smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C ZINC000159661689 436860718 /nfs/dbraw/zinc/86/07/18/436860718.db2.gz TUINYUZQMWOWDY-JKSUJKDBSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1ccc(C(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C ZINC000159661689 436860721 /nfs/dbraw/zinc/86/07/21/436860721.db2.gz TUINYUZQMWOWDY-JKSUJKDBSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000159715923 436863932 /nfs/dbraw/zinc/86/39/32/436863932.db2.gz KQQNNISXIAIRLQ-SJORKVTESA-N 1 2 345.443 0.585 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000159715923 436863936 /nfs/dbraw/zinc/86/39/36/436863936.db2.gz KQQNNISXIAIRLQ-SJORKVTESA-N 1 2 345.443 0.585 20 70 ECIDLO O=C(CNC(=O)NC1CCCCC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160417447 436870465 /nfs/dbraw/zinc/87/04/65/436870465.db2.gz MTIJVPGPSZFIHZ-HNNXBMFYSA-N 1 2 338.452 0.598 20 70 ECIDLO O=C(CNC(=O)NC1CCCCC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160417447 436870468 /nfs/dbraw/zinc/87/04/68/436870468.db2.gz MTIJVPGPSZFIHZ-HNNXBMFYSA-N 1 2 338.452 0.598 20 70 ECIDLO CC(C)(C)S(=O)(=O)CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160732047 436876529 /nfs/dbraw/zinc/87/65/29/436876529.db2.gz YBSJJWNCNXCFDX-UHFFFAOYSA-N 1 2 346.493 0.771 20 70 ECIDLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NCCc1ccccc1 ZINC000160989527 436881974 /nfs/dbraw/zinc/88/19/74/436881974.db2.gz QNNQXNVSTMQQBP-OAHLLOKOSA-N 1 2 326.400 0.921 20 70 ECIDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161401096 436890628 /nfs/dbraw/zinc/89/06/28/436890628.db2.gz RBLHIAIMORYBDK-ZDUSSCGKSA-N 1 2 340.342 0.643 20 70 ECIDLO CCc1cc(NC(=O)N(CCO)CC[NH+]2CCOCC2)n(C)n1 ZINC000160744340 545849349 /nfs/dbraw/zinc/84/93/49/545849349.db2.gz XMTCTNBWJKGYJQ-UHFFFAOYSA-N 1 2 325.413 0.141 20 70 ECIDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1)C[NH+]1CCOCC1 ZINC000160378043 206294995 /nfs/dbraw/zinc/29/49/95/206294995.db2.gz GEAQXUVGBYHPRS-NSHDSACASA-N 1 2 333.841 0.982 20 70 ECIDLO O=C(CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)NCC1CC1 ZINC000161160134 206331754 /nfs/dbraw/zinc/33/17/54/206331754.db2.gz UEPMWNHUJYLJOH-UHFFFAOYSA-N 1 2 331.420 0.435 20 70 ECIDLO C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159692284 436862967 /nfs/dbraw/zinc/86/29/67/436862967.db2.gz ORADFEWREXMLJZ-YZIKLBGASA-N 1 2 343.427 0.746 20 70 ECIDLO C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159692284 436862971 /nfs/dbraw/zinc/86/29/71/436862971.db2.gz ORADFEWREXMLJZ-YZIKLBGASA-N 1 2 343.427 0.746 20 70 ECIDLO C[C@]1(O)CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000160651095 436875217 /nfs/dbraw/zinc/87/52/17/436875217.db2.gz FULODAMIHPGBPE-KRWDZBQOSA-N 1 2 348.451 0.155 20 70 ECIDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)CC(C)(CO)CO ZINC000159573828 206252841 /nfs/dbraw/zinc/25/28/41/206252841.db2.gz QJMRMEIBIMOWMP-UHFFFAOYSA-N 1 2 346.225 0.705 20 70 ECIDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)CC(C)(CO)CO ZINC000159573828 206252842 /nfs/dbraw/zinc/25/28/42/206252842.db2.gz QJMRMEIBIMOWMP-UHFFFAOYSA-N 1 2 346.225 0.705 20 70 ECIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000160597440 206305661 /nfs/dbraw/zinc/30/56/61/206305661.db2.gz XMQNDZQHRSRPGW-UHFFFAOYSA-N 1 2 347.463 0.875 20 70 ECIDLO Cc1cc(C[C@H](C)NC(=O)C[NH+]2CCN(c3ccccn3)CC2)[nH]n1 ZINC000161169504 206332524 /nfs/dbraw/zinc/33/25/24/206332524.db2.gz CMLGOYLEXDCCJJ-AWEZNQCLSA-N 1 2 342.447 0.983 20 70 ECIDLO CC(C)CCOCCNC(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161203628 436885790 /nfs/dbraw/zinc/88/57/90/436885790.db2.gz FYIZRPSTUVWOSD-UHFFFAOYSA-N 1 2 331.438 0.514 20 70 ECIDLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000161329425 436887944 /nfs/dbraw/zinc/88/79/44/436887944.db2.gz XPFPTUIYHNDVBB-INIZCTEOSA-N 1 2 331.416 0.484 20 70 ECIDLO COC[C@@H](O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159442601 206245500 /nfs/dbraw/zinc/24/55/00/206245500.db2.gz JBGDNANBBXITQL-BBRMVZONSA-N 1 2 339.411 0.460 20 70 ECIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000159463050 436857864 /nfs/dbraw/zinc/85/78/64/436857864.db2.gz XZYIIJGQWJKEOX-ZDUSSCGKSA-N 1 2 339.411 0.915 20 70 ECIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000159463050 436857870 /nfs/dbraw/zinc/85/78/70/436857870.db2.gz XZYIIJGQWJKEOX-ZDUSSCGKSA-N 1 2 339.411 0.915 20 70 ECIDLO O=C(NC[C@@H]1CCCS1(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159867564 436865238 /nfs/dbraw/zinc/86/52/38/436865238.db2.gz PYBTWRGAVQXDPF-ZDUSSCGKSA-N 1 2 338.433 0.490 20 70 ECIDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCN(c2cccnn2)CC1 ZINC000160770151 436880429 /nfs/dbraw/zinc/88/04/29/436880429.db2.gz SECUQKWNKLHKLS-CQSZACIVSA-N 1 2 329.408 0.984 20 70 ECIDLO CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1cnn(C)c1 ZINC000161132522 436882650 /nfs/dbraw/zinc/88/26/50/436882650.db2.gz JWFNJXBTTTZVFI-CQSZACIVSA-N 1 2 335.452 0.759 20 70 ECIDLO CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1cnn(C)c1 ZINC000161132522 436882655 /nfs/dbraw/zinc/88/26/55/436882655.db2.gz JWFNJXBTTTZVFI-CQSZACIVSA-N 1 2 335.452 0.759 20 70 ECIDLO COC(=O)CCNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161259701 436886787 /nfs/dbraw/zinc/88/67/87/436886787.db2.gz RZKRMSQJYBFPAO-LBPRGKRZSA-N 1 2 326.315 0.301 20 70 ECIDLO CC(C)c1cc(=O)n(CC(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000160782434 206312420 /nfs/dbraw/zinc/31/24/20/206312420.db2.gz NZPMZNFLVBNYMX-UHFFFAOYSA-N 1 2 336.436 0.594 20 70 ECIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCS1(=O)=O ZINC000159783693 436862713 /nfs/dbraw/zinc/86/27/13/436862713.db2.gz SPEQDQZITKBHFP-CYBMUJFWSA-N 1 2 340.449 0.638 20 70 ECIDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161401226 436890405 /nfs/dbraw/zinc/89/04/05/436890405.db2.gz RBLHIAIMORYBDK-CYBMUJFWSA-N 1 2 340.342 0.643 20 70 ECIDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CCNC(=O)C1 ZINC000159722280 545848556 /nfs/dbraw/zinc/84/85/56/545848556.db2.gz UEGBTRKFMACOEQ-JKSUJKDBSA-N 1 2 331.416 0.702 20 70 ECIDLO CN1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1=O ZINC000160335281 206291738 /nfs/dbraw/zinc/29/17/38/206291738.db2.gz ISUDZFSIWYWWLG-OAHLLOKOSA-N 1 2 331.420 0.530 20 70 ECIDLO COCCCNC(=O)C[N@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000159476016 436858903 /nfs/dbraw/zinc/85/89/03/436858903.db2.gz LFAUWKRBKOAATJ-UHFFFAOYSA-N 1 2 343.374 0.666 20 70 ECIDLO COCCCNC(=O)C[N@@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000159476016 436858907 /nfs/dbraw/zinc/85/89/07/436858907.db2.gz LFAUWKRBKOAATJ-UHFFFAOYSA-N 1 2 343.374 0.666 20 70 ECIDLO CCCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1C[C@@H](OCC)C1(C)C ZINC000160632048 436875417 /nfs/dbraw/zinc/87/54/17/436875417.db2.gz WLKBNTFSVRIIFL-UONOGXRCSA-N 1 2 325.453 0.860 20 70 ECIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCN(c2cccnn2)CC1 ZINC000160770059 436879864 /nfs/dbraw/zinc/87/98/64/436879864.db2.gz SECUQKWNKLHKLS-AWEZNQCLSA-N 1 2 329.408 0.984 20 70 ECIDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161031380 436883444 /nfs/dbraw/zinc/88/34/44/436883444.db2.gz NJPFTLDENUVNIV-NXEZZACHSA-N 1 2 346.353 0.980 20 70 ECIDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161031380 436883450 /nfs/dbraw/zinc/88/34/50/436883450.db2.gz NJPFTLDENUVNIV-NXEZZACHSA-N 1 2 346.353 0.980 20 70 ECIDLO CC(C)c1nc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c[nH]1 ZINC000160831081 545851662 /nfs/dbraw/zinc/85/16/62/545851662.db2.gz RQEXMBUEWLKYDW-UHFFFAOYSA-N 1 2 330.454 0.610 20 70 ECIDLO Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000161214786 206336239 /nfs/dbraw/zinc/33/62/39/206336239.db2.gz LDHKJBKXIGZSAI-ZDUSSCGKSA-N 1 2 327.388 0.801 20 70 ECIDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159644023 436860970 /nfs/dbraw/zinc/86/09/70/436860970.db2.gz PQROKUUTWLSTSO-AWEZNQCLSA-N 1 2 337.424 0.716 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000159716039 436863620 /nfs/dbraw/zinc/86/36/20/436863620.db2.gz KQQNNISXIAIRLQ-IRXDYDNUSA-N 1 2 345.443 0.585 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000159716039 436863623 /nfs/dbraw/zinc/86/36/23/436863623.db2.gz KQQNNISXIAIRLQ-IRXDYDNUSA-N 1 2 345.443 0.585 20 70 ECIDLO C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159692431 436863983 /nfs/dbraw/zinc/86/39/83/436863983.db2.gz ORADFEWREXMLJZ-ASDNSMBMSA-N 1 2 343.427 0.746 20 70 ECIDLO C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159692431 436863984 /nfs/dbraw/zinc/86/39/84/436863984.db2.gz ORADFEWREXMLJZ-ASDNSMBMSA-N 1 2 343.427 0.746 20 70 ECIDLO C[C@H](CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000160388599 436869837 /nfs/dbraw/zinc/86/98/37/436869837.db2.gz DVMIULGATHOHOC-RBSFLKMASA-N 1 2 333.498 0.767 20 70 ECIDLO CCCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1C[C@H](OCC)C1(C)C ZINC000160631743 436875731 /nfs/dbraw/zinc/87/57/31/436875731.db2.gz WLKBNTFSVRIIFL-KGLIPLIRSA-N 1 2 325.453 0.860 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1CC ZINC000160353967 529696602 /nfs/dbraw/zinc/69/66/02/529696602.db2.gz ZMQNRGSHFSKWSU-LSDHHAIUSA-N 1 2 349.435 0.119 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1CC ZINC000160353967 529696605 /nfs/dbraw/zinc/69/66/05/529696605.db2.gz ZMQNRGSHFSKWSU-LSDHHAIUSA-N 1 2 349.435 0.119 20 70 ECIDLO COCC(=O)N(C)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159945245 206272123 /nfs/dbraw/zinc/27/21/23/206272123.db2.gz WMESJJSULJGDBX-UHFFFAOYSA-N 1 2 334.351 0.732 20 70 ECIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159380253 436857879 /nfs/dbraw/zinc/85/78/79/436857879.db2.gz YUALAGKRCJAHCL-KGLIPLIRSA-N 1 2 337.424 0.762 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc4c(c3)CCC4)C[C@@H]21 ZINC000159700802 436862879 /nfs/dbraw/zinc/86/28/79/436862879.db2.gz RZTKDYXXHGYCGS-DLBZAZTESA-N 1 2 343.427 0.447 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc4c(c3)CCC4)C[C@@H]21 ZINC000159700802 436862881 /nfs/dbraw/zinc/86/28/81/436862881.db2.gz RZTKDYXXHGYCGS-DLBZAZTESA-N 1 2 343.427 0.447 20 70 ECIDLO O=C(CN1CC[NH2+]CC1=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161307375 436888397 /nfs/dbraw/zinc/88/83/97/436888397.db2.gz LTPWJFAHTHCDRE-UHFFFAOYSA-N 1 2 345.378 0.102 20 70 ECIDLO COCCOCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160054833 533062432 /nfs/dbraw/zinc/06/24/32/533062432.db2.gz VSGCBFGVIKKYMT-UHFFFAOYSA-N 1 2 336.436 0.962 20 70 ECIDLO C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCn1cc[nH+]c1 ZINC000160587165 296713958 /nfs/dbraw/zinc/71/39/58/296713958.db2.gz SRNWLSOGGAHVAX-ZDUSSCGKSA-N 1 2 340.387 0.981 20 70 ECIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000160558971 436875920 /nfs/dbraw/zinc/87/59/20/436875920.db2.gz OYTWFAYAWZJOOB-UHFFFAOYSA-N 1 2 333.436 0.485 20 70 ECIDLO O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160166475 225353709 /nfs/dbraw/zinc/35/37/09/225353709.db2.gz YNUKJZGTOPPEHU-UHFFFAOYSA-N 1 2 337.383 0.981 20 70 ECIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000159439147 436859216 /nfs/dbraw/zinc/85/92/16/436859216.db2.gz MXXONKOMMHKDDH-HNNXBMFYSA-N 1 2 335.404 0.328 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000159689560 436862246 /nfs/dbraw/zinc/86/22/46/436862246.db2.gz XUIRDRNLEHPCCM-JKSUJKDBSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000159689560 436862251 /nfs/dbraw/zinc/86/22/51/436862251.db2.gz XUIRDRNLEHPCCM-JKSUJKDBSA-N 1 2 331.416 0.575 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]21 ZINC000160519646 436872119 /nfs/dbraw/zinc/87/21/19/436872119.db2.gz OUPUSCBSQLSYOO-UWVGGRQHSA-N 1 2 333.314 0.992 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]21 ZINC000160519646 436872122 /nfs/dbraw/zinc/87/21/22/436872122.db2.gz OUPUSCBSQLSYOO-UWVGGRQHSA-N 1 2 333.314 0.992 20 70 ECIDLO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161231978 436885607 /nfs/dbraw/zinc/88/56/07/436885607.db2.gz KCSJQTTUGVFQOH-CQSZACIVSA-N 1 2 333.436 0.822 20 70 ECIDLO C[C@@H](Cn1cncn1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159880266 534273180 /nfs/dbraw/zinc/27/31/80/534273180.db2.gz CFAPTIKQJBBZRW-AWEZNQCLSA-N 1 2 329.408 0.589 20 70 ECIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N(CC)CC)CC2)n1 ZINC000160599879 296714119 /nfs/dbraw/zinc/71/41/19/296714119.db2.gz XHBCSBWMCPDRTJ-UHFFFAOYSA-N 1 2 335.452 0.731 20 70 ECIDLO Cc1cccc([C@H](CNC(=O)C2(NC(N)=O)CC2)[NH+]2CCOCC2)c1 ZINC000160361014 225395364 /nfs/dbraw/zinc/39/53/64/225395364.db2.gz HSJXHHHRSONQLJ-HNNXBMFYSA-N 1 2 346.431 0.685 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@@H]21 ZINC000159678906 436861094 /nfs/dbraw/zinc/86/10/94/436861094.db2.gz SFFUPWDIJOFPGY-KBPBESRZSA-N 1 2 339.342 0.236 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@@H]21 ZINC000159678906 436861099 /nfs/dbraw/zinc/86/10/99/436861099.db2.gz SFFUPWDIJOFPGY-KBPBESRZSA-N 1 2 339.342 0.236 20 70 ECIDLO COc1ccccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160382523 436871669 /nfs/dbraw/zinc/87/16/69/436871669.db2.gz MTBQBZLBPBFVPE-ZDUSSCGKSA-N 1 2 328.434 0.942 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1CC ZINC000160353800 436871740 /nfs/dbraw/zinc/87/17/40/436871740.db2.gz ZMQNRGSHFSKWSU-HUUCEWRRSA-N 1 2 349.435 0.119 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1CC ZINC000160353800 436871745 /nfs/dbraw/zinc/87/17/45/436871745.db2.gz ZMQNRGSHFSKWSU-HUUCEWRRSA-N 1 2 349.435 0.119 20 70 ECIDLO CC(C)n1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000160825385 436878888 /nfs/dbraw/zinc/87/88/88/436878888.db2.gz GQUVXIUVRKSCBO-UHFFFAOYSA-N 1 2 330.454 0.541 20 70 ECIDLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161031510 436882951 /nfs/dbraw/zinc/88/29/51/436882951.db2.gz NJPFTLDENUVNIV-ZJUUUORDSA-N 1 2 346.353 0.980 20 70 ECIDLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161031510 436882955 /nfs/dbraw/zinc/88/29/55/436882955.db2.gz NJPFTLDENUVNIV-ZJUUUORDSA-N 1 2 346.353 0.980 20 70 ECIDLO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161232060 436885091 /nfs/dbraw/zinc/88/50/91/436885091.db2.gz KCSJQTTUGVFQOH-AWEZNQCLSA-N 1 2 333.436 0.822 20 70 ECIDLO Cc1cc(C[C@@H](C)NC(=O)C[NH+]2CCN(c3ccccn3)CC2)[nH]n1 ZINC000161169383 436885971 /nfs/dbraw/zinc/88/59/71/436885971.db2.gz CMLGOYLEXDCCJJ-CQSZACIVSA-N 1 2 342.447 0.983 20 70 ECIDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161181064 436886008 /nfs/dbraw/zinc/88/60/08/436886008.db2.gz IBGARUVESHOCQE-RDJZCZTQSA-N 1 2 332.448 0.883 20 70 ECIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159380079 296711477 /nfs/dbraw/zinc/71/14/77/296711477.db2.gz YUALAGKRCJAHCL-KBPBESRZSA-N 1 2 337.424 0.762 20 70 ECIDLO Cn1cnc2cc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cnc21 ZINC000159911041 164801938 /nfs/dbraw/zinc/80/19/38/164801938.db2.gz SXIUHGLPRRDOJO-AWEZNQCLSA-N 1 2 329.404 0.905 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000159658365 281239834 /nfs/dbraw/zinc/23/98/34/281239834.db2.gz OVVMTPACAQRTMB-GJZGRUSLSA-N 1 2 332.404 0.658 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000159658365 281239836 /nfs/dbraw/zinc/23/98/36/281239836.db2.gz OVVMTPACAQRTMB-GJZGRUSLSA-N 1 2 332.404 0.658 20 70 ECIDLO CCCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1C[C@H](OCC)C1(C)C ZINC000160631833 436874432 /nfs/dbraw/zinc/87/44/32/436874432.db2.gz WLKBNTFSVRIIFL-KBPBESRZSA-N 1 2 325.453 0.860 20 70 ECIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159380471 436857652 /nfs/dbraw/zinc/85/76/52/436857652.db2.gz YUALAGKRCJAHCL-ZIAGYGMSSA-N 1 2 337.424 0.762 20 70 ECIDLO COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000159387247 436858084 /nfs/dbraw/zinc/85/80/84/436858084.db2.gz GUIVQYGDQNNCKU-INIZCTEOSA-N 1 2 343.387 0.304 20 70 ECIDLO C[C@H](CC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)NC(=O)c1ccccc1 ZINC000159664248 436860210 /nfs/dbraw/zinc/86/02/10/436860210.db2.gz RBAHXOCXWKDQEW-FVQBIDKESA-N 1 2 331.416 0.736 20 70 ECIDLO C[C@H](CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)NC(=O)c1ccccc1 ZINC000159664248 436860214 /nfs/dbraw/zinc/86/02/14/436860214.db2.gz RBAHXOCXWKDQEW-FVQBIDKESA-N 1 2 331.416 0.736 20 70 ECIDLO CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161072174 436883212 /nfs/dbraw/zinc/88/32/12/436883212.db2.gz KFXRDBAIILBVPK-CYBMUJFWSA-N 1 2 340.449 0.784 20 70 ECIDLO CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161469900 436891429 /nfs/dbraw/zinc/89/14/29/436891429.db2.gz OKUARZHYOGSISJ-GFCCVEGCSA-N 1 2 328.438 0.233 20 70 ECIDLO CCCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160815178 545850080 /nfs/dbraw/zinc/85/00/80/545850080.db2.gz CVWHOGWJMHCITH-CFVMTHIKSA-N 1 2 346.493 0.503 20 70 ECIDLO CCCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160815178 545850087 /nfs/dbraw/zinc/85/00/87/545850087.db2.gz CVWHOGWJMHCITH-CFVMTHIKSA-N 1 2 346.493 0.503 20 70 ECIDLO COC[C@@H](O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159442691 225219204 /nfs/dbraw/zinc/21/92/04/225219204.db2.gz JBGDNANBBXITQL-CJNGLKHVSA-N 1 2 339.411 0.460 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[nH]n1 ZINC000159685780 436861335 /nfs/dbraw/zinc/86/13/35/436861335.db2.gz AOEBCIAECWBXQY-LSDHHAIUSA-N 1 2 344.419 0.582 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[nH]n1 ZINC000159685780 436861337 /nfs/dbraw/zinc/86/13/37/436861337.db2.gz AOEBCIAECWBXQY-LSDHHAIUSA-N 1 2 344.419 0.582 20 70 ECIDLO C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1cccs1 ZINC000159822996 436864325 /nfs/dbraw/zinc/86/43/25/436864325.db2.gz LGMWGCRDXUTHJW-GFCCVEGCSA-N 1 2 325.434 0.416 20 70 ECIDLO O=C(CNC(=O)NC1CCCCC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160417324 436871431 /nfs/dbraw/zinc/87/14/31/436871431.db2.gz MTIJVPGPSZFIHZ-OAHLLOKOSA-N 1 2 338.452 0.598 20 70 ECIDLO O=C(CNC(=O)NC1CCCCC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160417324 436871433 /nfs/dbraw/zinc/87/14/33/436871433.db2.gz MTIJVPGPSZFIHZ-OAHLLOKOSA-N 1 2 338.452 0.598 20 70 ECIDLO Cn1cnnc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000160739746 436878222 /nfs/dbraw/zinc/87/82/22/436878222.db2.gz SVCNQBJZKMWAPR-UHFFFAOYSA-N 1 2 328.420 0.249 20 70 ECIDLO CCOC(=O)CCCNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161169480 436884992 /nfs/dbraw/zinc/88/49/92/436884992.db2.gz UOOHOCMGPKWXAP-UHFFFAOYSA-N 1 2 348.447 0.659 20 70 ECIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1 ZINC000161190215 436885616 /nfs/dbraw/zinc/88/56/16/436885616.db2.gz WRSBCKIQVJDOHL-UHFFFAOYSA-N 1 2 333.413 0.920 20 70 ECIDLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000216845177 586165443 /nfs/dbraw/zinc/16/54/43/586165443.db2.gz DWWUAOYBRNSWNX-ZDUSSCGKSA-N 1 2 334.351 0.068 20 70 ECIDLO CNC(=O)COc1cccc(CC(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000160201016 529866171 /nfs/dbraw/zinc/86/61/71/529866171.db2.gz BTVHPVUULRWCCY-UHFFFAOYSA-N 1 2 330.388 0.746 20 70 ECIDLO CC(C)N1C[C@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000217289139 241244909 /nfs/dbraw/zinc/24/49/09/241244909.db2.gz NINUZATYEIYBKH-CQSZACIVSA-N 1 2 331.420 0.923 20 70 ECIDLO COc1cccc(CS(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000160827424 295300150 /nfs/dbraw/zinc/30/01/50/295300150.db2.gz KRGJPHHBBKVVBY-UHFFFAOYSA-N 1 2 342.461 0.914 20 70 ECIDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000159884847 436866364 /nfs/dbraw/zinc/86/63/64/436866364.db2.gz CGAGBJFPSZHYTD-AWEZNQCLSA-N 1 2 334.420 0.902 20 70 ECIDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000159884847 436866369 /nfs/dbraw/zinc/86/63/69/436866369.db2.gz CGAGBJFPSZHYTD-AWEZNQCLSA-N 1 2 334.420 0.902 20 70 ECIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cnn(-c2ccc(F)cc2)n1 ZINC000160363504 436870604 /nfs/dbraw/zinc/87/06/04/436870604.db2.gz REIYBPSLYYVKND-HNNXBMFYSA-N 1 2 345.378 0.999 20 70 ECIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cnn(-c2ccc(F)cc2)n1 ZINC000160363504 436870608 /nfs/dbraw/zinc/87/06/08/436870608.db2.gz REIYBPSLYYVKND-HNNXBMFYSA-N 1 2 345.378 0.999 20 70 ECIDLO COC(=O)c1ccc2[nH]cc(C(=O)CN3CC[NH+](CCO)CC3)c2c1 ZINC000160469122 436873236 /nfs/dbraw/zinc/87/32/36/436873236.db2.gz WWLHLJCPZYGRSW-UHFFFAOYSA-N 1 2 345.399 0.747 20 70 ECIDLO Cc1nc(CN2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)n[nH]1 ZINC000160707576 436877007 /nfs/dbraw/zinc/87/70/07/436877007.db2.gz BTAZJRLBWRKCOB-ZDUSSCGKSA-N 1 2 338.481 0.195 20 70 ECIDLO Cc1nc(CN2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)n[nH]1 ZINC000160707576 436877011 /nfs/dbraw/zinc/87/70/11/436877011.db2.gz BTAZJRLBWRKCOB-ZDUSSCGKSA-N 1 2 338.481 0.195 20 70 ECIDLO CCNC(=O)C[NH+]1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160754681 436877661 /nfs/dbraw/zinc/87/76/61/436877661.db2.gz OKYUNHPBGBOLQK-UHFFFAOYSA-N 1 2 342.447 0.736 20 70 ECIDLO O=C(NCCCn1cc[nH+]c1)N1CCCN(c2cccnn2)CC1 ZINC000160767112 436878540 /nfs/dbraw/zinc/87/85/40/436878540.db2.gz PAYPDJPAFQPHOC-UHFFFAOYSA-N 1 2 329.408 0.985 20 70 ECIDLO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CN1CC[NH2+]CC1=O ZINC000161062716 436884292 /nfs/dbraw/zinc/88/42/92/436884292.db2.gz XDIJEHFYNJTUKC-UHFFFAOYSA-N 1 2 346.431 0.522 20 70 ECIDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000161226194 436885419 /nfs/dbraw/zinc/88/54/19/436885419.db2.gz VLSPGTZINZUXNB-UONOGXRCSA-N 1 2 337.464 0.860 20 70 ECIDLO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161303275 436887159 /nfs/dbraw/zinc/88/71/59/436887159.db2.gz ZWWDFJYBHRRNNA-LBPRGKRZSA-N 1 2 346.474 0.992 20 70 ECIDLO COCC[N@H+]1CCC[C@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161303275 436887164 /nfs/dbraw/zinc/88/71/64/436887164.db2.gz ZWWDFJYBHRRNNA-LBPRGKRZSA-N 1 2 346.474 0.992 20 70 ECIDLO COCCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000161459225 436892465 /nfs/dbraw/zinc/89/24/65/436892465.db2.gz GIQQCUWMQUNZMR-UHFFFAOYSA-N 1 2 337.464 0.960 20 70 ECIDLO COCCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000161459225 436892468 /nfs/dbraw/zinc/89/24/68/436892468.db2.gz GIQQCUWMQUNZMR-UHFFFAOYSA-N 1 2 337.464 0.960 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000159683692 436861256 /nfs/dbraw/zinc/86/12/56/436861256.db2.gz ASODRHDDTCQZKT-CVEARBPZSA-N 1 2 346.431 0.336 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000159683692 436861260 /nfs/dbraw/zinc/86/12/60/436861260.db2.gz ASODRHDDTCQZKT-CVEARBPZSA-N 1 2 346.431 0.336 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C[C@@H]21 ZINC000159699827 436863025 /nfs/dbraw/zinc/86/30/25/436863025.db2.gz VUFZMJJIGROHFW-KBPBESRZSA-N 1 2 339.342 0.236 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C[C@@H]21 ZINC000159699827 436863026 /nfs/dbraw/zinc/86/30/26/436863026.db2.gz VUFZMJJIGROHFW-KBPBESRZSA-N 1 2 339.342 0.236 20 70 ECIDLO O=C(NCCn1cccn1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000160035583 436866465 /nfs/dbraw/zinc/86/64/65/436866465.db2.gz MPOUIBLABRZPOC-UHFFFAOYSA-N 1 2 348.451 0.127 20 70 ECIDLO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1COCC[NH2+]1 ZINC000160930901 436881169 /nfs/dbraw/zinc/88/11/69/436881169.db2.gz XOHXOAYAXKFTCU-CHWSQXEVSA-N 1 2 337.807 0.940 20 70 ECIDLO Cc1ccc(CN2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000161106942 292100331 /nfs/dbraw/zinc/10/03/31/292100331.db2.gz LUOPVHVFQVJJPF-MRXNPFEDSA-N 1 2 332.448 0.755 20 70 ECIDLO CN(C)S(=O)(=O)c1cc(C(=O)N(C)Cc2[nH+]ccn2C)co1 ZINC000160144484 296713322 /nfs/dbraw/zinc/71/33/22/296713322.db2.gz SBQYIZOTBWKZLS-UHFFFAOYSA-N 1 2 326.378 0.536 20 70 ECIDLO CC(C)CNC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161179432 296715200 /nfs/dbraw/zinc/71/52/00/296715200.db2.gz NSAWATYPLDLMTJ-UHFFFAOYSA-N 1 2 333.436 0.681 20 70 ECIDLO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cn1 ZINC000159931739 225305379 /nfs/dbraw/zinc/30/53/79/225305379.db2.gz CXXNBMZRVLACPK-OAHLLOKOSA-N 1 2 334.420 0.802 20 70 ECIDLO COCCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160355639 225393735 /nfs/dbraw/zinc/39/37/35/225393735.db2.gz VQNAEKZQDKYZBS-UHFFFAOYSA-N 1 2 341.477 0.717 20 70 ECIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000159439285 436857526 /nfs/dbraw/zinc/85/75/26/436857526.db2.gz MXXONKOMMHKDDH-OAHLLOKOSA-N 1 2 335.404 0.328 20 70 ECIDLO Cc1sc(=O)n(CCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1C ZINC000160371350 436871339 /nfs/dbraw/zinc/87/13/39/436871339.db2.gz BWTCDHVMFFAAQR-CQSZACIVSA-N 1 2 339.461 0.896 20 70 ECIDLO Cc1sc(=O)n(CCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1C ZINC000160371350 436871344 /nfs/dbraw/zinc/87/13/44/436871344.db2.gz BWTCDHVMFFAAQR-CQSZACIVSA-N 1 2 339.461 0.896 20 70 ECIDLO O=S(=O)(NCCC[NH+]1CCOCC1)c1cccc2nonc21 ZINC000160882223 436880160 /nfs/dbraw/zinc/88/01/60/436880160.db2.gz UKXYSGDOMNYQJN-UHFFFAOYSA-N 1 2 326.378 0.223 20 70 ECIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000160987650 436881279 /nfs/dbraw/zinc/88/12/79/436881279.db2.gz BAGYFMJBRFDXLH-IUODEOHRSA-N 1 2 328.372 0.943 20 70 ECIDLO CCCNC(=O)NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161491350 436892063 /nfs/dbraw/zinc/89/20/63/436892063.db2.gz LPJLCPNQJWSPTQ-NSHDSACASA-N 1 2 325.331 0.857 20 70 ECIDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3nncn3C)CC2)C1 ZINC000160721786 296714631 /nfs/dbraw/zinc/71/46/31/296714631.db2.gz NPRAKTQYHORADZ-GASCZTMLSA-N 1 2 334.468 0.437 20 70 ECIDLO C[C@]1(O)CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000160243333 225370138 /nfs/dbraw/zinc/37/01/38/225370138.db2.gz ORRAWYBXHQGNEZ-KRWDZBQOSA-N 1 2 334.420 0.975 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@@H]21 ZINC000159679048 436861923 /nfs/dbraw/zinc/86/19/23/436861923.db2.gz SFFUPWDIJOFPGY-UONOGXRCSA-N 1 2 339.342 0.236 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@@H]21 ZINC000159679048 436861928 /nfs/dbraw/zinc/86/19/28/436861928.db2.gz SFFUPWDIJOFPGY-UONOGXRCSA-N 1 2 339.342 0.236 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000159689428 436862835 /nfs/dbraw/zinc/86/28/35/436862835.db2.gz XUIRDRNLEHPCCM-HZPDHXFCSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000159689428 436862838 /nfs/dbraw/zinc/86/28/38/436862838.db2.gz XUIRDRNLEHPCCM-HZPDHXFCSA-N 1 2 331.416 0.575 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)C[C@@H]21 ZINC000159728717 436863573 /nfs/dbraw/zinc/86/35/73/436863573.db2.gz OAMQTULWHDJQLC-HOTGVXAUSA-N 1 2 342.399 0.439 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)C[C@@H]21 ZINC000159728717 436863576 /nfs/dbraw/zinc/86/35/76/436863576.db2.gz OAMQTULWHDJQLC-HOTGVXAUSA-N 1 2 342.399 0.439 20 70 ECIDLO Cn1cc(N2CCC[C@@H]([NH+]3CCN(c4cccnn4)CC3)C2=O)cn1 ZINC000160171996 534738680 /nfs/dbraw/zinc/73/86/80/534738680.db2.gz ZDAMRSXYWGOIMZ-OAHLLOKOSA-N 1 2 341.419 0.528 20 70 ECIDLO O=C(C[C@@H]1COC(=O)C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160031193 225322870 /nfs/dbraw/zinc/32/28/70/225322870.db2.gz VTEBOALBAOZHPK-AWEZNQCLSA-N 1 2 342.399 0.932 20 70 ECIDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159394421 436857458 /nfs/dbraw/zinc/85/74/58/436857458.db2.gz AJCVVCXPZVLXAE-UHFFFAOYSA-N 1 2 334.449 0.947 20 70 ECIDLO COCCCNC(=O)C[N@H+](C)CC(=O)NCc1sccc1C ZINC000159476157 436858387 /nfs/dbraw/zinc/85/83/87/436858387.db2.gz RPWQGRZCHYDUKE-UHFFFAOYSA-N 1 2 327.450 0.757 20 70 ECIDLO COCCCNC(=O)C[N@@H+](C)CC(=O)NCc1sccc1C ZINC000159476157 436858389 /nfs/dbraw/zinc/85/83/89/436858389.db2.gz RPWQGRZCHYDUKE-UHFFFAOYSA-N 1 2 327.450 0.757 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000159658089 436862069 /nfs/dbraw/zinc/86/20/69/436862069.db2.gz OVVMTPACAQRTMB-LSDHHAIUSA-N 1 2 332.404 0.658 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000159658089 436862073 /nfs/dbraw/zinc/86/20/73/436862073.db2.gz OVVMTPACAQRTMB-LSDHHAIUSA-N 1 2 332.404 0.658 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC000159721629 436864275 /nfs/dbraw/zinc/86/42/75/436864275.db2.gz VQSGDABNRJIIHP-KBPBESRZSA-N 1 2 337.807 0.611 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC000159721629 436864280 /nfs/dbraw/zinc/86/42/80/436864280.db2.gz VQSGDABNRJIIHP-KBPBESRZSA-N 1 2 337.807 0.611 20 70 ECIDLO Cc1conc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000160126733 436867657 /nfs/dbraw/zinc/86/76/57/436867657.db2.gz HISNDYWXDDLSQM-CYBMUJFWSA-N 1 2 338.408 0.785 20 70 ECIDLO Cn1c(=O)cccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160870337 436880392 /nfs/dbraw/zinc/88/03/92/436880392.db2.gz RAEHZUGQSXZPGV-INIZCTEOSA-N 1 2 337.445 0.323 20 70 ECIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000161044779 436883154 /nfs/dbraw/zinc/88/31/54/436883154.db2.gz LBXQJUHEFMQOQQ-LLVKDONJSA-N 1 2 345.403 0.155 20 70 ECIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000161044779 436883160 /nfs/dbraw/zinc/88/31/60/436883160.db2.gz LBXQJUHEFMQOQQ-LLVKDONJSA-N 1 2 345.403 0.155 20 70 ECIDLO CCCN(CC1CC1)S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160389468 296713678 /nfs/dbraw/zinc/71/36/78/296713678.db2.gz KJUWUEHMEWSIAG-AWEZNQCLSA-N 1 2 333.498 0.911 20 70 ECIDLO CCNC(=O)NC1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000160392533 164804055 /nfs/dbraw/zinc/80/40/55/164804055.db2.gz XENOXMQTDNDVIO-AWEZNQCLSA-N 1 2 338.452 0.598 20 70 ECIDLO CCNC(=O)NC1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000160392533 164804057 /nfs/dbraw/zinc/80/40/57/164804057.db2.gz XENOXMQTDNDVIO-AWEZNQCLSA-N 1 2 338.452 0.598 20 70 ECIDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159644142 436860037 /nfs/dbraw/zinc/86/00/37/436860037.db2.gz PQROKUUTWLSTSO-CQSZACIVSA-N 1 2 337.424 0.716 20 70 ECIDLO CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000159655030 436861279 /nfs/dbraw/zinc/86/12/79/436861279.db2.gz MPQICSQNTNELED-MJBXVCDLSA-N 1 2 332.466 0.115 20 70 ECIDLO CCN(C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000159655030 436861283 /nfs/dbraw/zinc/86/12/83/436861283.db2.gz MPQICSQNTNELED-MJBXVCDLSA-N 1 2 332.466 0.115 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@@H]21 ZINC000159708837 436863065 /nfs/dbraw/zinc/86/30/65/436863065.db2.gz VFXUFABZZZVUCV-UONOGXRCSA-N 1 2 339.342 0.236 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@@H]21 ZINC000159708837 436863069 /nfs/dbraw/zinc/86/30/69/436863069.db2.gz VFXUFABZZZVUCV-UONOGXRCSA-N 1 2 339.342 0.236 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc4c(c3)CCC4)C[C@@H]21 ZINC000159700665 436863387 /nfs/dbraw/zinc/86/33/87/436863387.db2.gz RZTKDYXXHGYCGS-IRXDYDNUSA-N 1 2 343.427 0.447 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc4c(c3)CCC4)C[C@@H]21 ZINC000159700665 436863393 /nfs/dbraw/zinc/86/33/93/436863393.db2.gz RZTKDYXXHGYCGS-IRXDYDNUSA-N 1 2 343.427 0.447 20 70 ECIDLO COc1ccccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160382652 436870489 /nfs/dbraw/zinc/87/04/89/436870489.db2.gz MTBQBZLBPBFVPE-CYBMUJFWSA-N 1 2 328.434 0.942 20 70 ECIDLO O=C(NCC[NH+]1CCOCC1)N1CCCN(c2cccnn2)CC1 ZINC000160768548 436878805 /nfs/dbraw/zinc/87/88/05/436878805.db2.gz RLTYZNGDZJCYRY-UHFFFAOYSA-N 1 2 334.424 0.031 20 70 ECIDLO CCCNC(=O)CN(C)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161208646 436885650 /nfs/dbraw/zinc/88/56/50/436885650.db2.gz NDQYRBWPOGPIDS-UHFFFAOYSA-N 1 2 347.463 0.184 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1CC ZINC000160354164 529696656 /nfs/dbraw/zinc/69/66/56/529696656.db2.gz ZMQNRGSHFSKWSU-GJZGRUSLSA-N 1 2 349.435 0.119 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1CC ZINC000160354164 529696659 /nfs/dbraw/zinc/69/66/59/529696659.db2.gz ZMQNRGSHFSKWSU-GJZGRUSLSA-N 1 2 349.435 0.119 20 70 ECIDLO CS(=O)(=O)Nc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000217282645 241244412 /nfs/dbraw/zinc/24/44/12/241244412.db2.gz OXHRGKIJWROHPB-UHFFFAOYSA-N 1 2 342.421 0.512 20 70 ECIDLO O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCC[NH+]1CCOCC1 ZINC000161178463 296715422 /nfs/dbraw/zinc/71/54/22/296715422.db2.gz ULPXUKBAPFKDOL-ONEGZZNKSA-N 1 2 343.387 0.506 20 70 ECIDLO Cc1ccc(C(=O)CC[NH+]2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000160629607 263147605 /nfs/dbraw/zinc/14/76/05/263147605.db2.gz FXWSWJCPELRMOC-UHFFFAOYSA-N 1 2 339.461 0.474 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)[nH]n1 ZINC000159686058 436860436 /nfs/dbraw/zinc/86/04/36/436860436.db2.gz AOEBCIAECWBXQY-GJZGRUSLSA-N 1 2 344.419 0.582 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)[nH]n1 ZINC000159686058 436860441 /nfs/dbraw/zinc/86/04/41/436860441.db2.gz AOEBCIAECWBXQY-GJZGRUSLSA-N 1 2 344.419 0.582 20 70 ECIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160098776 436868457 /nfs/dbraw/zinc/86/84/57/436868457.db2.gz ADNYQXRYBPJUQO-UHFFFAOYSA-N 1 2 344.419 0.204 20 70 ECIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160098776 436868461 /nfs/dbraw/zinc/86/84/61/436868461.db2.gz ADNYQXRYBPJUQO-UHFFFAOYSA-N 1 2 344.419 0.204 20 70 ECIDLO CC(C)CC[C@H]1CCC(=O)N(C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000160114864 436869325 /nfs/dbraw/zinc/86/93/25/436869325.db2.gz MFPBJLFHSOACHT-GJZGRUSLSA-N 1 2 326.437 0.881 20 70 ECIDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](CO)C1 ZINC000160914671 436880654 /nfs/dbraw/zinc/88/06/54/436880654.db2.gz CXOGHLUAGULCFP-DLBZAZTESA-N 1 2 333.432 0.911 20 70 ECIDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](CO)C1 ZINC000160914671 436880659 /nfs/dbraw/zinc/88/06/59/436880659.db2.gz CXOGHLUAGULCFP-DLBZAZTESA-N 1 2 333.432 0.911 20 70 ECIDLO CC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cnn(C)c1 ZINC000161133410 436883888 /nfs/dbraw/zinc/88/38/88/436883888.db2.gz IDJSIPXEGHINOS-UHFFFAOYSA-N 1 2 333.436 0.323 20 70 ECIDLO CC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cnn(C)c1 ZINC000161133410 436883891 /nfs/dbraw/zinc/88/38/91/436883891.db2.gz IDJSIPXEGHINOS-UHFFFAOYSA-N 1 2 333.436 0.323 20 70 ECIDLO CCN(CC)C(=O)CN1CCC[N@H+](CCCCS(C)(=O)=O)CC1 ZINC000161403192 545853229 /nfs/dbraw/zinc/85/32/29/545853229.db2.gz NSWBYHCDIPMVJZ-UHFFFAOYSA-N 1 2 347.525 0.687 20 70 ECIDLO CCN(CC)C(=O)CN1CCC[N@@H+](CCCCS(C)(=O)=O)CC1 ZINC000161403192 545853233 /nfs/dbraw/zinc/85/32/33/545853233.db2.gz NSWBYHCDIPMVJZ-UHFFFAOYSA-N 1 2 347.525 0.687 20 70 ECIDLO C[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)C(=O)N(C)C ZINC000161346107 296715950 /nfs/dbraw/zinc/71/59/50/296715950.db2.gz BODDIEXECYFHLF-BXKDBHETSA-N 1 2 339.358 0.215 20 70 ECIDLO CCS(=O)(=O)CCN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159465572 225223599 /nfs/dbraw/zinc/22/35/99/225223599.db2.gz POFZHDQXJKZGBG-UHFFFAOYSA-N 1 2 338.433 0.953 20 70 ECIDLO Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1C ZINC000159661825 436860806 /nfs/dbraw/zinc/86/08/06/436860806.db2.gz TUINYUZQMWOWDY-CVEARBPZSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1C ZINC000159661825 436860810 /nfs/dbraw/zinc/86/08/10/436860810.db2.gz TUINYUZQMWOWDY-CVEARBPZSA-N 1 2 331.416 0.575 20 70 ECIDLO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1COCC[NH2+]1 ZINC000160930660 436881042 /nfs/dbraw/zinc/88/10/42/436881042.db2.gz XOHXOAYAXKFTCU-OLZOCXBDSA-N 1 2 337.807 0.940 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000159689669 436862344 /nfs/dbraw/zinc/86/23/44/436862344.db2.gz XUIRDRNLEHPCCM-CVEARBPZSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000159689669 436862348 /nfs/dbraw/zinc/86/23/48/436862348.db2.gz XUIRDRNLEHPCCM-CVEARBPZSA-N 1 2 331.416 0.575 20 70 ECIDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000159884719 436864942 /nfs/dbraw/zinc/86/49/42/436864942.db2.gz CGAGBJFPSZHYTD-CQSZACIVSA-N 1 2 334.420 0.902 20 70 ECIDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000159884719 436864945 /nfs/dbraw/zinc/86/49/45/436864945.db2.gz CGAGBJFPSZHYTD-CQSZACIVSA-N 1 2 334.420 0.902 20 70 ECIDLO CC(C)CC[C@@H]1CCC(=O)N(C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000160114485 436868535 /nfs/dbraw/zinc/86/85/35/436868535.db2.gz MFPBJLFHSOACHT-HUUCEWRRSA-N 1 2 326.437 0.881 20 70 ECIDLO O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1COCC[NH2+]1 ZINC000160930522 436881259 /nfs/dbraw/zinc/88/12/59/436881259.db2.gz XOHXOAYAXKFTCU-STQMWFEESA-N 1 2 337.807 0.940 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)no2)c1 ZINC000160549917 545849389 /nfs/dbraw/zinc/84/93/89/545849389.db2.gz DWAUMUQMGCKDOT-DOMZBBRYSA-N 1 2 333.392 0.677 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)no2)c1 ZINC000160549917 545849395 /nfs/dbraw/zinc/84/93/95/545849395.db2.gz DWAUMUQMGCKDOT-DOMZBBRYSA-N 1 2 333.392 0.677 20 70 ECIDLO CC(C)(C(N)=O)c1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000159870962 164801993 /nfs/dbraw/zinc/80/19/93/164801993.db2.gz SBAGJTFAPFTLIX-UHFFFAOYSA-N 1 2 334.420 0.903 20 70 ECIDLO C[C@H](Cn1cncn1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159880401 225295684 /nfs/dbraw/zinc/29/56/84/225295684.db2.gz CFAPTIKQJBBZRW-CQSZACIVSA-N 1 2 329.408 0.589 20 70 ECIDLO O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCN(c2cccnn2)CC1 ZINC000160170031 225353959 /nfs/dbraw/zinc/35/39/59/225353959.db2.gz SZMFTSGVHNGSIU-UHFFFAOYSA-N 1 2 344.419 0.463 20 70 ECIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159380346 436857331 /nfs/dbraw/zinc/85/73/31/436857331.db2.gz YUALAGKRCJAHCL-UONOGXRCSA-N 1 2 337.424 0.762 20 70 ECIDLO CCn1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000159462576 436859283 /nfs/dbraw/zinc/85/92/83/436859283.db2.gz PNWSIWFJRNWECJ-UHFFFAOYSA-N 1 2 344.481 0.882 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@@H]21 ZINC000159677974 436859964 /nfs/dbraw/zinc/85/99/64/436859964.db2.gz SUANHCBQDMMYMP-GJZGRUSLSA-N 1 2 335.379 0.026 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@@H]21 ZINC000159677974 436859969 /nfs/dbraw/zinc/85/99/69/436859969.db2.gz SUANHCBQDMMYMP-GJZGRUSLSA-N 1 2 335.379 0.026 20 70 ECIDLO C[C@@H](CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000159664395 436860677 /nfs/dbraw/zinc/86/06/77/436860677.db2.gz RBAHXOCXWKDQEW-CWRNSKLLSA-N 1 2 331.416 0.736 20 70 ECIDLO C[C@@H](CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000159664395 436860681 /nfs/dbraw/zinc/86/06/81/436860681.db2.gz RBAHXOCXWKDQEW-CWRNSKLLSA-N 1 2 331.416 0.736 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000159658235 436860921 /nfs/dbraw/zinc/86/09/21/436860921.db2.gz OVVMTPACAQRTMB-CABCVRRESA-N 1 2 332.404 0.658 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000159658235 436860928 /nfs/dbraw/zinc/86/09/28/436860928.db2.gz OVVMTPACAQRTMB-CABCVRRESA-N 1 2 332.404 0.658 20 70 ECIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000159832599 436863548 /nfs/dbraw/zinc/86/35/48/436863548.db2.gz ROIKPDHOWFNCGI-CQSZACIVSA-N 1 2 329.360 0.131 20 70 ECIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000159832599 436863551 /nfs/dbraw/zinc/86/35/51/436863551.db2.gz ROIKPDHOWFNCGI-CQSZACIVSA-N 1 2 329.360 0.131 20 70 ECIDLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)C[NH+]1CCOCC1 ZINC000160383666 436871850 /nfs/dbraw/zinc/87/18/50/436871850.db2.gz YHOQNYWSACRCNN-ZDUSSCGKSA-N 1 2 340.445 0.868 20 70 ECIDLO CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000160506092 296713512 /nfs/dbraw/zinc/71/35/12/296713512.db2.gz AOOSCBPAQAHJGN-WDEREUQCSA-N 1 2 338.408 0.709 20 70 ECIDLO Cn1c(=O)cccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160870202 164805303 /nfs/dbraw/zinc/80/53/03/164805303.db2.gz RAEHZUGQSXZPGV-MRXNPFEDSA-N 1 2 337.445 0.323 20 70 ECIDLO Cn1cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C(N)=O ZINC000159361041 225201607 /nfs/dbraw/zinc/20/16/07/225201607.db2.gz NLWBBEBZAMCFMY-NSHDSACASA-N 1 2 349.416 0.076 20 70 ECIDLO O=C(C[C@H]1COC(=O)C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160031064 225323240 /nfs/dbraw/zinc/32/32/40/225323240.db2.gz VTEBOALBAOZHPK-CQSZACIVSA-N 1 2 342.399 0.932 20 70 ECIDLO C[C@@]1(O)CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000160243461 225369508 /nfs/dbraw/zinc/36/95/08/225369508.db2.gz ORRAWYBXHQGNEZ-QGZVFWFLSA-N 1 2 334.420 0.975 20 70 ECIDLO Cn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccccn1 ZINC000159510753 436857202 /nfs/dbraw/zinc/85/72/02/436857202.db2.gz FYLZRRLVLADOOB-UHFFFAOYSA-N 1 2 332.433 0.743 20 70 ECIDLO Cc1c[nH+]ccc1NC(=O)c1cc(C)c2c(n1)n(C)c(=O)n(C)c2=O ZINC000159392205 436858258 /nfs/dbraw/zinc/85/82/58/436858258.db2.gz PJTQLMKOHQFVTB-UHFFFAOYSA-N 1 2 339.355 0.896 20 70 ECIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000159474943 436858874 /nfs/dbraw/zinc/85/88/74/436858874.db2.gz KMBANOHWCIQIMW-AWEZNQCLSA-N 1 2 348.422 0.463 20 70 ECIDLO C[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1cccs1 ZINC000159822860 436862557 /nfs/dbraw/zinc/86/25/57/436862557.db2.gz LGMWGCRDXUTHJW-LBPRGKRZSA-N 1 2 325.434 0.416 20 70 ECIDLO O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCN(CC(F)F)CC1 ZINC000159844396 436862754 /nfs/dbraw/zinc/86/27/54/436862754.db2.gz IUJMAYWLNGVSDF-UHFFFAOYSA-N 1 2 330.379 0.734 20 70 ECIDLO O=C(CNC(=O)c1ccc(F)c(Cl)c1)NCC[NH+]1CCOCC1 ZINC000159906855 436864775 /nfs/dbraw/zinc/86/47/75/436864775.db2.gz FTVDGGJQCLLXEP-UHFFFAOYSA-N 1 2 343.786 0.657 20 70 ECIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000160275039 436871638 /nfs/dbraw/zinc/87/16/38/436871638.db2.gz PZKFCSMWGJWPSW-UHFFFAOYSA-N 1 2 340.468 0.209 20 70 ECIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000160275039 436871642 /nfs/dbraw/zinc/87/16/42/436871642.db2.gz PZKFCSMWGJWPSW-UHFFFAOYSA-N 1 2 340.468 0.209 20 70 ECIDLO CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000160506220 436873744 /nfs/dbraw/zinc/87/37/44/436873744.db2.gz AOOSCBPAQAHJGN-GHMZBOCLSA-N 1 2 338.408 0.709 20 70 ECIDLO Cn1cc[nH+]c1CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000160789878 436879039 /nfs/dbraw/zinc/87/90/39/436879039.db2.gz RWKNEXNDMOGTSZ-UHFFFAOYSA-N 1 2 335.433 0.390 20 70 ECIDLO CCOC(=O)C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000160851646 436879119 /nfs/dbraw/zinc/87/91/19/436879119.db2.gz SUGHXSYGHDOKGQ-CQSZACIVSA-N 1 2 334.420 0.662 20 70 ECIDLO CS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161062966 436883490 /nfs/dbraw/zinc/88/34/90/436883490.db2.gz LYULFZDDSJJWGI-LBPRGKRZSA-N 1 2 326.422 0.394 20 70 ECIDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CCNC(=O)C1 ZINC000159722426 545848341 /nfs/dbraw/zinc/84/83/41/545848341.db2.gz UEGBTRKFMACOEQ-HOTGVXAUSA-N 1 2 331.416 0.702 20 70 ECIDLO CN1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1=O ZINC000160335399 529820203 /nfs/dbraw/zinc/82/02/03/529820203.db2.gz ISUDZFSIWYWWLG-HNNXBMFYSA-N 1 2 331.420 0.530 20 70 ECIDLO COC[C@H](O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159442801 533115393 /nfs/dbraw/zinc/11/53/93/533115393.db2.gz JBGDNANBBXITQL-XJKSGUPXSA-N 1 2 339.411 0.460 20 70 ECIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000160595742 296714108 /nfs/dbraw/zinc/71/41/08/296714108.db2.gz ORYHZGOBIUOJHV-OLZOCXBDSA-N 1 2 336.440 0.695 20 70 ECIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N[C@H](C)CC)CC2)n1 ZINC000160751977 263147570 /nfs/dbraw/zinc/14/75/70/263147570.db2.gz QLMPOZNYLMZBPO-CYBMUJFWSA-N 1 2 335.452 0.777 20 70 ECIDLO CCOC(=O)C[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000160851779 436879664 /nfs/dbraw/zinc/87/96/64/436879664.db2.gz SUGHXSYGHDOKGQ-AWEZNQCLSA-N 1 2 334.420 0.662 20 70 ECIDLO CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1cnn(C)c1 ZINC000161132452 436883350 /nfs/dbraw/zinc/88/33/50/436883350.db2.gz JWFNJXBTTTZVFI-AWEZNQCLSA-N 1 2 335.452 0.759 20 70 ECIDLO CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1cnn(C)c1 ZINC000161132452 436883351 /nfs/dbraw/zinc/88/33/51/436883351.db2.gz JWFNJXBTTTZVFI-AWEZNQCLSA-N 1 2 335.452 0.759 20 70 ECIDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CCNC(=O)C1 ZINC000159676398 436860770 /nfs/dbraw/zinc/86/07/70/436860770.db2.gz AWTZOQQXLYIISL-STQMWFEESA-N 1 2 337.445 0.764 20 70 ECIDLO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CCNC(=O)C1 ZINC000159676293 436861376 /nfs/dbraw/zinc/86/13/76/436861376.db2.gz AWTZOQQXLYIISL-QWHCGFSZSA-N 1 2 337.445 0.764 20 70 ECIDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CCNC(=O)C1 ZINC000159676199 436861782 /nfs/dbraw/zinc/86/17/82/436861782.db2.gz AWTZOQQXLYIISL-OLZOCXBDSA-N 1 2 337.445 0.764 20 70 ECIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCS1(=O)=O ZINC000159783550 436863494 /nfs/dbraw/zinc/86/34/94/436863494.db2.gz SPEQDQZITKBHFP-ZDUSSCGKSA-N 1 2 340.449 0.638 20 70 ECIDLO CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000160249274 436868126 /nfs/dbraw/zinc/86/81/26/436868126.db2.gz YAHOUDCHIXCITP-LBPRGKRZSA-N 1 2 326.422 0.524 20 70 ECIDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160683479 436876597 /nfs/dbraw/zinc/87/65/97/436876597.db2.gz QWUGJAQHKWDTOV-LBPRGKRZSA-N 1 2 345.403 0.678 20 70 ECIDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160900071 436882004 /nfs/dbraw/zinc/88/20/04/436882004.db2.gz CBJCZQFJCCYHTG-UHFFFAOYSA-N 1 2 349.357 0.913 20 70 ECIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000161044653 436884333 /nfs/dbraw/zinc/88/43/33/436884333.db2.gz LBXQJUHEFMQOQQ-NSHDSACASA-N 1 2 345.403 0.155 20 70 ECIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000161044653 436884337 /nfs/dbraw/zinc/88/43/37/436884337.db2.gz LBXQJUHEFMQOQQ-NSHDSACASA-N 1 2 345.403 0.155 20 70 ECIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000161195851 436886051 /nfs/dbraw/zinc/88/60/51/436886051.db2.gz LKKPNECPVXAAGD-HNNXBMFYSA-N 1 2 325.453 0.958 20 70 ECIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000161195851 436886053 /nfs/dbraw/zinc/88/60/53/436886053.db2.gz LKKPNECPVXAAGD-HNNXBMFYSA-N 1 2 325.453 0.958 20 70 ECIDLO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000161214666 436886402 /nfs/dbraw/zinc/88/64/02/436886402.db2.gz LDHKJBKXIGZSAI-CYBMUJFWSA-N 1 2 327.388 0.801 20 70 ECIDLO CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160136919 526597784 /nfs/dbraw/zinc/59/77/84/526597784.db2.gz YGDQUZNDDPAVDC-GFCCVEGCSA-N 1 2 325.434 0.990 20 70 ECIDLO COC(=O)[C@H](c1cccnc1)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160019163 296712669 /nfs/dbraw/zinc/71/26/69/296712669.db2.gz RBTFWLDZMPUDQA-INIZCTEOSA-N 1 2 329.404 0.847 20 70 ECIDLO O=C(CNC(=O)c1cccnc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160090784 296712672 /nfs/dbraw/zinc/71/26/72/296712672.db2.gz ZOXKRKNSHNCOSO-UHFFFAOYSA-N 1 2 339.399 0.551 20 70 ECIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cnn(C)c1 ZINC000159475701 164799125 /nfs/dbraw/zinc/79/91/25/164799125.db2.gz RHCGXVMIQFFHKQ-UHFFFAOYSA-N 1 2 330.454 0.399 20 70 ECIDLO CC(C)Cn1cnc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000160821288 279259471 /nfs/dbraw/zinc/25/94/71/279259471.db2.gz CKPGNALHRDOPHT-UHFFFAOYSA-N 1 2 344.481 0.616 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C[C@@H]21 ZINC000159699974 436863587 /nfs/dbraw/zinc/86/35/87/436863587.db2.gz VUFZMJJIGROHFW-UONOGXRCSA-N 1 2 339.342 0.236 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C[C@@H]21 ZINC000159699974 436863590 /nfs/dbraw/zinc/86/35/90/436863590.db2.gz VUFZMJJIGROHFW-UONOGXRCSA-N 1 2 339.342 0.236 20 70 ECIDLO COC(=O)[C@@H](c1cccnc1)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160019255 436865640 /nfs/dbraw/zinc/86/56/40/436865640.db2.gz RBTFWLDZMPUDQA-MRXNPFEDSA-N 1 2 329.404 0.847 20 70 ECIDLO Cc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1 ZINC000159866015 436865660 /nfs/dbraw/zinc/86/56/60/436865660.db2.gz PIKYRLRHUNUHDW-UHFFFAOYSA-N 1 2 330.388 0.183 20 70 ECIDLO CC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000160659261 436878171 /nfs/dbraw/zinc/87/81/71/436878171.db2.gz RAABQCXWTVHREV-UHFFFAOYSA-N 1 2 349.815 0.904 20 70 ECIDLO CNC(=O)C(C)(C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160853960 436879898 /nfs/dbraw/zinc/87/98/98/436879898.db2.gz UZIUZILULDCTRV-UHFFFAOYSA-N 1 2 333.436 0.681 20 70 ECIDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](CO)C1 ZINC000160914795 436881751 /nfs/dbraw/zinc/88/17/51/436881751.db2.gz CXOGHLUAGULCFP-IRXDYDNUSA-N 1 2 333.432 0.911 20 70 ECIDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](CO)C1 ZINC000160914795 436881753 /nfs/dbraw/zinc/88/17/53/436881753.db2.gz CXOGHLUAGULCFP-IRXDYDNUSA-N 1 2 333.432 0.911 20 70 ECIDLO Cc1nc(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc[nH+]1 ZINC000160892401 436882084 /nfs/dbraw/zinc/88/20/84/436882084.db2.gz QXXXFDHKQBVKNT-AWEZNQCLSA-N 1 2 327.388 0.800 20 70 ECIDLO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CCNC(=O)C1 ZINC000159676064 296711922 /nfs/dbraw/zinc/71/19/22/296711922.db2.gz AWTZOQQXLYIISL-CHWSQXEVSA-N 1 2 337.445 0.764 20 70 ECIDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCNC(=O)C1 ZINC000159673972 436860842 /nfs/dbraw/zinc/86/08/42/436860842.db2.gz JLEHLDFABYGDCZ-CVEARBPZSA-N 1 2 331.416 0.530 20 70 ECIDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCNC(=O)C1 ZINC000159673972 436860845 /nfs/dbraw/zinc/86/08/45/436860845.db2.gz JLEHLDFABYGDCZ-CVEARBPZSA-N 1 2 331.416 0.530 20 70 ECIDLO Cc1nc(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc[nH+]1 ZINC000160892510 296715011 /nfs/dbraw/zinc/71/50/11/296715011.db2.gz QXXXFDHKQBVKNT-CQSZACIVSA-N 1 2 327.388 0.800 20 70 ECIDLO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161181192 436885263 /nfs/dbraw/zinc/88/52/63/436885263.db2.gz IBGARUVESHOCQE-WBVHZDCISA-N 1 2 332.448 0.883 20 70 ECIDLO C[C@H](NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)C(=O)N(C)C ZINC000161345992 296715916 /nfs/dbraw/zinc/71/59/16/296715916.db2.gz BODDIEXECYFHLF-JOYOIKCWSA-N 1 2 339.358 0.215 20 70 ECIDLO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161181417 225567749 /nfs/dbraw/zinc/56/77/49/225567749.db2.gz IBGARUVESHOCQE-NVXWUHKLSA-N 1 2 332.448 0.883 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000159683433 436860827 /nfs/dbraw/zinc/86/08/27/436860827.db2.gz ASODRHDDTCQZKT-HZPDHXFCSA-N 1 2 346.431 0.336 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000159683433 436860833 /nfs/dbraw/zinc/86/08/33/436860833.db2.gz ASODRHDDTCQZKT-HZPDHXFCSA-N 1 2 346.431 0.336 20 70 ECIDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160683602 436876611 /nfs/dbraw/zinc/87/66/11/436876611.db2.gz QWUGJAQHKWDTOV-GFCCVEGCSA-N 1 2 345.403 0.678 20 70 ECIDLO COc1ccsc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160823691 436879310 /nfs/dbraw/zinc/87/93/10/436879310.db2.gz XZLJALYSNPIXDE-UHFFFAOYSA-N 1 2 334.463 0.834 20 70 ECIDLO CN(C)C(=O)CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159609538 225249127 /nfs/dbraw/zinc/24/91/27/225249127.db2.gz DFLRDVSIFXSTMG-UHFFFAOYSA-N 1 2 333.436 0.777 20 70 ECIDLO Cn1cnc2cc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cnc21 ZINC000159910893 436865468 /nfs/dbraw/zinc/86/54/68/436865468.db2.gz SXIUHGLPRRDOJO-CQSZACIVSA-N 1 2 329.404 0.905 20 70 ECIDLO C[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)[NH+]1CCOCC1 ZINC000159893015 436866065 /nfs/dbraw/zinc/86/60/65/436866065.db2.gz BRHGCKBXCXBQCJ-OLZOCXBDSA-N 1 2 336.440 0.695 20 70 ECIDLO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCCn2cc[nH+]c2)co1 ZINC000160068987 436867983 /nfs/dbraw/zinc/86/79/83/436867983.db2.gz MNCNGKXSQUOQCW-UHFFFAOYSA-N 1 2 340.405 0.889 20 70 ECIDLO C[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000160642320 436875262 /nfs/dbraw/zinc/87/52/62/436875262.db2.gz AOAFRQLXMKRMIR-UHFFFAOYSA-N 1 2 335.788 0.514 20 70 ECIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000160805369 436879161 /nfs/dbraw/zinc/87/91/61/436879161.db2.gz OUZRGGVISYHFDW-UHFFFAOYSA-N 1 2 333.498 0.296 20 70 ECIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000160805369 436879165 /nfs/dbraw/zinc/87/91/65/436879165.db2.gz OUZRGGVISYHFDW-UHFFFAOYSA-N 1 2 333.498 0.296 20 70 ECIDLO CNS(=O)(=O)c1cc(C(=O)NCCc2cn3ccccc3[nH+]2)co1 ZINC000161435929 436888683 /nfs/dbraw/zinc/88/86/83/436888683.db2.gz JNXQVCAHFWXATA-UHFFFAOYSA-N 1 2 348.384 0.808 20 70 ECIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000159655049 529898386 /nfs/dbraw/zinc/89/83/86/529898386.db2.gz YCGKXQZTGSBRMM-LBPRGKRZSA-N 1 2 330.454 0.696 20 70 ECIDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)onc2CC)CC1 ZINC000160932651 296714830 /nfs/dbraw/zinc/71/48/30/296714830.db2.gz XEDBSCBIACYKPL-UHFFFAOYSA-N 1 2 338.408 0.665 20 70 ECIDLO C[C@H](CNS(=O)(=O)c1c[nH]c2ncccc12)C[NH+]1CCOCC1 ZINC000160369688 225397677 /nfs/dbraw/zinc/39/76/77/225397677.db2.gz DHLDVSUFONOHOP-GFCCVEGCSA-N 1 2 338.433 0.810 20 70 ECIDLO CCC[C@@H](O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160414221 436871374 /nfs/dbraw/zinc/87/13/74/436871374.db2.gz OOUKFXIVJRMKIT-OAHLLOKOSA-N 1 2 348.447 0.788 20 70 ECIDLO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000160595856 436875991 /nfs/dbraw/zinc/87/59/91/436875991.db2.gz ORYHZGOBIUOJHV-QWHCGFSZSA-N 1 2 336.440 0.695 20 70 ECIDLO C[C@@H](CNS(=O)(=O)c1c[nH]c2ncccc12)C[NH+]1CCOCC1 ZINC000160369577 534072380 /nfs/dbraw/zinc/07/23/80/534072380.db2.gz DHLDVSUFONOHOP-LBPRGKRZSA-N 1 2 338.433 0.810 20 70 ECIDLO O=C(C[N@H+]1CCCN(C(=O)c2cccc(F)n2)CC1)N1CCCC1 ZINC000159736644 206260009 /nfs/dbraw/zinc/26/00/09/206260009.db2.gz RFYBWMQKLIPSFL-UHFFFAOYSA-N 1 2 334.395 0.991 20 70 ECIDLO O=C(C[N@@H+]1CCCN(C(=O)c2cccc(F)n2)CC1)N1CCCC1 ZINC000159736644 206260016 /nfs/dbraw/zinc/26/00/16/206260016.db2.gz RFYBWMQKLIPSFL-UHFFFAOYSA-N 1 2 334.395 0.991 20 70 ECIDLO CCC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160752205 206311506 /nfs/dbraw/zinc/31/15/06/206311506.db2.gz OVQKRQFWEDYWGX-INIZCTEOSA-N 1 2 345.447 0.920 20 70 ECIDLO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160604025 206306083 /nfs/dbraw/zinc/30/60/83/206306083.db2.gz WRMVOCJQLKECGX-HNNXBMFYSA-N 1 2 343.431 0.672 20 70 ECIDLO Cc1ccc([C@H](CNC(=O)C2(NC(N)=O)CC2)[NH+]2CCOCC2)cc1 ZINC000161377440 206344984 /nfs/dbraw/zinc/34/49/84/206344984.db2.gz VGVZTEUCAUDQKA-HNNXBMFYSA-N 1 2 346.431 0.685 20 70 ECIDLO Cn1nnnc1SCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161295704 296715438 /nfs/dbraw/zinc/71/54/38/296715438.db2.gz CLWVAWCDLTXUBQ-NSHDSACASA-N 1 2 333.421 0.482 20 70 ECIDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161227205 296715490 /nfs/dbraw/zinc/71/54/90/296715490.db2.gz MMNPGZOFWGQJDN-LDYMZIIASA-N 1 2 337.342 0.998 20 70 ECIDLO Cc1nc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cn1C ZINC000159468051 436858204 /nfs/dbraw/zinc/85/82/04/436858204.db2.gz ZUMXWTGSONSPFI-UHFFFAOYSA-N 1 2 344.481 0.707 20 70 ECIDLO CCS(=O)(=O)CCN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159606518 436860543 /nfs/dbraw/zinc/86/05/43/436860543.db2.gz FAZJCIRHDJKPRF-UHFFFAOYSA-N 1 2 342.465 0.838 20 70 ECIDLO CC1CCN(C(=O)C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000159431800 206245587 /nfs/dbraw/zinc/24/55/87/206245587.db2.gz AYXOFRUQQQYPDT-UHFFFAOYSA-N 1 2 346.431 0.391 20 70 ECIDLO CC(C)N1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000160228441 206285050 /nfs/dbraw/zinc/28/50/50/206285050.db2.gz DUDXHFHXFUZIDJ-INIZCTEOSA-N 1 2 345.447 0.918 20 70 ECIDLO O=C1CNC(=O)N1CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160614889 436874217 /nfs/dbraw/zinc/87/42/17/436874217.db2.gz DNJSYGUXMFQKPJ-GFCCVEGCSA-N 1 2 332.408 0.693 20 70 ECIDLO O=C1CNC(=O)N1CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160614889 436874222 /nfs/dbraw/zinc/87/42/22/436874222.db2.gz DNJSYGUXMFQKPJ-GFCCVEGCSA-N 1 2 332.408 0.693 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000159715790 436864205 /nfs/dbraw/zinc/86/42/05/436864205.db2.gz KQQNNISXIAIRLQ-DLBZAZTESA-N 1 2 345.443 0.585 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000159715790 436864211 /nfs/dbraw/zinc/86/42/11/436864211.db2.gz KQQNNISXIAIRLQ-DLBZAZTESA-N 1 2 345.443 0.585 20 70 ECIDLO C[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)[NH+]1CCOCC1 ZINC000159892893 436866079 /nfs/dbraw/zinc/86/60/79/436866079.db2.gz BRHGCKBXCXBQCJ-STQMWFEESA-N 1 2 336.440 0.695 20 70 ECIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000160548072 436875200 /nfs/dbraw/zinc/87/52/00/436875200.db2.gz IQMBGIUSXDJEAH-UHFFFAOYSA-N 1 2 334.420 0.815 20 70 ECIDLO C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)Oc1cccc(Cl)c1 ZINC000161403153 436890649 /nfs/dbraw/zinc/89/06/49/436890649.db2.gz FCTQJAMFTYYDHE-NSHDSACASA-N 1 2 325.796 0.655 20 70 ECIDLO O=C(CCS(=O)(=O)NCCn1cc[nH+]c1)OCc1ccccc1 ZINC000159668030 206257725 /nfs/dbraw/zinc/25/77/25/206257725.db2.gz HYHILJIZLXZKEX-UHFFFAOYSA-N 1 2 337.401 0.936 20 70 ECIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000160656788 436874321 /nfs/dbraw/zinc/87/43/21/436874321.db2.gz OVIRAGOTMZRKKN-UHFFFAOYSA-N 1 2 326.484 0.167 20 70 ECIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000160656788 436874324 /nfs/dbraw/zinc/87/43/24/436874324.db2.gz OVIRAGOTMZRKKN-UHFFFAOYSA-N 1 2 326.484 0.167 20 70 ECIDLO CC1(C)CCC(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000159907001 436866193 /nfs/dbraw/zinc/86/61/93/436866193.db2.gz GQBXQLHZMQWFQY-UHFFFAOYSA-N 1 2 325.453 0.767 20 70 ECIDLO CCc1cc(=O)[nH]c(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000160621203 545850343 /nfs/dbraw/zinc/85/03/43/545850343.db2.gz JOXNHFVMLKLHLJ-LBPRGKRZSA-N 1 2 333.436 0.529 20 70 ECIDLO Cn1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000159447506 206246990 /nfs/dbraw/zinc/24/69/90/206246990.db2.gz XXKZWADUAUIZRA-UHFFFAOYSA-N 1 2 342.403 0.883 20 70 ECIDLO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000160070799 206277933 /nfs/dbraw/zinc/27/79/33/206277933.db2.gz BUKWTXBBRHHCSE-UHFFFAOYSA-N 1 2 342.403 0.318 20 70 ECIDLO CCS(=O)(=O)NCc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000160451496 206297932 /nfs/dbraw/zinc/29/79/32/206297932.db2.gz QOWRDEICNMYRSV-UHFFFAOYSA-N 1 2 336.417 0.752 20 70 ECIDLO CNC(=O)COc1cccc(CC(=O)NCCCn2cc[nH+]c2)c1 ZINC000160939498 206319339 /nfs/dbraw/zinc/31/93/39/206319339.db2.gz GGGNDBKMLHKGFF-UHFFFAOYSA-N 1 2 330.388 0.757 20 70 ECIDLO CC[C@H](O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161281568 206339466 /nfs/dbraw/zinc/33/94/66/206339466.db2.gz NASRXLKBSGOOKI-HNNXBMFYSA-N 1 2 348.447 0.788 20 70 ECIDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286835 165086832 /nfs/dbraw/zinc/08/68/32/165086832.db2.gz XMMCSIWHCWQEIB-MRXNPFEDSA-N 1 2 346.431 0.419 20 70 ECIDLO CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160728173 545849573 /nfs/dbraw/zinc/84/95/73/545849573.db2.gz OMLOSQANWBSBRC-YUTCNCBUSA-N 1 2 332.466 0.113 20 70 ECIDLO CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160728173 545849575 /nfs/dbraw/zinc/84/95/75/545849575.db2.gz OMLOSQANWBSBRC-YUTCNCBUSA-N 1 2 332.466 0.113 20 70 ECIDLO Cc1sc(=O)n(CCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1C ZINC000160371493 436871723 /nfs/dbraw/zinc/87/17/23/436871723.db2.gz BWTCDHVMFFAAQR-AWEZNQCLSA-N 1 2 339.461 0.896 20 70 ECIDLO Cc1sc(=O)n(CCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1C ZINC000160371493 436871727 /nfs/dbraw/zinc/87/17/27/436871727.db2.gz BWTCDHVMFFAAQR-AWEZNQCLSA-N 1 2 339.461 0.896 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]21 ZINC000160519782 436872737 /nfs/dbraw/zinc/87/27/37/436872737.db2.gz OUPUSCBSQLSYOO-VHSXEESVSA-N 1 2 333.314 0.992 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]21 ZINC000160519782 436872738 /nfs/dbraw/zinc/87/27/38/436872738.db2.gz OUPUSCBSQLSYOO-VHSXEESVSA-N 1 2 333.314 0.992 20 70 ECIDLO CCCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000160631942 436875433 /nfs/dbraw/zinc/87/54/33/436875433.db2.gz WLKBNTFSVRIIFL-ZIAGYGMSSA-N 1 2 325.453 0.860 20 70 ECIDLO CS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161062878 436883472 /nfs/dbraw/zinc/88/34/72/436883472.db2.gz LYULFZDDSJJWGI-GFCCVEGCSA-N 1 2 326.422 0.394 20 70 ECIDLO C[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)C[NH+]1CCOCC1 ZINC000160389772 206295060 /nfs/dbraw/zinc/29/50/60/206295060.db2.gz DUUMFDZKGXASCM-SNVBAGLBSA-N 1 2 336.845 0.320 20 70 ECIDLO C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCS1(=O)=O ZINC000160768934 206312323 /nfs/dbraw/zinc/31/23/23/206312323.db2.gz PFIPZKIDFMBLBV-OLZOCXBDSA-N 1 2 340.449 0.309 20 70 ECIDLO C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCS1(=O)=O ZINC000160768934 206312326 /nfs/dbraw/zinc/31/23/26/206312326.db2.gz PFIPZKIDFMBLBV-OLZOCXBDSA-N 1 2 340.449 0.309 20 70 ECIDLO CNS(=O)(=O)c1cc(C(=O)NCc2cn3ccccc3[nH+]2)co1 ZINC000159493934 436859114 /nfs/dbraw/zinc/85/91/14/436859114.db2.gz OFQPXMMNCUMCMO-UHFFFAOYSA-N 1 2 334.357 0.765 20 70 ECIDLO Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C ZINC000159661953 436859811 /nfs/dbraw/zinc/85/98/11/436859811.db2.gz TUINYUZQMWOWDY-HOTGVXAUSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C ZINC000159661953 436859821 /nfs/dbraw/zinc/85/98/21/436859821.db2.gz TUINYUZQMWOWDY-HOTGVXAUSA-N 1 2 331.416 0.575 20 70 ECIDLO CC(C)CC[C@@H]1CCC(=O)N(C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000160114742 436868949 /nfs/dbraw/zinc/86/89/49/436868949.db2.gz MFPBJLFHSOACHT-CABCVRRESA-N 1 2 326.437 0.881 20 70 ECIDLO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160375171 436871097 /nfs/dbraw/zinc/87/10/97/436871097.db2.gz RJRYUYCREAGSDQ-LBPRGKRZSA-N 1 2 338.367 0.858 20 70 ECIDLO Cn1cnnc1CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000160797097 436879405 /nfs/dbraw/zinc/87/94/05/436879405.db2.gz CGURVFCZNRNWKO-UHFFFAOYSA-N 1 2 340.431 0.522 20 70 ECIDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1CCOCC1 ZINC000161225948 436884806 /nfs/dbraw/zinc/88/48/06/436884806.db2.gz VLSPGTZINZUXNB-KBPBESRZSA-N 1 2 337.464 0.860 20 70 ECIDLO CC[C@@H](O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161281656 206338923 /nfs/dbraw/zinc/33/89/23/206338923.db2.gz NASRXLKBSGOOKI-OAHLLOKOSA-N 1 2 348.447 0.788 20 70 ECIDLO O=C([C@H]1CCNC(=O)C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160169146 296713056 /nfs/dbraw/zinc/71/30/56/296713056.db2.gz LAKXQRAGYWLMKQ-AWEZNQCLSA-N 1 2 341.415 0.505 20 70 ECIDLO O=C(NC[C@H]1CCCS1(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159867692 436865967 /nfs/dbraw/zinc/86/59/67/436865967.db2.gz PYBTWRGAVQXDPF-CYBMUJFWSA-N 1 2 338.433 0.490 20 70 ECIDLO C[C@H](CNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000160388462 436870552 /nfs/dbraw/zinc/87/05/52/436870552.db2.gz DVMIULGATHOHOC-SOUVJXGZSA-N 1 2 333.498 0.767 20 70 ECIDLO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160375034 436871301 /nfs/dbraw/zinc/87/13/01/436871301.db2.gz RJRYUYCREAGSDQ-GFCCVEGCSA-N 1 2 338.367 0.858 20 70 ECIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCCc1ccc(F)cc1 ZINC000161181755 436885524 /nfs/dbraw/zinc/88/55/24/436885524.db2.gz JFIJZMSNENJVAL-UHFFFAOYSA-N 1 2 339.392 0.833 20 70 ECIDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3nncn3C)CC2)C1 ZINC000160722038 296714496 /nfs/dbraw/zinc/71/44/96/296714496.db2.gz NPRAKTQYHORADZ-HUUCEWRRSA-N 1 2 334.468 0.437 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@@H]21 ZINC000159678109 436861633 /nfs/dbraw/zinc/86/16/33/436861633.db2.gz SUANHCBQDMMYMP-LSDHHAIUSA-N 1 2 335.379 0.026 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@@H]21 ZINC000159678109 436861640 /nfs/dbraw/zinc/86/16/40/436861640.db2.gz SUANHCBQDMMYMP-LSDHHAIUSA-N 1 2 335.379 0.026 20 70 ECIDLO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)o1 ZINC000160637666 436874785 /nfs/dbraw/zinc/87/47/85/436874785.db2.gz PCRFXROKSABZBZ-UHFFFAOYSA-N 1 2 326.418 0.992 20 70 ECIDLO COC[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159442898 533114883 /nfs/dbraw/zinc/11/48/83/533114883.db2.gz JBGDNANBBXITQL-CZUORRHYSA-N 1 2 339.411 0.460 20 70 ECIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000161174663 436884940 /nfs/dbraw/zinc/88/49/40/436884940.db2.gz HUYOGCHBTNNPSR-UHFFFAOYSA-N 1 2 346.412 0.972 20 70 ECIDLO Cc1ccc([C@@H](CNC(=O)C2(NC(N)=O)CC2)[NH+]2CCOCC2)cc1 ZINC000161377314 436889761 /nfs/dbraw/zinc/88/97/61/436889761.db2.gz VGVZTEUCAUDQKA-OAHLLOKOSA-N 1 2 346.431 0.685 20 70 ECIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000159790443 533712069 /nfs/dbraw/zinc/71/20/69/533712069.db2.gz RNYFHZIXJLVBRP-HNNXBMFYSA-N 1 2 343.387 0.439 20 70 ECIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000159790443 533712077 /nfs/dbraw/zinc/71/20/77/533712077.db2.gz RNYFHZIXJLVBRP-HNNXBMFYSA-N 1 2 343.387 0.439 20 70 ECIDLO C[C@H](CNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000160388322 436871079 /nfs/dbraw/zinc/87/10/79/436871079.db2.gz DVMIULGATHOHOC-QLFBSQMISA-N 1 2 333.498 0.767 20 70 ECIDLO C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCS1(=O)=O ZINC000160769086 436880291 /nfs/dbraw/zinc/88/02/91/436880291.db2.gz PFIPZKIDFMBLBV-STQMWFEESA-N 1 2 340.449 0.309 20 70 ECIDLO C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCS1(=O)=O ZINC000160769086 436880294 /nfs/dbraw/zinc/88/02/94/436880294.db2.gz PFIPZKIDFMBLBV-STQMWFEESA-N 1 2 340.449 0.309 20 70 ECIDLO COc1ccc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)nn1 ZINC000160979888 436880604 /nfs/dbraw/zinc/88/06/04/436880604.db2.gz MFEXGSKARFCTJI-UHFFFAOYSA-N 1 2 344.419 0.794 20 70 ECIDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000161394921 436890757 /nfs/dbraw/zinc/89/07/57/436890757.db2.gz JHYQPIWMKMTAJE-YPMHNXCESA-N 1 2 330.392 0.437 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)no2)c1 ZINC000160549774 545850105 /nfs/dbraw/zinc/85/01/05/545850105.db2.gz DWAUMUQMGCKDOT-WFASDCNBSA-N 1 2 333.392 0.677 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)no2)c1 ZINC000160549774 545850109 /nfs/dbraw/zinc/85/01/09/545850109.db2.gz DWAUMUQMGCKDOT-WFASDCNBSA-N 1 2 333.392 0.677 20 70 ECIDLO CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cnn(C)c1 ZINC000161095893 296715441 /nfs/dbraw/zinc/71/54/41/296715441.db2.gz LSLWLUAEJVNBPZ-UHFFFAOYSA-N 1 2 337.468 0.469 20 70 ECIDLO COCC(=O)N(C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000159755906 225272178 /nfs/dbraw/zinc/27/21/78/225272178.db2.gz SOEXWTUHLQMSEW-UHFFFAOYSA-N 1 2 348.447 0.477 20 70 ECIDLO Cn1c2nnc(C[N@H+](C)CC(C)(CO)CO)n2c2ccccc2c1=O ZINC000159559716 530030317 /nfs/dbraw/zinc/03/03/17/530030317.db2.gz KJKOVOXJLJQXBL-UHFFFAOYSA-N 1 2 345.403 0.004 20 70 ECIDLO Cn1c2nnc(C[N@@H+](C)CC(C)(CO)CO)n2c2ccccc2c1=O ZINC000159559716 530030318 /nfs/dbraw/zinc/03/03/18/530030318.db2.gz KJKOVOXJLJQXBL-UHFFFAOYSA-N 1 2 345.403 0.004 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000159683549 436861704 /nfs/dbraw/zinc/86/17/04/436861704.db2.gz ASODRHDDTCQZKT-JKSUJKDBSA-N 1 2 346.431 0.336 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000159683549 436861706 /nfs/dbraw/zinc/86/17/06/436861706.db2.gz ASODRHDDTCQZKT-JKSUJKDBSA-N 1 2 346.431 0.336 20 70 ECIDLO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000159893158 436866266 /nfs/dbraw/zinc/86/62/66/436866266.db2.gz BRHGCKBXCXBQCJ-QWHCGFSZSA-N 1 2 336.440 0.695 20 70 ECIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cnn(-c2ccc(F)cc2)n1 ZINC000160363366 436871811 /nfs/dbraw/zinc/87/18/11/436871811.db2.gz REIYBPSLYYVKND-OAHLLOKOSA-N 1 2 345.378 0.999 20 70 ECIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cnn(-c2ccc(F)cc2)n1 ZINC000160363366 436871813 /nfs/dbraw/zinc/87/18/13/436871813.db2.gz REIYBPSLYYVKND-OAHLLOKOSA-N 1 2 345.378 0.999 20 70 ECIDLO Cc1nc(CN2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)n[nH]1 ZINC000160707443 436877483 /nfs/dbraw/zinc/87/74/83/436877483.db2.gz BTAZJRLBWRKCOB-CYBMUJFWSA-N 1 2 338.481 0.195 20 70 ECIDLO Cc1nc(CN2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)n[nH]1 ZINC000160707443 436877487 /nfs/dbraw/zinc/87/74/87/436877487.db2.gz BTAZJRLBWRKCOB-CYBMUJFWSA-N 1 2 338.481 0.195 20 70 ECIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000160987906 436881227 /nfs/dbraw/zinc/88/12/27/436881227.db2.gz BAGYFMJBRFDXLH-DOMZBBRYSA-N 1 2 328.372 0.943 20 70 ECIDLO CCOC(=O)N1CCN(C(=O)C[N@H+](CC)Cc2cnn(C)c2)CC1 ZINC000161076577 436882609 /nfs/dbraw/zinc/88/26/09/436882609.db2.gz WPSFBBRPOAIUJS-UHFFFAOYSA-N 1 2 337.424 0.543 20 70 ECIDLO CCOC(=O)N1CCN(C(=O)C[N@@H+](CC)Cc2cnn(C)c2)CC1 ZINC000161076577 436882617 /nfs/dbraw/zinc/88/26/17/436882617.db2.gz WPSFBBRPOAIUJS-UHFFFAOYSA-N 1 2 337.424 0.543 20 70 ECIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000160987794 296714794 /nfs/dbraw/zinc/71/47/94/296714794.db2.gz BAGYFMJBRFDXLH-WFASDCNBSA-N 1 2 328.372 0.943 20 70 ECIDLO Cc1cccc([C@@H](CNC(=O)C2(NC(N)=O)CC2)[NH+]2CCOCC2)c1 ZINC000160360890 225395506 /nfs/dbraw/zinc/39/55/06/225395506.db2.gz HSJXHHHRSONQLJ-OAHLLOKOSA-N 1 2 346.431 0.685 20 70 ECIDLO CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000159655174 436860348 /nfs/dbraw/zinc/86/03/48/436860348.db2.gz MPQICSQNTNELED-IHRRRGAJSA-N 1 2 332.466 0.115 20 70 ECIDLO CCN(C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000159655174 436860352 /nfs/dbraw/zinc/86/03/52/436860352.db2.gz MPQICSQNTNELED-IHRRRGAJSA-N 1 2 332.466 0.115 20 70 ECIDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000161071294 436882676 /nfs/dbraw/zinc/88/26/76/436882676.db2.gz GJDDUFWRGODTQE-PCKAHOCUSA-N 1 2 338.496 0.776 20 70 ECIDLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161303121 436887971 /nfs/dbraw/zinc/88/79/71/436887971.db2.gz ZWWDFJYBHRRNNA-GFCCVEGCSA-N 1 2 346.474 0.992 20 70 ECIDLO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161303121 436887972 /nfs/dbraw/zinc/88/79/72/436887972.db2.gz ZWWDFJYBHRRNNA-GFCCVEGCSA-N 1 2 346.474 0.992 20 70 ECIDLO CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160137063 526597850 /nfs/dbraw/zinc/59/78/50/526597850.db2.gz YGDQUZNDDPAVDC-LBPRGKRZSA-N 1 2 325.434 0.990 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)no2)c1 ZINC000160550185 545850553 /nfs/dbraw/zinc/85/05/53/545850553.db2.gz DWAUMUQMGCKDOT-IUODEOHRSA-N 1 2 333.392 0.677 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)no2)c1 ZINC000160550185 545850559 /nfs/dbraw/zinc/85/05/59/545850559.db2.gz DWAUMUQMGCKDOT-IUODEOHRSA-N 1 2 333.392 0.677 20 70 ECIDLO CC(C)N1C[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000217289141 241243512 /nfs/dbraw/zinc/24/35/12/241243512.db2.gz NINUZATYEIYBKH-AWEZNQCLSA-N 1 2 331.420 0.923 20 70 ECIDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)C[NH+]1CCOCC1 ZINC000160378140 225399595 /nfs/dbraw/zinc/39/95/95/225399595.db2.gz GEAQXUVGBYHPRS-LLVKDONJSA-N 1 2 333.841 0.982 20 70 ECIDLO CC(C)COC(=O)N1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000159569280 436861683 /nfs/dbraw/zinc/86/16/83/436861683.db2.gz MNTAYZZVHSHTLI-UHFFFAOYSA-N 1 2 347.419 0.906 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000159689810 436862443 /nfs/dbraw/zinc/86/24/43/436862443.db2.gz XUIRDRNLEHPCCM-HOTGVXAUSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000159689810 436862450 /nfs/dbraw/zinc/86/24/50/436862450.db2.gz XUIRDRNLEHPCCM-HOTGVXAUSA-N 1 2 331.416 0.575 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@H](NC(N)=O)c3cccs3)C[C@@H]21 ZINC000159691876 436863782 /nfs/dbraw/zinc/86/37/82/436863782.db2.gz BYFUIUGZTJENKW-SDDRHHMPSA-N 1 2 338.433 0.389 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C[C@H](NC(N)=O)c3cccs3)C[C@@H]21 ZINC000159691876 436863787 /nfs/dbraw/zinc/86/37/87/436863787.db2.gz BYFUIUGZTJENKW-SDDRHHMPSA-N 1 2 338.433 0.389 20 70 ECIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159789997 436864389 /nfs/dbraw/zinc/86/43/89/436864389.db2.gz NULVHBUBTTYRAX-HNNXBMFYSA-N 1 2 328.372 0.736 20 70 ECIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159789997 436864391 /nfs/dbraw/zinc/86/43/91/436864391.db2.gz NULVHBUBTTYRAX-HNNXBMFYSA-N 1 2 328.372 0.736 20 70 ECIDLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)C[NH+]1CCOCC1 ZINC000160383796 436870290 /nfs/dbraw/zinc/87/02/90/436870290.db2.gz YHOQNYWSACRCNN-CYBMUJFWSA-N 1 2 340.445 0.868 20 70 ECIDLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)NCCc1ccccc1 ZINC000160989655 436881512 /nfs/dbraw/zinc/88/15/12/436881512.db2.gz QNNQXNVSTMQQBP-HNNXBMFYSA-N 1 2 326.400 0.921 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1CC ZINC000160354063 529696608 /nfs/dbraw/zinc/69/66/08/529696608.db2.gz ZMQNRGSHFSKWSU-CABCVRRESA-N 1 2 349.435 0.119 20 70 ECIDLO CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1CC ZINC000160354063 529696610 /nfs/dbraw/zinc/69/66/10/529696610.db2.gz ZMQNRGSHFSKWSU-CABCVRRESA-N 1 2 349.435 0.119 20 70 ECIDLO C[C@@H](NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)C(=O)N(C)C ZINC000161345865 296715751 /nfs/dbraw/zinc/71/57/51/296715751.db2.gz BODDIEXECYFHLF-SKDRFNHKSA-N 1 2 339.358 0.215 20 70 ECIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000160326672 436870392 /nfs/dbraw/zinc/87/03/92/436870392.db2.gz CCHSBWQPYHGDAN-CYBMUJFWSA-N 1 2 334.411 0.690 20 70 ECIDLO COC[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000160700143 436877200 /nfs/dbraw/zinc/87/72/00/436877200.db2.gz FSGUJOFVHHCIKU-OAHLLOKOSA-N 1 2 337.424 0.762 20 70 ECIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCCOc1ccccc1 ZINC000161195709 436886276 /nfs/dbraw/zinc/88/62/76/436886276.db2.gz VIIASRQYASRYTM-UHFFFAOYSA-N 1 2 337.401 0.530 20 70 ECIDLO CCc1cc(=O)[nH]c(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000160621334 545849463 /nfs/dbraw/zinc/84/94/63/545849463.db2.gz JOXNHFVMLKLHLJ-GFCCVEGCSA-N 1 2 333.436 0.529 20 70 ECIDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161226979 296715392 /nfs/dbraw/zinc/71/53/92/296715392.db2.gz MMNPGZOFWGQJDN-KCJUWKMLSA-N 1 2 337.342 0.998 20 70 ECIDLO C[C@H](CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000159664536 436860051 /nfs/dbraw/zinc/86/00/51/436860051.db2.gz RBAHXOCXWKDQEW-VNQPRFMTSA-N 1 2 331.416 0.736 20 70 ECIDLO C[C@H](CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000159664536 436860057 /nfs/dbraw/zinc/86/00/57/436860057.db2.gz RBAHXOCXWKDQEW-VNQPRFMTSA-N 1 2 331.416 0.736 20 70 ECIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@@H]21 ZINC000159708692 436863368 /nfs/dbraw/zinc/86/33/68/436863368.db2.gz VFXUFABZZZVUCV-KBPBESRZSA-N 1 2 339.342 0.236 20 70 ECIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@@H]21 ZINC000159708692 436863372 /nfs/dbraw/zinc/86/33/72/436863372.db2.gz VFXUFABZZZVUCV-KBPBESRZSA-N 1 2 339.342 0.236 20 70 ECIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000161195985 436885332 /nfs/dbraw/zinc/88/53/32/436885332.db2.gz LKKPNECPVXAAGD-OAHLLOKOSA-N 1 2 325.453 0.958 20 70 ECIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000161195985 436885338 /nfs/dbraw/zinc/88/53/38/436885338.db2.gz LKKPNECPVXAAGD-OAHLLOKOSA-N 1 2 325.453 0.958 20 70 ECIDLO C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161181299 436886268 /nfs/dbraw/zinc/88/62/68/436886268.db2.gz IBGARUVESHOCQE-DOTOQJQBSA-N 1 2 332.448 0.883 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)no2)c1 ZINC000160550053 545849271 /nfs/dbraw/zinc/84/92/71/545849271.db2.gz DWAUMUQMGCKDOT-SWLSCSKDSA-N 1 2 333.392 0.677 20 70 ECIDLO Cc1cnn(Cc2cc(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)no2)c1 ZINC000160550053 545849277 /nfs/dbraw/zinc/84/92/77/545849277.db2.gz DWAUMUQMGCKDOT-SWLSCSKDSA-N 1 2 333.392 0.677 20 70 ECIDLO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cn1 ZINC000159931608 225305522 /nfs/dbraw/zinc/30/55/22/225305522.db2.gz CXXNBMZRVLACPK-HNNXBMFYSA-N 1 2 334.420 0.802 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[nH]n1 ZINC000159685919 436860700 /nfs/dbraw/zinc/86/07/00/436860700.db2.gz AOEBCIAECWBXQY-CABCVRRESA-N 1 2 344.419 0.582 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[nH]n1 ZINC000159685919 436860704 /nfs/dbraw/zinc/86/07/04/436860704.db2.gz AOEBCIAECWBXQY-CABCVRRESA-N 1 2 344.419 0.582 20 70 ECIDLO CC[N@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1cnn(C)c1 ZINC000161131558 436883554 /nfs/dbraw/zinc/88/35/54/436883554.db2.gz VGIXVPBUBVRRAV-QGZVFWFLSA-N 1 2 343.431 0.846 20 70 ECIDLO CC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1cnn(C)c1 ZINC000161131558 436883560 /nfs/dbraw/zinc/88/35/60/436883560.db2.gz VGIXVPBUBVRRAV-QGZVFWFLSA-N 1 2 343.431 0.846 20 70 ECIDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1CCNC(=O)C1 ZINC000159722142 545847514 /nfs/dbraw/zinc/84/75/14/545847514.db2.gz UEGBTRKFMACOEQ-CVEARBPZSA-N 1 2 331.416 0.702 20 70 ECIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1F ZINC000159463191 436858824 /nfs/dbraw/zinc/85/88/24/436858824.db2.gz XZYIIJGQWJKEOX-CYBMUJFWSA-N 1 2 339.411 0.915 20 70 ECIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1F ZINC000159463191 436858829 /nfs/dbraw/zinc/85/88/29/436858829.db2.gz XZYIIJGQWJKEOX-CYBMUJFWSA-N 1 2 339.411 0.915 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000159683832 436859707 /nfs/dbraw/zinc/85/97/07/436859707.db2.gz ASODRHDDTCQZKT-HOTGVXAUSA-N 1 2 346.431 0.336 20 70 ECIDLO Cc1ccc(CNC(=O)NCC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000159683832 436859714 /nfs/dbraw/zinc/85/97/14/436859714.db2.gz ASODRHDDTCQZKT-HOTGVXAUSA-N 1 2 346.431 0.336 20 70 ECIDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCNC(=O)C1 ZINC000159673830 436860115 /nfs/dbraw/zinc/86/01/15/436860115.db2.gz JLEHLDFABYGDCZ-HZPDHXFCSA-N 1 2 331.416 0.530 20 70 ECIDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCNC(=O)C1 ZINC000159673830 436860125 /nfs/dbraw/zinc/86/01/25/436860125.db2.gz JLEHLDFABYGDCZ-HZPDHXFCSA-N 1 2 331.416 0.530 20 70 ECIDLO O=C(NCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000160397344 436870764 /nfs/dbraw/zinc/87/07/64/436870764.db2.gz VLGXATFDHBINIA-LBPRGKRZSA-N 1 2 328.372 0.697 20 70 ECIDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160408496 436870910 /nfs/dbraw/zinc/87/09/10/436870910.db2.gz SERAXTHVNROVFI-UHFFFAOYSA-N 1 2 339.403 0.660 20 70 ECIDLO NC(=O)c1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000160569123 436875322 /nfs/dbraw/zinc/87/53/22/436875322.db2.gz MKIQYZJLWLTTDT-UHFFFAOYSA-N 1 2 343.387 0.801 20 70 ECIDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3nncn3C)CC2)C1 ZINC000160721920 436877315 /nfs/dbraw/zinc/87/73/15/436877315.db2.gz NPRAKTQYHORADZ-GJZGRUSLSA-N 1 2 334.468 0.437 20 70 ECIDLO Cn1cnc(-c2ccc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000160879249 436879986 /nfs/dbraw/zinc/87/99/86/436879986.db2.gz SZEYFPJSKFEHRE-CQSZACIVSA-N 1 2 330.392 0.934 20 70 ECIDLO Cn1cnc(-c2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000160879249 436879990 /nfs/dbraw/zinc/87/99/90/436879990.db2.gz SZEYFPJSKFEHRE-CQSZACIVSA-N 1 2 330.392 0.934 20 70 ECIDLO CC(C)(C)NC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161168541 526318242 /nfs/dbraw/zinc/31/82/42/526318242.db2.gz BBGRRXBSYSTSFA-UHFFFAOYSA-N 1 2 333.436 0.824 20 70 ECIDLO C[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)CC(C)(CO)CO ZINC000159522135 545847139 /nfs/dbraw/zinc/84/71/39/545847139.db2.gz ZQFTWDKDCDADFG-UHFFFAOYSA-N 1 2 337.445 0.896 20 70 ECIDLO C[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)CC(C)(CO)CO ZINC000159522135 545847143 /nfs/dbraw/zinc/84/71/43/545847143.db2.gz ZQFTWDKDCDADFG-UHFFFAOYSA-N 1 2 337.445 0.896 20 70 ECIDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccccc1 ZINC000217485069 545921007 /nfs/dbraw/zinc/92/10/07/545921007.db2.gz MPBWOUJIORCGKZ-ZDUSSCGKSA-N 1 2 330.344 0.040 20 70 ECIDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccccc1 ZINC000217485069 545921009 /nfs/dbraw/zinc/92/10/09/545921009.db2.gz MPBWOUJIORCGKZ-ZDUSSCGKSA-N 1 2 330.344 0.040 20 70 ECIDLO CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000160506495 296713504 /nfs/dbraw/zinc/71/35/04/296713504.db2.gz AOOSCBPAQAHJGN-MNOVXSKESA-N 1 2 338.408 0.709 20 70 ECIDLO Cn1nnnc1SCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161295604 296715266 /nfs/dbraw/zinc/71/52/66/296715266.db2.gz CLWVAWCDLTXUBQ-LLVKDONJSA-N 1 2 333.421 0.482 20 70 ECIDLO CC(C)CC[C@H]1CCC(=O)N(C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000160114612 436869347 /nfs/dbraw/zinc/86/93/47/436869347.db2.gz MFPBJLFHSOACHT-LSDHHAIUSA-N 1 2 326.437 0.881 20 70 ECIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000160559590 436874923 /nfs/dbraw/zinc/87/49/23/436874923.db2.gz UQRLXDWCOBYZEN-UHFFFAOYSA-N 1 2 343.387 0.756 20 70 ECIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000160595945 436875402 /nfs/dbraw/zinc/87/54/02/436875402.db2.gz ORYHZGOBIUOJHV-CHWSQXEVSA-N 1 2 336.440 0.695 20 70 ECIDLO CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161072302 436883861 /nfs/dbraw/zinc/88/38/61/436883861.db2.gz KFXRDBAIILBVPK-ZDUSSCGKSA-N 1 2 340.449 0.784 20 70 ECIDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161226848 296715458 /nfs/dbraw/zinc/71/54/58/296715458.db2.gz MMNPGZOFWGQJDN-KWQFWETISA-N 1 2 337.342 0.998 20 70 ECIDLO CCc1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)[nH]c(C)c1C(N)=O ZINC000159490197 436857967 /nfs/dbraw/zinc/85/79/67/436857967.db2.gz KSVGHXMKUFVDMR-UHFFFAOYSA-N 1 2 336.436 0.825 20 70 ECIDLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159682014 436861492 /nfs/dbraw/zinc/86/14/92/436861492.db2.gz TXNVRUSRIGIZRI-CQSZACIVSA-N 1 2 337.424 0.000 20 70 ECIDLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159682014 436861495 /nfs/dbraw/zinc/86/14/95/436861495.db2.gz TXNVRUSRIGIZRI-CQSZACIVSA-N 1 2 337.424 0.000 20 70 ECIDLO Cc1cnn(-c2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2F)c1 ZINC000159779299 436862987 /nfs/dbraw/zinc/86/29/87/436862987.db2.gz ILUWLFGEPXTXAW-UHFFFAOYSA-N 1 2 331.351 0.690 20 70 ECIDLO O=C(NCC[NH+]1CCOCC1)NCc1cccnc1OCC(F)F ZINC000160688592 436878387 /nfs/dbraw/zinc/87/83/87/436878387.db2.gz ZLTIGHXYTRXYAE-UHFFFAOYSA-N 1 2 344.362 0.857 20 70 ECIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCc1ccc(F)cc1 ZINC000161181891 436886074 /nfs/dbraw/zinc/88/60/74/436886074.db2.gz FWYNVKRCCJHUDY-UHFFFAOYSA-N 1 2 325.365 0.790 20 70 ECIDLO CCCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160815312 545850200 /nfs/dbraw/zinc/85/02/00/545850200.db2.gz CVWHOGWJMHCITH-QEJZJMRPSA-N 1 2 346.493 0.503 20 70 ECIDLO CCCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160815312 545850205 /nfs/dbraw/zinc/85/02/05/545850205.db2.gz CVWHOGWJMHCITH-QEJZJMRPSA-N 1 2 346.493 0.503 20 70 ECIDLO COC[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000160699999 533068514 /nfs/dbraw/zinc/06/85/14/533068514.db2.gz FSGUJOFVHHCIKU-HNNXBMFYSA-N 1 2 337.424 0.762 20 70 ECIDLO COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000159387147 436857445 /nfs/dbraw/zinc/85/74/45/436857445.db2.gz GUIVQYGDQNNCKU-MRXNPFEDSA-N 1 2 343.387 0.304 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC000159721743 436864023 /nfs/dbraw/zinc/86/40/23/436864023.db2.gz VQSGDABNRJIIHP-UONOGXRCSA-N 1 2 337.807 0.611 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC000159721743 436864027 /nfs/dbraw/zinc/86/40/27/436864027.db2.gz VQSGDABNRJIIHP-UONOGXRCSA-N 1 2 337.807 0.611 20 70 ECIDLO Cc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000161106812 436884016 /nfs/dbraw/zinc/88/40/16/436884016.db2.gz LUOPVHVFQVJJPF-INIZCTEOSA-N 1 2 332.448 0.755 20 70 ECIDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159433976 528557883 /nfs/dbraw/zinc/55/78/83/528557883.db2.gz ZORFKAKSPQUHON-ZDUSSCGKSA-N 1 2 348.447 0.826 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000159657953 436860982 /nfs/dbraw/zinc/86/09/82/436860982.db2.gz OVVMTPACAQRTMB-HUUCEWRRSA-N 1 2 332.404 0.658 20 70 ECIDLO Cc1cccc(NC(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000159657953 436860987 /nfs/dbraw/zinc/86/09/87/436860987.db2.gz OVVMTPACAQRTMB-HUUCEWRRSA-N 1 2 332.404 0.658 20 70 ECIDLO C[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCCC2)[NH+]1CCOCC1 ZINC000159893274 436866475 /nfs/dbraw/zinc/86/64/75/436866475.db2.gz BRHGCKBXCXBQCJ-CHWSQXEVSA-N 1 2 336.440 0.695 20 70 ECIDLO CNS(=O)(=O)c1cc(C(=O)N(C)CCCn2cc[nH+]c2)co1 ZINC000160068697 530024638 /nfs/dbraw/zinc/02/46/38/530024638.db2.gz KDVXLTGGQYCTPE-UHFFFAOYSA-N 1 2 326.378 0.547 20 70 ECIDLO CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1CCCS1(=O)=O ZINC000160249407 296713313 /nfs/dbraw/zinc/71/33/13/296713313.db2.gz YAHOUDCHIXCITP-GFCCVEGCSA-N 1 2 326.422 0.524 20 70 ECIDLO CCc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)oc1CC ZINC000159904098 436866638 /nfs/dbraw/zinc/86/66/38/436866638.db2.gz ICIIEHMCBJXOTE-UHFFFAOYSA-N 1 2 337.420 0.583 20 70 ECIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000160326542 436870263 /nfs/dbraw/zinc/87/02/63/436870263.db2.gz CCHSBWQPYHGDAN-ZDUSSCGKSA-N 1 2 334.411 0.690 20 70 ECIDLO O=C(NCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000160397214 436870883 /nfs/dbraw/zinc/87/08/83/436870883.db2.gz VLGXATFDHBINIA-GFCCVEGCSA-N 1 2 328.372 0.697 20 70 ECIDLO O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1COCC[NH2+]1 ZINC000160930779 436880702 /nfs/dbraw/zinc/88/07/02/436880702.db2.gz XOHXOAYAXKFTCU-QWHCGFSZSA-N 1 2 337.807 0.940 20 70 ECIDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000161071416 436884402 /nfs/dbraw/zinc/88/44/02/436884402.db2.gz GJDDUFWRGODTQE-HWOWSKLDSA-N 1 2 338.496 0.776 20 70 ECIDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161227098 436884865 /nfs/dbraw/zinc/88/48/65/436884865.db2.gz MMNPGZOFWGQJDN-GZMMTYOYSA-N 1 2 337.342 0.998 20 70 ECIDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159433853 528554245 /nfs/dbraw/zinc/55/42/45/528554245.db2.gz ZORFKAKSPQUHON-CYBMUJFWSA-N 1 2 348.447 0.826 20 70 ECIDLO Cc1c(NC(=O)C(=O)N2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000160314467 225386838 /nfs/dbraw/zinc/38/68/38/225386838.db2.gz PJUUUTPZVVDQED-UHFFFAOYSA-N 1 2 327.388 0.893 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)[nH]n1 ZINC000159685640 436860240 /nfs/dbraw/zinc/86/02/40/436860240.db2.gz AOEBCIAECWBXQY-HUUCEWRRSA-N 1 2 344.419 0.582 20 70 ECIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)[nH]n1 ZINC000159685640 436860241 /nfs/dbraw/zinc/86/02/41/436860241.db2.gz AOEBCIAECWBXQY-HUUCEWRRSA-N 1 2 344.419 0.582 20 70 ECIDLO Cc1ccc(C(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C ZINC000159661550 436861462 /nfs/dbraw/zinc/86/14/62/436861462.db2.gz TUINYUZQMWOWDY-HZPDHXFCSA-N 1 2 331.416 0.575 20 70 ECIDLO Cc1ccc(C(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C ZINC000159661550 436861466 /nfs/dbraw/zinc/86/14/66/436861466.db2.gz TUINYUZQMWOWDY-HZPDHXFCSA-N 1 2 331.416 0.575 20 70 ECIDLO COCCCNC(=O)C[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159681892 436862046 /nfs/dbraw/zinc/86/20/46/436862046.db2.gz TXNVRUSRIGIZRI-AWEZNQCLSA-N 1 2 337.424 0.000 20 70 ECIDLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159681892 436862049 /nfs/dbraw/zinc/86/20/49/436862049.db2.gz TXNVRUSRIGIZRI-AWEZNQCLSA-N 1 2 337.424 0.000 20 70 ECIDLO Cc1conc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000160126853 436868617 /nfs/dbraw/zinc/86/86/17/436868617.db2.gz HISNDYWXDDLSQM-ZDUSSCGKSA-N 1 2 338.408 0.785 20 70 ECIDLO Cc1c(C(=O)N(C)CC[NH+]2CCOCC2)cnn1C1CCOCC1 ZINC000160514919 436873435 /nfs/dbraw/zinc/87/34/35/436873435.db2.gz KEOPECRNAPYXNA-UHFFFAOYSA-N 1 2 336.436 0.947 20 70 ECIDLO Cn1cnc(-c2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000160879378 436879271 /nfs/dbraw/zinc/87/92/71/436879271.db2.gz SZEYFPJSKFEHRE-AWEZNQCLSA-N 1 2 330.392 0.934 20 70 ECIDLO Cn1cnc(-c2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000160879378 436879276 /nfs/dbraw/zinc/87/92/76/436879276.db2.gz SZEYFPJSKFEHRE-AWEZNQCLSA-N 1 2 330.392 0.934 20 70 ECIDLO CCCCNC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161219084 436885369 /nfs/dbraw/zinc/88/53/69/436885369.db2.gz DUXHYPLIEFWTHD-UHFFFAOYSA-N 1 2 333.436 0.825 20 70 ECIDLO CCc1cnc(NC(=O)N(CCO)CC[NH+]2CCOCC2)s1 ZINC000161504084 545853730 /nfs/dbraw/zinc/85/37/30/545853730.db2.gz YYOKSJSXNFFKJA-UHFFFAOYSA-N 1 2 328.438 0.864 20 70 ECIDLO COC(=O)CCNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161259835 296715397 /nfs/dbraw/zinc/71/53/97/296715397.db2.gz RZKRMSQJYBFPAO-GFCCVEGCSA-N 1 2 326.315 0.301 20 70 ECIDLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C1CCOCC1 ZINC000161226325 296715227 /nfs/dbraw/zinc/71/52/27/296715227.db2.gz VLSPGTZINZUXNB-ZIAGYGMSSA-N 1 2 337.464 0.860 20 70 ECIDLO CCC[C@H](O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160414090 436871250 /nfs/dbraw/zinc/87/12/50/436871250.db2.gz OOUKFXIVJRMKIT-HNNXBMFYSA-N 1 2 348.447 0.788 20 70 ECIDLO O=C1CNC(=O)N1CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160614762 436875278 /nfs/dbraw/zinc/87/52/78/436875278.db2.gz DNJSYGUXMFQKPJ-LBPRGKRZSA-N 1 2 332.408 0.693 20 70 ECIDLO O=C1CNC(=O)N1CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160614762 436875283 /nfs/dbraw/zinc/87/52/83/436875283.db2.gz DNJSYGUXMFQKPJ-LBPRGKRZSA-N 1 2 332.408 0.693 20 70 ECIDLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161329289 436887687 /nfs/dbraw/zinc/88/76/87/436887687.db2.gz XPFPTUIYHNDVBB-MRXNPFEDSA-N 1 2 331.416 0.484 20 70 ECIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)C2Cc3ccccc3C2)CC1 ZINC000160818645 545850183 /nfs/dbraw/zinc/85/01/83/545850183.db2.gz QDAORWXPVVWYTB-UHFFFAOYSA-N 1 2 338.473 0.872 20 70 ECIDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccccc1 ZINC000217484990 545920584 /nfs/dbraw/zinc/92/05/84/545920584.db2.gz MPBWOUJIORCGKZ-CYBMUJFWSA-N 1 2 330.344 0.040 20 70 ECIDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccccc1 ZINC000217484990 545920589 /nfs/dbraw/zinc/92/05/89/545920589.db2.gz MPBWOUJIORCGKZ-CYBMUJFWSA-N 1 2 330.344 0.040 20 70 ECIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)n1 ZINC000160751853 263147567 /nfs/dbraw/zinc/14/75/67/263147567.db2.gz QLMPOZNYLMZBPO-ZDUSSCGKSA-N 1 2 335.452 0.777 20 70 ECIDLO CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000160506359 436873845 /nfs/dbraw/zinc/87/38/45/436873845.db2.gz AOOSCBPAQAHJGN-QWRGUYRKSA-N 1 2 338.408 0.709 20 70 ECIDLO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160603911 436875352 /nfs/dbraw/zinc/87/53/52/436875352.db2.gz WRMVOCJQLKECGX-OAHLLOKOSA-N 1 2 343.431 0.672 20 70 ECIDLO O=C(NCCNS(=O)(=O)c1cccs1)NCCn1cc[nH+]c1 ZINC000160890659 436881535 /nfs/dbraw/zinc/88/15/35/436881535.db2.gz FUSCJZQKCIABTG-UHFFFAOYSA-N 1 2 343.434 0.222 20 70 ECIDLO CC(C)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000160228542 529066090 /nfs/dbraw/zinc/06/60/90/529066090.db2.gz DUDXHFHXFUZIDJ-MRXNPFEDSA-N 1 2 345.447 0.918 20 70 ECIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000160987519 296715018 /nfs/dbraw/zinc/71/50/18/296715018.db2.gz BAGYFMJBRFDXLH-SWLSCSKDSA-N 1 2 328.372 0.943 20 70 ECIDLO CCCNC(=O)NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161491470 296715883 /nfs/dbraw/zinc/71/58/83/296715883.db2.gz LPJLCPNQJWSPTQ-LLVKDONJSA-N 1 2 325.331 0.857 20 70 ECIDLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286833 165086414 /nfs/dbraw/zinc/08/64/14/165086414.db2.gz XMMCSIWHCWQEIB-INIZCTEOSA-N 1 2 346.431 0.419 20 70 ECIDLO Cc1c(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)cnn1C ZINC000159549500 225238159 /nfs/dbraw/zinc/23/81/59/225238159.db2.gz PZAUVTDPJGMGJH-UHFFFAOYSA-N 1 2 344.419 0.960 20 70 ECIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000160595644 436874499 /nfs/dbraw/zinc/87/44/99/436874499.db2.gz ORYHZGOBIUOJHV-STQMWFEESA-N 1 2 336.440 0.695 20 70 ECIDLO CCNC(=O)NC1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000160392413 436870991 /nfs/dbraw/zinc/87/09/91/436870991.db2.gz XENOXMQTDNDVIO-CQSZACIVSA-N 1 2 338.452 0.598 20 70 ECIDLO CCNC(=O)NC1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000160392413 436870997 /nfs/dbraw/zinc/87/09/97/436870997.db2.gz XENOXMQTDNDVIO-CQSZACIVSA-N 1 2 338.452 0.598 20 70 ECIDLO C[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)C[NH+]1CCOCC1 ZINC000160389627 436871116 /nfs/dbraw/zinc/87/11/16/436871116.db2.gz DUUMFDZKGXASCM-JTQLQIEISA-N 1 2 336.845 0.320 20 70 ECIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000159654932 529898591 /nfs/dbraw/zinc/89/85/91/529898591.db2.gz YCGKXQZTGSBRMM-GFCCVEGCSA-N 1 2 330.454 0.696 20 70 ECIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1c[nH]cn1 ZINC000160351072 296713100 /nfs/dbraw/zinc/71/31/00/296713100.db2.gz BQECNRSDIFJKRV-UHFFFAOYSA-N 1 2 349.460 0.852 20 70 ECIDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1CCOCC1 ZINC000161226076 296715526 /nfs/dbraw/zinc/71/55/26/296715526.db2.gz VLSPGTZINZUXNB-KGLIPLIRSA-N 1 2 337.464 0.860 20 70 ECIDLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159406315 436857492 /nfs/dbraw/zinc/85/74/92/436857492.db2.gz LSKOPDBOCCXJJV-FZKQIMNGSA-N 1 2 332.400 0.838 20 70 ECIDLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159406315 436857494 /nfs/dbraw/zinc/85/74/94/436857494.db2.gz LSKOPDBOCCXJJV-FZKQIMNGSA-N 1 2 332.400 0.838 20 70 ECIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000159832740 436864103 /nfs/dbraw/zinc/86/41/03/436864103.db2.gz ROIKPDHOWFNCGI-AWEZNQCLSA-N 1 2 329.360 0.131 20 70 ECIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000159832740 436864107 /nfs/dbraw/zinc/86/41/07/436864107.db2.gz ROIKPDHOWFNCGI-AWEZNQCLSA-N 1 2 329.360 0.131 20 70 ECIDLO CC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1cnn(C)c1 ZINC000161131435 436883756 /nfs/dbraw/zinc/88/37/56/436883756.db2.gz VGIXVPBUBVRRAV-KRWDZBQOSA-N 1 2 343.431 0.846 20 70 ECIDLO CC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1cnn(C)c1 ZINC000161131435 436883761 /nfs/dbraw/zinc/88/37/61/436883761.db2.gz VGIXVPBUBVRRAV-KRWDZBQOSA-N 1 2 343.431 0.846 20 70 ECIDLO C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)Oc1cccc(Cl)c1 ZINC000161403281 436890638 /nfs/dbraw/zinc/89/06/38/436890638.db2.gz FCTQJAMFTYYDHE-LLVKDONJSA-N 1 2 325.796 0.655 20 70 ECIDLO C[C@H](NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)C(=O)N(C)C ZINC000161345727 436890617 /nfs/dbraw/zinc/89/06/17/436890617.db2.gz BODDIEXECYFHLF-CABZTGNLSA-N 1 2 339.358 0.215 20 70 ECIDLO CCN(CC)S(=O)(=O)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161470015 436892617 /nfs/dbraw/zinc/89/26/17/436892617.db2.gz OKUARZHYOGSISJ-LBPRGKRZSA-N 1 2 328.438 0.233 20 70 ECIDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccc3nc[nH]c32)CC1 ZINC000159482178 225227015 /nfs/dbraw/zinc/22/70/15/225227015.db2.gz BKAXFXUELZSBMU-UHFFFAOYSA-N 1 2 329.404 0.845 20 70 ECIDLO CCC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160752326 263147563 /nfs/dbraw/zinc/14/75/63/263147563.db2.gz OVQKRQFWEDYWGX-MRXNPFEDSA-N 1 2 345.447 0.920 20 70 ECIDLO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159976408 436866986 /nfs/dbraw/zinc/86/69/86/436866986.db2.gz SFNWKZXHWFKTKC-UHFFFAOYSA-N 1 2 338.408 0.711 20 70 ECIDLO CCCN(CC1CC1)S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160389319 436870431 /nfs/dbraw/zinc/87/04/31/436870431.db2.gz KJUWUEHMEWSIAG-CQSZACIVSA-N 1 2 333.498 0.911 20 70 ECIDLO CN(C)C(=O)C1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCCC1 ZINC000160505359 436872641 /nfs/dbraw/zinc/87/26/41/436872641.db2.gz PHMFWEPXNQNHFI-KBPBESRZSA-N 1 2 338.452 0.359 20 70 ECIDLO CN(C)C(=O)C1(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCCC1 ZINC000160505359 436872647 /nfs/dbraw/zinc/87/26/47/436872647.db2.gz PHMFWEPXNQNHFI-KBPBESRZSA-N 1 2 338.452 0.359 20 70 ECIDLO COC(C[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1)OC ZINC000160558473 436875870 /nfs/dbraw/zinc/87/58/70/436875870.db2.gz YMYIZOLVCYSPQO-UHFFFAOYSA-N 1 2 326.368 0.968 20 70 ECIDLO CC(C)(CNC(=O)CCCNC(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000159903545 527105199 /nfs/dbraw/zinc/10/51/99/527105199.db2.gz JZYOHHFFOGKXPS-UHFFFAOYSA-N 1 2 348.447 0.819 20 70 ECIDLO CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160728320 545849444 /nfs/dbraw/zinc/84/94/44/545849444.db2.gz OMLOSQANWBSBRC-UBHSHLNASA-N 1 2 332.466 0.113 20 70 ECIDLO CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160728320 545849448 /nfs/dbraw/zinc/84/94/48/545849448.db2.gz OMLOSQANWBSBRC-UBHSHLNASA-N 1 2 332.466 0.113 20 70 ECIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000159790587 533615676 /nfs/dbraw/zinc/61/56/76/533615676.db2.gz RNYFHZIXJLVBRP-OAHLLOKOSA-N 1 2 343.387 0.439 20 70 ECIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000159790587 533615686 /nfs/dbraw/zinc/61/56/86/533615686.db2.gz RNYFHZIXJLVBRP-OAHLLOKOSA-N 1 2 343.387 0.439 20 70 ECIDLO O=S(=O)(Cc1ccon1)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000159853876 225289953 /nfs/dbraw/zinc/28/99/53/225289953.db2.gz TWLNHNQJRZWKSB-UHFFFAOYSA-N 1 2 325.394 0.019 20 70 ECIDLO Cn1cc(N2CCC[C@H]([NH+]3CCN(c4cccnn4)CC3)C2=O)cn1 ZINC000160171843 225352842 /nfs/dbraw/zinc/35/28/42/225352842.db2.gz ZDAMRSXYWGOIMZ-HNNXBMFYSA-N 1 2 341.419 0.528 20 70 ECIDLO O=C([C@@H]1CCNC(=O)C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160169007 436868654 /nfs/dbraw/zinc/86/86/54/436868654.db2.gz LAKXQRAGYWLMKQ-CQSZACIVSA-N 1 2 341.415 0.505 20 70 ECIDLO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCn1cc[nH+]c1 ZINC000160587294 296714172 /nfs/dbraw/zinc/71/41/72/296714172.db2.gz SRNWLSOGGAHVAX-CYBMUJFWSA-N 1 2 340.387 0.981 20 70 ECIDLO CN(C)C(=O)C1(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCCC1 ZINC000160505508 164804384 /nfs/dbraw/zinc/80/43/84/164804384.db2.gz PHMFWEPXNQNHFI-UONOGXRCSA-N 1 2 338.452 0.359 20 70 ECIDLO CN(C)C(=O)C1(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCCC1 ZINC000160505508 164804386 /nfs/dbraw/zinc/80/43/86/164804386.db2.gz PHMFWEPXNQNHFI-UONOGXRCSA-N 1 2 338.452 0.359 20 70 ECIDLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159406172 436857603 /nfs/dbraw/zinc/85/76/03/436857603.db2.gz LSKOPDBOCCXJJV-SCLBCKFNSA-N 1 2 332.400 0.838 20 70 ECIDLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159406172 436857605 /nfs/dbraw/zinc/85/76/05/436857605.db2.gz LSKOPDBOCCXJJV-SCLBCKFNSA-N 1 2 332.400 0.838 20 70 ECIDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000159475120 436858713 /nfs/dbraw/zinc/85/87/13/436858713.db2.gz KMBANOHWCIQIMW-CQSZACIVSA-N 1 2 348.422 0.463 20 70 ECIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)C[C@@H]21 ZINC000159728865 436862584 /nfs/dbraw/zinc/86/25/84/436862584.db2.gz OAMQTULWHDJQLC-JKSUJKDBSA-N 1 2 342.399 0.439 20 70 ECIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)C[C@@H]21 ZINC000159728865 436862589 /nfs/dbraw/zinc/86/25/89/436862589.db2.gz OAMQTULWHDJQLC-JKSUJKDBSA-N 1 2 342.399 0.439 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000159715656 436863845 /nfs/dbraw/zinc/86/38/45/436863845.db2.gz KQQNNISXIAIRLQ-IAGOWNOFSA-N 1 2 345.443 0.585 20 70 ECIDLO Cc1ccc(CCC(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000159715656 436863848 /nfs/dbraw/zinc/86/38/48/436863848.db2.gz KQQNNISXIAIRLQ-IAGOWNOFSA-N 1 2 345.443 0.585 20 70 ECIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159789859 436864084 /nfs/dbraw/zinc/86/40/84/436864084.db2.gz NULVHBUBTTYRAX-OAHLLOKOSA-N 1 2 328.372 0.736 20 70 ECIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159789859 436864088 /nfs/dbraw/zinc/86/40/88/436864088.db2.gz NULVHBUBTTYRAX-OAHLLOKOSA-N 1 2 328.372 0.736 20 70 ECIDLO C[C@@]1(O)CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000160651210 436875168 /nfs/dbraw/zinc/87/51/68/436875168.db2.gz FULODAMIHPGBPE-QGZVFWFLSA-N 1 2 348.451 0.155 20 70 ECIDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160971148 436881394 /nfs/dbraw/zinc/88/13/94/436881394.db2.gz QHPUZHNTWOOFGE-IXYNUQLISA-N 1 2 344.477 0.305 20 70 ECIDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160971148 436881398 /nfs/dbraw/zinc/88/13/98/436881398.db2.gz QHPUZHNTWOOFGE-IXYNUQLISA-N 1 2 344.477 0.305 20 70 ECIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCc1ccccc1F ZINC000161198610 436885831 /nfs/dbraw/zinc/88/58/31/436885831.db2.gz DTIQGYGVNWYPLV-UHFFFAOYSA-N 1 2 325.365 0.790 20 70 ECIDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1CCNC(=O)C1 ZINC000159722027 545848034 /nfs/dbraw/zinc/84/80/34/545848034.db2.gz UEGBTRKFMACOEQ-HZPDHXFCSA-N 1 2 331.416 0.702 20 70 ECIDLO