 325.416 3.248 20 70 EGIDLO CC(C)(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000160248368 455441858 /nfs/dbraw/zinc/44/18/58/455441858.db2.gz XDLACBWZDLUWRK-CYBMUJFWSA-N 1 2 331.847 3.193 20 70 EGIDLO COc1ccc2cccc(CC(=O)N(C)CCCn3cc[nH+]c3)c2c1 ZINC000160482892 455464547 /nfs/dbraw/zinc/46/45/47/455464547.db2.gz ROEJXKWYMYVOCK-UHFFFAOYSA-N 1 2 337.423 3.136 20 70 EGIDLO CCOc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)c1 ZINC000161107852 455533981 /nfs/dbraw/zinc/53/39/81/455533981.db2.gz GAFMTWXPEBETKA-OAHLLOKOSA-N 1 2 340.427 3.189 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000161108050 455535119 /nfs/dbraw/zinc/53/51/19/455535119.db2.gz PNLCCZKZLINXJI-GJZGRUSLSA-N 1 2 329.469 3.052 20 70 EGIDLO Cc1c(Br)cccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161158794 455542070 /nfs/dbraw/zinc/54/20/70/455542070.db2.gz ZYMDCEYXXJGIDY-LLVKDONJSA-N 1 2 334.217 3.155 20 70 EGIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccccc1Oc1ccccc1 ZINC000161174805 455544002 /nfs/dbraw/zinc/54/40/02/455544002.db2.gz UUNNCWXBQBXCAX-UHFFFAOYSA-N 1 2 342.420 3.327 20 70 EGIDLO O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218094711 456034558 /nfs/dbraw/zinc/03/45/58/456034558.db2.gz DHIFOKJTIQNHPP-IGDKPHCXSA-N 1 2 339.483 3.383 20 70 EGIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(C(C)C)on1 ZINC000159452839 534684623 /nfs/dbraw/zinc/68/46/23/534684623.db2.gz URROAQAFGFLTCT-UHFFFAOYSA-N 1 2 326.400 3.276 20 70 EGIDLO CCC[N@H+](Cc1cc(OC)ccn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160033490 528131909 /nfs/dbraw/zinc/13/19/09/528131909.db2.gz KULIEFMLPUXBPU-HNNXBMFYSA-N 1 2 327.428 3.329 20 70 EGIDLO CCC[N@@H+](Cc1cc(OC)ccn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160033490 528131915 /nfs/dbraw/zinc/13/19/15/528131915.db2.gz KULIEFMLPUXBPU-HNNXBMFYSA-N 1 2 327.428 3.329 20 70 EGIDLO Cc1cccn2cc(CCNC(=O)Nc3ccnc(C)c3Cl)[nH+]c12 ZINC000159361965 546936826 /nfs/dbraw/zinc/93/68/26/546936826.db2.gz BKKJJELNFFMNKB-UHFFFAOYSA-N 1 2 343.818 3.364 20 70 EGIDLO O=C(c1ccccc1)N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000216827280 284710957 /nfs/dbraw/zinc/71/09/57/284710957.db2.gz DMPPZGXZWHJUGN-UHFFFAOYSA-N 1 2 344.455 3.376 20 70 EGIDLO Cc1cccc([C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccccn2)c1 ZINC000160088203 307884467 /nfs/dbraw/zinc/88/44/67/307884467.db2.gz CQVFFMLJAXHWKI-FXAWDEMLSA-N 1 2 346.434 3.055 20 70 EGIDLO Cc1cc(C)c(-c2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n[nH]2)cc1C ZINC000160284974 307887402 /nfs/dbraw/zinc/88/74/02/307887402.db2.gz WHFRDDSPNHUEIN-HNNXBMFYSA-N 1 2 349.438 3.400 20 70 EGIDLO O=C(CCCc1nc(C2CC2)no1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159392731 455374373 /nfs/dbraw/zinc/37/43/73/455374373.db2.gz SNZJJTZARFSUND-UHFFFAOYSA-N 1 2 337.383 3.094 20 70 EGIDLO C[C@@]1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCS1 ZINC000159865351 455410742 /nfs/dbraw/zinc/41/07/42/455410742.db2.gz CATUCBMBSAVMNM-HNNXBMFYSA-N 1 2 338.864 3.073 20 70 EGIDLO CC[C@@H](C)c1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)on1 ZINC000159996081 455421457 /nfs/dbraw/zinc/42/14/57/455421457.db2.gz NVFPRYGWJSSGON-CYBMUJFWSA-N 1 2 328.416 3.113 20 70 EGIDLO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1Cl ZINC000160816513 455501532 /nfs/dbraw/zinc/50/15/32/455501532.db2.gz GZJOBBNYIWJCOF-UHFFFAOYSA-N 1 2 337.876 3.265 20 70 EGIDLO C[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1Cl ZINC000160816513 455501537 /nfs/dbraw/zinc/50/15/37/455501537.db2.gz GZJOBBNYIWJCOF-UHFFFAOYSA-N 1 2 337.876 3.265 20 70 EGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160949722 455516406 /nfs/dbraw/zinc/51/64/06/455516406.db2.gz IUVWCJCZMPEDGQ-JKSUJKDBSA-N 1 2 341.480 3.472 20 70 EGIDLO CC(C)(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000161358679 455563172 /nfs/dbraw/zinc/56/31/72/455563172.db2.gz VLSJOBXBHOIBIQ-CYBMUJFWSA-N 1 2 331.847 3.193 20 70 EGIDLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1=Cc2cc(F)ccc2OC1 ZINC000161417297 455569123 /nfs/dbraw/zinc/56/91/23/455569123.db2.gz HWPVNZDEMZDXRQ-UHFFFAOYSA-N 1 2 349.365 3.104 20 70 EGIDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000159562248 533878993 /nfs/dbraw/zinc/87/89/93/533878993.db2.gz GOKQINUKSAKOFZ-GFCCVEGCSA-N 1 2 333.819 3.203 20 70 EGIDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000159562248 533878997 /nfs/dbraw/zinc/87/89/97/533878997.db2.gz GOKQINUKSAKOFZ-GFCCVEGCSA-N 1 2 333.819 3.203 20 70 EGIDLO CCOC(=O)c1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000159782931 528213419 /nfs/dbraw/zinc/21/34/19/528213419.db2.gz YMSUMLQMVLPJQM-UHFFFAOYSA-N 1 2 345.395 3.032 20 70 EGIDLO CCOC(=O)c1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000159782931 528213426 /nfs/dbraw/zinc/21/34/26/528213426.db2.gz YMSUMLQMVLPJQM-UHFFFAOYSA-N 1 2 345.395 3.032 20 70 EGIDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000159791411 307879632 /nfs/dbraw/zinc/87/96/32/307879632.db2.gz RPBQTPLGHJFXGM-AWEZNQCLSA-N 1 2 330.819 3.444 20 70 EGIDLO COc1ccc(N(C)C(=O)Cc2cn3ccccc3[nH+]2)cc1Cl ZINC000160100616 307884666 /nfs/dbraw/zinc/88/46/66/307884666.db2.gz IJDACFWZGVHKER-UHFFFAOYSA-N 1 2 329.787 3.202 20 70 EGIDLO CCc1nnc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000159501079 455381561 /nfs/dbraw/zinc/38/15/61/455381561.db2.gz USQLTRHVSMIIFT-ZDUSSCGKSA-N 1 2 334.851 3.312 20 70 EGIDLO CCc1nnc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000159501079 455381567 /nfs/dbraw/zinc/38/15/67/455381567.db2.gz USQLTRHVSMIIFT-ZDUSSCGKSA-N 1 2 334.851 3.312 20 70 EGIDLO CC[N@@H+](Cc1ccc(COC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159889213 455412671 /nfs/dbraw/zinc/41/26/71/455412671.db2.gz QMXUFVLRWCCYAY-UHFFFAOYSA-N 1 2 337.423 3.092 20 70 EGIDLO CC[N@H+](Cc1ccc(COC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159889213 455412673 /nfs/dbraw/zinc/41/26/73/455412673.db2.gz QMXUFVLRWCCYAY-UHFFFAOYSA-N 1 2 337.423 3.092 20 70 EGIDLO CC[N@H+](Cc1ccc(F)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159893124 455413800 /nfs/dbraw/zinc/41/38/00/455413800.db2.gz KFICTYHWNJWDAQ-UHFFFAOYSA-N 1 2 325.387 3.393 20 70 EGIDLO CC[N@@H+](Cc1ccc(F)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159893124 455413803 /nfs/dbraw/zinc/41/38/03/455413803.db2.gz KFICTYHWNJWDAQ-UHFFFAOYSA-N 1 2 325.387 3.393 20 70 EGIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)[nH]1 ZINC000160368782 455451835 /nfs/dbraw/zinc/45/18/35/455451835.db2.gz XUZGKGWUQMSEDQ-ZDUSSCGKSA-N 1 2 332.448 3.261 20 70 EGIDLO CCC(CC)n1ncc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1C ZINC000160609641 455480425 /nfs/dbraw/zinc/48/04/25/455480425.db2.gz VRIXJBIFGIGZCY-UHFFFAOYSA-N 1 2 347.488 3.249 20 70 EGIDLO CCC(CC)n1ncc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1C ZINC000160609641 455480431 /nfs/dbraw/zinc/48/04/31/455480431.db2.gz VRIXJBIFGIGZCY-UHFFFAOYSA-N 1 2 347.488 3.249 20 70 EGIDLO CC(C)c1nc(N(C)C)nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)[nH+]1 ZINC000160626303 455482494 /nfs/dbraw/zinc/48/24/94/455482494.db2.gz VPIVWELQBPNVHX-JKSUJKDBSA-N 1 2 341.459 3.393 20 70 EGIDLO CC(C)c1nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000160626303 455482499 /nfs/dbraw/zinc/48/24/99/455482499.db2.gz VPIVWELQBPNVHX-JKSUJKDBSA-N 1 2 341.459 3.393 20 70 EGIDLO CC1(C)CCC[C@@H](CC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160934825 455515469 /nfs/dbraw/zinc/51/54/69/455515469.db2.gz JEWWMCOAKYEFDT-KRWDZBQOSA-N 1 2 329.488 3.332 20 70 EGIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000161110638 455534994 /nfs/dbraw/zinc/53/49/94/455534994.db2.gz LWBXTKYYWJTSFP-LLVKDONJSA-N 1 2 344.488 3.207 20 70 EGIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000161110638 455534997 /nfs/dbraw/zinc/53/49/97/455534997.db2.gz LWBXTKYYWJTSFP-LLVKDONJSA-N 1 2 344.488 3.207 20 70 EGIDLO CCOc1ccccc1[C@H](CC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161124447 455537242 /nfs/dbraw/zinc/53/72/42/455537242.db2.gz WAJQXYXPRVMCTL-ZBFHGGJFSA-N 1 2 327.428 3.112 20 70 EGIDLO c1nc(CN2CC[NH+](Cc3ccncc3)CC2)oc1-c1ccccc1 ZINC000161188717 455545289 /nfs/dbraw/zinc/54/52/89/455545289.db2.gz FBBOZHNHKKBUPW-UHFFFAOYSA-N 1 2 334.423 3.054 20 70 EGIDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1noc3c1CCCC3)C2 ZINC000217027290 456031229 /nfs/dbraw/zinc/03/12/29/456031229.db2.gz KESHPJYKAPBHIC-UHFFFAOYSA-N 1 2 325.412 3.070 20 70 EGIDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1noc3c1CCCC3)C2 ZINC000217027290 456031231 /nfs/dbraw/zinc/03/12/31/456031231.db2.gz KESHPJYKAPBHIC-UHFFFAOYSA-N 1 2 325.412 3.070 20 70 EGIDLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000160372020 528689755 /nfs/dbraw/zinc/68/97/55/528689755.db2.gz YEFGJGBYRWJVNL-CYBMUJFWSA-N 1 2 332.448 3.405 20 70 EGIDLO