smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+](C)[C@@H](C)c2ccon2)cc1C[NH+]1CCCC1 ZINC000215159901 241108945 /nfs/dbraw/zinc/10/89/45/241108945.db2.gz NBTNQNGTIDJYCZ-HNNXBMFYSA-N 2 2 329.444 3.472 50 0 EGAALP COc1ccc(C[N@@H+](C)[C@@H](C)c2ccon2)cc1C[NH+]1CCCC1 ZINC000215159901 241108954 /nfs/dbraw/zinc/10/89/54/241108954.db2.gz NBTNQNGTIDJYCZ-HNNXBMFYSA-N 2 2 329.444 3.472 50 0 EGAALP Cc1c[nH+]ccc1NCCn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000072168587 203180779 /nfs/dbraw/zinc/18/07/79/203180779.db2.gz XWNLELYPTKQKTD-UHFFFAOYSA-N 2 2 336.395 3.137 50 0 EGAALP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000072408472 203216501 /nfs/dbraw/zinc/21/65/01/203216501.db2.gz CHLKWQWGUQDICT-IBGZPJMESA-N 2 2 348.874 3.489 50 0 EGAALP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000072408472 203216503 /nfs/dbraw/zinc/21/65/03/203216503.db2.gz CHLKWQWGUQDICT-IBGZPJMESA-N 2 2 348.874 3.489 50 0 EGAALP O=C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000299760335 258077040 /nfs/dbraw/zinc/07/70/40/258077040.db2.gz QHFVEFRMDQOGSO-QGZVFWFLSA-N 2 2 338.455 3.214 50 0 EGAALP O=C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000299760335 258077041 /nfs/dbraw/zinc/07/70/41/258077041.db2.gz QHFVEFRMDQOGSO-QGZVFWFLSA-N 2 2 338.455 3.214 50 0 EGAALP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067789312 453965912 /nfs/dbraw/zinc/96/59/12/453965912.db2.gz UKFJCXAIEDHKOX-HNNXBMFYSA-N 2 2 329.444 3.056 50 0 EGAALP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067789312 453965914 /nfs/dbraw/zinc/96/59/14/453965914.db2.gz UKFJCXAIEDHKOX-HNNXBMFYSA-N 2 2 329.444 3.056 50 0 EGAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067909549 453979468 /nfs/dbraw/zinc/97/94/68/453979468.db2.gz CCRXXYYTQMZQFQ-QGZVFWFLSA-N 2 2 338.455 3.213 50 0 EGAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067909549 453979469 /nfs/dbraw/zinc/97/94/69/453979469.db2.gz CCRXXYYTQMZQFQ-QGZVFWFLSA-N 2 2 338.455 3.213 50 0 EGAALP c1cn(Cc2cscn2)c([C@@H]2CCCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000095382803 454200102 /nfs/dbraw/zinc/20/01/02/454200102.db2.gz UZJAZDDGVVVNEH-CQSZACIVSA-N 2 2 325.441 3.167 50 0 EGAALP Fc1c[nH+]ccc1N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091603366 454448744 /nfs/dbraw/zinc/44/87/44/454448744.db2.gz UQDAMOZMZIQURK-UHFFFAOYSA-N 2 2 337.402 3.245 50 0 EGAALP CC(C)[C@@H](NC(=O)c1ccc(-c2c[nH+]ccc2N)cc1)c1[nH+]ccn1C ZINC000426470813 457836960 /nfs/dbraw/zinc/83/69/60/457836960.db2.gz QTZGXGFNNXWNRH-GOSISDBHSA-N 2 2 349.438 3.022 50 0 EGAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001704316637 1416440528 /nfs/dbraw/zinc/44/05/28/1416440528.db2.gz YABOVOLDLBYURD-ZDUSSCGKSA-N 2 2 348.878 3.065 50 0 EGAALP C[C@@H](C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1)n1cc[nH+]c1 ZINC000072462938 203227886 /nfs/dbraw/zinc/22/78/86/203227886.db2.gz URSDDPQLTPNXLF-KRWDZBQOSA-N 2 2 332.492 3.091 50 0 EGAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000097528892 219033465 /nfs/dbraw/zinc/03/34/65/219033465.db2.gz WZMMAGHLXQOHFN-UHFFFAOYSA-N 2 2 327.453 3.125 50 0 EGAALP CCc1nc(C)sc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000067642628 262532475 /nfs/dbraw/zinc/53/24/75/262532475.db2.gz JMKFASOFKZFXGB-UHFFFAOYSA-N 2 2 330.501 3.163 50 0 EGAALP CN(C)c1cc(NC(=O)C[NH+]2CCCCCC2)c2ccccc2[nH+]1 ZINC000000333835 452566823 /nfs/dbraw/zinc/56/68/23/452566823.db2.gz PUMHYIWZUOTPRW-UHFFFAOYSA-N 2 2 326.444 3.115 50 0 EGAALP c1cn(CCn2cc[nH+]c2-c2ccc(Oc3ncccn3)cc2)c[nH+]1 ZINC000067447013 453932195 /nfs/dbraw/zinc/93/21/95/453932195.db2.gz ZKABSXCZJSXKIS-UHFFFAOYSA-N 2 2 332.367 3.029 50 0 EGAALP CCCn1cc[nH+]c1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095383816 454200402 /nfs/dbraw/zinc/20/04/02/454200402.db2.gz MLIHYFVZRGOXCF-UHFFFAOYSA-N 2 2 340.471 3.209 50 0 EGAALP OC[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091475232 454438856 /nfs/dbraw/zinc/43/88/56/454438856.db2.gz MMJXKMYUEBZGMD-HZPDHXFCSA-N 2 2 340.870 3.005 50 0 EGAALP OC[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091475232 454438858 /nfs/dbraw/zinc/43/88/58/454438858.db2.gz MMJXKMYUEBZGMD-HZPDHXFCSA-N 2 2 340.870 3.005 50 0 EGAALP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc2cc(Br)ccc2[nH]1 ZINC000585135062 459827898 /nfs/dbraw/zinc/82/78/98/459827898.db2.gz VWFKBSLNEOSFDT-NSHDSACASA-N 2 2 333.233 3.478 50 0 EGAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001704316636 1416440487 /nfs/dbraw/zinc/44/04/87/1416440487.db2.gz YABOVOLDLBYURD-CYBMUJFWSA-N 2 2 348.878 3.065 50 0 EGAALP c1cn(-c2ccc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000022780745 212322838 /nfs/dbraw/zinc/32/28/38/212322838.db2.gz IJKLJGKTNBYXSW-HXUWFJFHSA-N 2 2 332.451 3.236 50 0 EGAALP CCn1ncnc1C[N@@H+]1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215079269 241106018 /nfs/dbraw/zinc/10/60/18/241106018.db2.gz ACIVQVLXTCMBNO-GOSISDBHSA-N 2 2 327.476 3.087 50 0 EGAALP CCn1ncnc1C[N@H+]1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215079269 241106023 /nfs/dbraw/zinc/10/60/23/241106023.db2.gz ACIVQVLXTCMBNO-GOSISDBHSA-N 2 2 327.476 3.087 50 0 EGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000095372683 454198503 /nfs/dbraw/zinc/19/85/03/454198503.db2.gz OIAHYJVUGNDPIE-GOSISDBHSA-N 2 2 340.471 3.162 50 0 EGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000095372683 454198506 /nfs/dbraw/zinc/19/85/06/454198506.db2.gz OIAHYJVUGNDPIE-GOSISDBHSA-N 2 2 340.471 3.162 50 0 EGAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC000091321799 454427135 /nfs/dbraw/zinc/42/71/35/454427135.db2.gz YECXIKHSCHVPPU-SFHVURJKSA-N 2 2 346.519 3.297 50 0 EGAALP Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000097679952 454443059 /nfs/dbraw/zinc/44/30/59/454443059.db2.gz QUKUHXRJVCKBIO-FQEVSTJZSA-N 2 2 342.462 3.204 50 0 EGAALP Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000097679952 454443062 /nfs/dbraw/zinc/44/30/62/454443062.db2.gz QUKUHXRJVCKBIO-FQEVSTJZSA-N 2 2 342.462 3.204 50 0 EGAALP C[C@@H](c1cccc(-c2cc(N3CCCC3)nc(N)[nH+]2)c1)[NH+]1CCCC1 ZINC000097823355 454445890 /nfs/dbraw/zinc/44/58/90/454445890.db2.gz PJQISVCHUSLDRT-HNNXBMFYSA-N 2 2 337.471 3.483 50 0 EGAALP Cc1nc(N[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc(C(C)C)[nH+]1 ZINC000065393531 454559285 /nfs/dbraw/zinc/55/92/85/454559285.db2.gz JASJBBNJHXACNS-KRWDZBQOSA-N 2 2 325.460 3.380 50 0 EGAALP Cc1nc(N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc(C(C)C)[nH+]1 ZINC000065393531 454559290 /nfs/dbraw/zinc/55/92/90/454559290.db2.gz JASJBBNJHXACNS-KRWDZBQOSA-N 2 2 325.460 3.380 50 0 EGAALP Cc1c2cc(C)ccc2oc1C[NH+]1CCC([NH+]2CCC(O)CC2)CC1 ZINC000216358299 241185645 /nfs/dbraw/zinc/18/56/45/241185645.db2.gz RKEQTOSNQAKSBE-UHFFFAOYSA-N 2 2 342.483 3.471 50 0 EGAALP Cc1cc(-n2nc(C3CC3)nc2-c2csc(C[NH+](C)C)n2)cc[nH+]1 ZINC000065405235 202844829 /nfs/dbraw/zinc/84/48/29/202844829.db2.gz HRXDLMDVDBTZBF-UHFFFAOYSA-N 2 2 340.456 3.033 50 0 EGAALP Cc1[nH+]cc(C[NH2+]Cc2cccnc2N(C)Cc2ccccc2)n1C ZINC000011819040 453335232 /nfs/dbraw/zinc/33/52/32/453335232.db2.gz FXEPIMPIMLFFCW-UHFFFAOYSA-N 2 2 335.455 3.050 50 0 EGAALP CSc1ccc2[nH+]c(NCCC[NH+]3CCOCC3)cc(C)c2c1 ZINC000016667985 453619728 /nfs/dbraw/zinc/61/97/28/453619728.db2.gz JZVOHJSEXSBGSK-UHFFFAOYSA-N 2 2 331.485 3.399 50 0 EGAALP CN(C)c1cc[nH+]c(NCc2ccc[nH+]c2N(C)Cc2ccccc2)n1 ZINC000067714426 453960226 /nfs/dbraw/zinc/96/02/26/453960226.db2.gz BAVVZFWAMMEBAI-UHFFFAOYSA-N 2 2 348.454 3.186 50 0 EGAALP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095386602 454200055 /nfs/dbraw/zinc/20/00/55/454200055.db2.gz BWPHHHDJNMSEST-LEWJYISDSA-N 2 2 338.499 3.178 50 0 EGAALP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095386602 454200060 /nfs/dbraw/zinc/20/00/60/454200060.db2.gz BWPHHHDJNMSEST-LEWJYISDSA-N 2 2 338.499 3.178 50 0 EGAALP Cc1[nH+]ccn1CCCN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095386602 454200069 /nfs/dbraw/zinc/20/00/69/454200069.db2.gz BWPHHHDJNMSEST-LEWJYISDSA-N 2 2 338.499 3.178 50 0 EGAALP Cc1[nH+]ccn1CCCN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095386602 454200073 /nfs/dbraw/zinc/20/00/73/454200073.db2.gz BWPHHHDJNMSEST-LEWJYISDSA-N 2 2 338.499 3.178 50 0 EGAALP c1[nH+]cn(C2CCCCC2)c1CN1CC[NH+](C2CCSCC2)CC1 ZINC000252486865 455810993 /nfs/dbraw/zinc/81/09/93/455810993.db2.gz HPPNTQDCUNULRF-UHFFFAOYSA-N 2 2 348.560 3.402 50 0 EGAALP C[C@H](c1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1)[NH+]1CCOCC1 ZINC000426578750 457857482 /nfs/dbraw/zinc/85/74/82/457857482.db2.gz OSGNDLTURVDORH-QGZVFWFLSA-N 2 2 348.450 3.387 50 0 EGAALP CCC[NH+]1CCC(CCNc2nnc([C@H]([NH3+])c3ccccc3)o2)CC1 ZINC001772712960 1441417236 /nfs/dbraw/zinc/41/72/36/1441417236.db2.gz WTXKNYHMVUXOKJ-QGZVFWFLSA-N 2 2 343.475 3.042 50 0 EGAALP Cc1cc(Br)cc(Cl)c1OCCC[NH2+]CC[NH+](C)C ZINC000020418745 202042222 /nfs/dbraw/zinc/04/22/22/202042222.db2.gz JWCWJHKGUPSIAZ-UHFFFAOYSA-N 2 2 349.700 3.331 50 0 EGAALP CCn1cc[nH+]c1CN(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020514858 202046575 /nfs/dbraw/zinc/04/65/75/202046575.db2.gz JHVVAEVOXQPRND-IBGZPJMESA-N 2 2 326.488 3.042 50 0 EGAALP CCn1cc[nH+]c1CN(C)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020514858 202046579 /nfs/dbraw/zinc/04/65/79/202046579.db2.gz JHVVAEVOXQPRND-IBGZPJMESA-N 2 2 326.488 3.042 50 0 EGAALP O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000215901171 241153369 /nfs/dbraw/zinc/15/33/69/241153369.db2.gz XGCDCPLSNAGBBU-OAQYLSRUSA-N 2 2 348.450 3.213 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419882 203386906 /nfs/dbraw/zinc/38/69/06/203386906.db2.gz MVAKLXDBSXWMHZ-HNNXBMFYSA-N 2 2 339.443 3.391 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419882 203386908 /nfs/dbraw/zinc/38/69/08/203386908.db2.gz MVAKLXDBSXWMHZ-HNNXBMFYSA-N 2 2 339.443 3.391 50 0 EGAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1nc(C(F)(F)F)no1 ZINC000077541417 203394562 /nfs/dbraw/zinc/39/45/62/203394562.db2.gz TVGUTFVDZHCSRO-LBPRGKRZSA-N 2 2 343.353 3.038 50 0 EGAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1nc(C(F)(F)F)no1 ZINC000077541417 203394563 /nfs/dbraw/zinc/39/45/63/203394563.db2.gz TVGUTFVDZHCSRO-LBPRGKRZSA-N 2 2 343.353 3.038 50 0 EGAALP CC(C)C[C@H]1C[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)CC[C@@]1(C)O ZINC000067603658 453947882 /nfs/dbraw/zinc/94/78/82/453947882.db2.gz VHJVFVBABVDOBT-PZJWPPBQSA-N 2 2 345.531 3.165 50 0 EGAALP CC(C)C[C@H]1C[N@H+](C2CC[NH+](Cc3cccnc3)CC2)CC[C@@]1(C)O ZINC000067603658 453947884 /nfs/dbraw/zinc/94/78/84/453947884.db2.gz VHJVFVBABVDOBT-PZJWPPBQSA-N 2 2 345.531 3.165 50 0 EGAALP Cc1ccc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)[nH+]c1 ZINC000095503773 454224286 /nfs/dbraw/zinc/22/42/86/454224286.db2.gz WFYUMFSDHODUBW-UHFFFAOYSA-N 2 2 333.439 3.414 50 0 EGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC000095528504 454229373 /nfs/dbraw/zinc/22/93/73/454229373.db2.gz GFIDUPJMXDWOMC-KRWDZBQOSA-N 2 2 346.519 3.121 50 0 EGAALP Cc1ccn2cc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)[nH+]c2c1 ZINC000091469077 454438783 /nfs/dbraw/zinc/43/87/83/454438783.db2.gz KRZVTCXZVRKIFG-AZUAARDMSA-N 2 2 338.499 3.339 50 0 EGAALP Cc1ccn2cc(CN3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)[nH+]c2c1 ZINC000091469077 454438786 /nfs/dbraw/zinc/43/87/86/454438786.db2.gz KRZVTCXZVRKIFG-AZUAARDMSA-N 2 2 338.499 3.339 50 0 EGAALP COc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c(Cl)c1OC ZINC000097610009 454441903 /nfs/dbraw/zinc/44/19/03/454441903.db2.gz JQFZUKAPVXPIIH-AWEZNQCLSA-N 2 2 349.862 3.466 50 0 EGAALP COc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c(Cl)c1OC ZINC000097610009 454441906 /nfs/dbraw/zinc/44/19/06/454441906.db2.gz JQFZUKAPVXPIIH-AWEZNQCLSA-N 2 2 349.862 3.466 50 0 EGAALP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091518986 454443514 /nfs/dbraw/zinc/44/35/14/454443514.db2.gz PDKPJKAQIUXSJI-IBGZPJMESA-N 3 2 338.499 3.122 50 0 EGAALP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091518986 454443519 /nfs/dbraw/zinc/44/35/19/454443519.db2.gz PDKPJKAQIUXSJI-IBGZPJMESA-N 3 2 338.499 3.122 50 0 EGAALP Cc1nnc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001232246537 1376423156 /nfs/dbraw/zinc/42/31/56/1376423156.db2.gz IDPWZIPEWGOKOK-UHFFFAOYSA-N 2 2 330.501 3.191 50 0 EGAALP Cc1nnc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001232246537 1376423157 /nfs/dbraw/zinc/42/31/57/1376423157.db2.gz IDPWZIPEWGOKOK-UHFFFAOYSA-N 2 2 330.501 3.191 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000097200803 201382805 /nfs/dbraw/zinc/38/28/05/201382805.db2.gz XLBYFXBYBWCJLY-KBPBESRZSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000097200803 201382809 /nfs/dbraw/zinc/38/28/09/201382809.db2.gz XLBYFXBYBWCJLY-KBPBESRZSA-N 2 2 327.432 3.145 50 0 EGAALP CC(C)Cn1c[nH+]cc1C[N@@H+]1CCC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000072162637 203177331 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EGAALP CCOc1ccc(-c2[nH+]ccn2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC000065422833 454563927 /nfs/dbraw/zinc/56/39/27/454563927.db2.gz YGGZYJRZGYOSKX-UHFFFAOYSA-N 2 2 329.444 3.060 50 0 EGAALP CCCn1ccnc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000065419611 454564643 /nfs/dbraw/zinc/56/46/43/454564643.db2.gz VYNSOAOHUSUZIS-UHFFFAOYSA-N 2 2 349.482 3.472 50 0 EGAALP CCCn1cc[nH+]c1CN1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000065419611 454564648 /nfs/dbraw/zinc/56/46/48/454564648.db2.gz VYNSOAOHUSUZIS-UHFFFAOYSA-N 2 2 349.482 3.472 50 0 EGAALP COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)cc1C ZINC000067472642 215150590 /nfs/dbraw/zinc/15/05/90/215150590.db2.gz KDFATRGVFVRQMM-INIZCTEOSA-N 2 2 343.471 3.446 50 0 EGAALP COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)cc1C ZINC000067472642 215150592 /nfs/dbraw/zinc/15/05/92/215150592.db2.gz KDFATRGVFVRQMM-INIZCTEOSA-N 2 2 343.471 3.446 50 0 EGAALP c1csc(-c2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)c1 ZINC000097200578 201383132 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EGAALP COc1ccc(-c2[nH+]ccn2CC[N@@H+]2CCCC[C@H]2CO)c(C)c1C ZINC000072121680 203164247 /nfs/dbraw/zinc/16/42/47/203164247.db2.gz IAXAFMMROXJGPI-KRWDZBQOSA-N 2 2 343.471 3.022 50 0 EGAALP COc1ccc(-c2[nH+]ccn2CC[N@H+]2CCCC[C@H]2CO)c(C)c1C ZINC000072121680 203164251 /nfs/dbraw/zinc/16/42/51/203164251.db2.gz IAXAFMMROXJGPI-KRWDZBQOSA-N 2 2 343.471 3.022 50 0 EGAALP COc1cccc(OC2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000072139047 203168126 /nfs/dbraw/zinc/16/81/26/203168126.db2.gz RSXFIGUSQAKQKT-UHFFFAOYSA-N 2 2 335.407 3.144 50 0 EGAALP CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072165564 203179723 /nfs/dbraw/zinc/17/97/23/203179723.db2.gz VJJZKKMEECNWMC-MRXNPFEDSA-N 2 2 342.487 3.102 50 0 EGAALP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2noc(-c3ccccc3)n2)c[nH+]1 ZINC000077357152 203383174 /nfs/dbraw/zinc/38/31/74/203383174.db2.gz ZMKVXEAPPHWNAI-QGZVFWFLSA-N 2 2 337.427 3.378 50 0 EGAALP c1cn(CC[C@H]2CCCC[N@H+]2Cc2noc(-c3ccccc3)n2)c[nH+]1 ZINC000077357152 203383177 /nfs/dbraw/zinc/38/31/77/203383177.db2.gz ZMKVXEAPPHWNAI-QGZVFWFLSA-N 2 2 337.427 3.378 50 0 EGAALP COc1cccc(-c2[nH+]ccn2CCCOC2CC[NH+](C)CC2)c1 ZINC000077356631 203383311 /nfs/dbraw/zinc/38/33/11/203383311.db2.gz RCYOPVWNZKUBJO-UHFFFAOYSA-N 2 2 329.444 3.060 50 0 EGAALP Cc1oc(-c2cccc(F)c2F)nc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000067604168 453948219 /nfs/dbraw/zinc/94/82/19/453948219.db2.gz SGVGKMQRDYHEHM-CYBMUJFWSA-N 2 2 335.398 3.360 50 0 EGAALP Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000067604168 453948222 /nfs/dbraw/zinc/94/82/22/453948222.db2.gz SGVGKMQRDYHEHM-CYBMUJFWSA-N 2 2 335.398 3.360 50 0 EGAALP Cc1ccc[nH+]c1N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091792771 454472001 /nfs/dbraw/zinc/47/20/01/454472001.db2.gz UTXDSMGGFLZJMM-UHFFFAOYSA-N 2 2 333.439 3.414 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000225344163 456078294 /nfs/dbraw/zinc/07/82/94/456078294.db2.gz XLBYFXBYBWCJLY-ZIAGYGMSSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000225344163 456078299 /nfs/dbraw/zinc/07/82/99/456078299.db2.gz XLBYFXBYBWCJLY-ZIAGYGMSSA-N 2 2 327.432 3.145 50 0 EGAALP CCC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000214995881 535441537 /nfs/dbraw/zinc/44/15/37/535441537.db2.gz MIRWAYFURUSGER-LJQANCHMSA-N 2 2 332.488 3.292 50 0 EGAALP CCC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000214995881 535441542 /nfs/dbraw/zinc/44/15/42/535441542.db2.gz MIRWAYFURUSGER-LJQANCHMSA-N 2 2 332.488 3.292 50 0 EGAALP C[NH+](C)Cc1csc(C[NH+]2CCN(CCc3ccccc3)CC2)c1 ZINC000219170361 536060728 /nfs/dbraw/zinc/06/07/28/536060728.db2.gz FOFRZAJZWAIYSR-UHFFFAOYSA-N 2 2 343.540 3.170 50 0 EGAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952872236 1334584593 /nfs/dbraw/zinc/58/45/93/1334584593.db2.gz LTLAJDVZYAWJAO-SFHVURJKSA-N 2 2 341.434 3.412 50 0 EGAALP Cc1ccc(-n2ncc3c2nc[nH+]c3NCCCn2cc[nH+]c2)c(C)c1 ZINC000003912193 210093276 /nfs/dbraw/zinc/09/32/76/210093276.db2.gz PWGWVVNEIJVBET-UHFFFAOYSA-N 2 2 347.426 3.131 50 0 EGAALP Cc1ccc2[nH+]c(N3CCC([N@@H+]4CCC[C@H](O)C4)CC3)cc(C)c2c1 ZINC000055360337 132195002 /nfs/dbraw/zinc/19/50/02/132195002.db2.gz BHBQTGBVARXOGO-SFHVURJKSA-N 2 2 339.483 3.277 50 0 EGAALP Cc1ccc2[nH+]c(N3CCC([N@H+]4CCC[C@H](O)C4)CC3)cc(C)c2c1 ZINC000055360337 132195005 /nfs/dbraw/zinc/19/50/05/132195005.db2.gz BHBQTGBVARXOGO-SFHVURJKSA-N 2 2 339.483 3.277 50 0 EGAALP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000082121345 453925509 /nfs/dbraw/zinc/92/55/09/453925509.db2.gz SEPCPKDJZLEYAO-INIZCTEOSA-N 2 2 337.427 3.158 50 0 EGAALP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000082121345 453925511 /nfs/dbraw/zinc/92/55/11/453925511.db2.gz SEPCPKDJZLEYAO-INIZCTEOSA-N 2 2 337.427 3.158 50 0 EGAALP CC[N@@H+]1CCCC[C@H]1CNc1nccc(-c2ccc(C)[nH+]c2C)n1 ZINC000071762381 454215363 /nfs/dbraw/zinc/21/53/63/454215363.db2.gz ARSVLHNQYVWRLQ-INIZCTEOSA-N 2 2 325.460 3.442 50 0 EGAALP CC[N@H+]1CCCC[C@H]1CNc1nccc(-c2ccc(C)[nH+]c2C)n1 ZINC000071762381 454215368 /nfs/dbraw/zinc/21/53/68/454215368.db2.gz ARSVLHNQYVWRLQ-INIZCTEOSA-N 2 2 325.460 3.442 50 0 EGAALP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237718482 547258644 /nfs/dbraw/zinc/25/86/44/547258644.db2.gz MIXXOAYDBCWWDA-LPHOPBHVSA-N 2 2 338.451 3.210 50 0 EGAALP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237718482 547258647 /nfs/dbraw/zinc/25/86/47/547258647.db2.gz MIXXOAYDBCWWDA-LPHOPBHVSA-N 2 2 338.451 3.210 50 0 EGAALP Cc1[nH]c(CN(CC[NH+](C)C)Cc2ccccc2C(F)(F)F)c[nH+]1 ZINC001704314404 1416439534 /nfs/dbraw/zinc/43/95/34/1416439534.db2.gz YXWKDPCFYBGLJH-UHFFFAOYSA-N 2 2 340.393 3.301 50 0 EGAALP Cc1[nH]cc(CN(CC[NH+](C)C)Cc2ccccc2C(F)(F)F)[nH+]1 ZINC001704314404 1416439535 /nfs/dbraw/zinc/43/95/35/1416439535.db2.gz YXWKDPCFYBGLJH-UHFFFAOYSA-N 2 2 340.393 3.301 50 0 EGAALP CCCOc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1Cl ZINC000072447589 216237711 /nfs/dbraw/zinc/23/77/11/216237711.db2.gz KONJPKPKQXCPJX-SFHVURJKSA-N 2 2 340.895 3.017 50 0 EGAALP CCCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1Cl ZINC000072447589 216237714 /nfs/dbraw/zinc/23/77/14/216237714.db2.gz KONJPKPKQXCPJX-SFHVURJKSA-N 2 2 340.895 3.017 50 0 EGAALP Fc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)cc1F ZINC000012198025 211317955 /nfs/dbraw/zinc/31/79/55/211317955.db2.gz KXXHQVGERKSNDS-IBGZPJMESA-N 2 2 346.425 3.176 50 0 EGAALP Fc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)cc1F ZINC000012198025 211317957 /nfs/dbraw/zinc/31/79/57/211317957.db2.gz KXXHQVGERKSNDS-IBGZPJMESA-N 2 2 346.425 3.176 50 0 EGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000091645889 218038422 /nfs/dbraw/zinc/03/84/22/218038422.db2.gz LLJLPFKRWXTSOO-UHFFFAOYSA-N 2 2 342.491 3.055 50 0 EGAALP C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)nc1)C[C@@H]1CCC[NH2+]C1 ZINC000097475086 219028234 /nfs/dbraw/zinc/02/82/34/219028234.db2.gz URFSFOQUUMSJSI-CQSZACIVSA-N 2 2 330.863 3.228 50 0 EGAALP C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)nc1)C[C@@H]1CCC[NH2+]C1 ZINC000097475086 219028236 /nfs/dbraw/zinc/02/82/36/219028236.db2.gz URFSFOQUUMSJSI-CQSZACIVSA-N 2 2 330.863 3.228 50 0 EGAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000077555635 454122192 /nfs/dbraw/zinc/12/21/92/454122192.db2.gz PDCUANPIHJVPDB-UHFFFAOYSA-N 2 2 345.535 3.171 50 0 EGAALP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000067878550 215237472 /nfs/dbraw/zinc/23/74/72/215237472.db2.gz RKFUHZHPVRCGBD-UHFFFAOYSA-N 3 2 347.466 3.288 50 0 EGAALP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000067878550 215237474 /nfs/dbraw/zinc/23/74/74/215237474.db2.gz RKFUHZHPVRCGBD-UHFFFAOYSA-N 3 2 347.466 3.288 50 0 EGAALP COCC[NH+]1CCC(c2[nH+]ccn2-c2cccc(Cl)c2F)CC1 ZINC000072133418 216022572 /nfs/dbraw/zinc/02/25/72/216022572.db2.gz FCFCNMFYYVDBTH-UHFFFAOYSA-N 2 2 337.826 3.491 50 0 EGAALP CCN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012433225 211379345 /nfs/dbraw/zinc/37/93/45/211379345.db2.gz IWDRKADXVDJYPN-SFHVURJKSA-N 2 2 344.478 3.325 50 0 EGAALP CCN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012433225 211379349 /nfs/dbraw/zinc/37/93/49/211379349.db2.gz IWDRKADXVDJYPN-SFHVURJKSA-N 2 2 344.478 3.325 50 0 EGAALP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012434346 211379152 /nfs/dbraw/zinc/37/91/52/211379152.db2.gz RTUWFJRRUPXJDW-KRWDZBQOSA-N 2 2 346.906 3.450 50 0 EGAALP C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012434346 211379155 /nfs/dbraw/zinc/37/91/55/211379155.db2.gz RTUWFJRRUPXJDW-KRWDZBQOSA-N 2 2 346.906 3.450 50 0 EGAALP C[NH+](Cc1cc[nH]n1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012434346 211379156 /nfs/dbraw/zinc/37/91/56/211379156.db2.gz RTUWFJRRUPXJDW-KRWDZBQOSA-N 2 2 346.906 3.450 50 0 EGAALP C[NH+](Cc1cc[nH]n1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012434346 211379159 /nfs/dbraw/zinc/37/91/59/211379159.db2.gz RTUWFJRRUPXJDW-KRWDZBQOSA-N 2 2 346.906 3.450 50 0 EGAALP Cc1nc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)co1 ZINC000091626355 218035743 /nfs/dbraw/zinc/03/57/43/218035743.db2.gz VPAWDZJUFULBKD-UHFFFAOYSA-N 2 2 343.456 3.064 50 0 EGAALP Cc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)c1 ZINC000095385986 218317988 /nfs/dbraw/zinc/31/79/88/218317988.db2.gz XGLCSPHYGOCGSV-KRWDZBQOSA-N 2 2 333.439 3.414 50 0 EGAALP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC000000207752 452537077 /nfs/dbraw/zinc/53/70/77/452537077.db2.gz WPZPVCJGLDFIFY-MRXNPFEDSA-N 2 2 332.488 3.400 50 0 EGAALP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC000000207752 452537084 /nfs/dbraw/zinc/53/70/84/452537084.db2.gz WPZPVCJGLDFIFY-MRXNPFEDSA-N 2 2 332.488 3.400 50 0 EGAALP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006653219 452964707 /nfs/dbraw/zinc/96/47/07/452964707.db2.gz SIDWBOBMHCUZEA-INIZCTEOSA-N 2 2 341.455 3.347 50 0 EGAALP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006653222 452965475 /nfs/dbraw/zinc/96/54/75/452965475.db2.gz SIDWBOBMHCUZEA-MRXNPFEDSA-N 2 2 341.455 3.347 50 0 EGAALP COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000012575962 453378680 /nfs/dbraw/zinc/37/86/80/453378680.db2.gz YVNWRDOQNWWERF-GOSISDBHSA-N 2 2 344.499 3.463 50 0 EGAALP COc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000012575962 453378693 /nfs/dbraw/zinc/37/86/93/453378693.db2.gz YVNWRDOQNWWERF-GOSISDBHSA-N 2 2 344.499 3.463 50 0 EGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2sccc2C)CC1 ZINC000077298571 454087757 /nfs/dbraw/zinc/08/77/57/454087757.db2.gz WWDQICVXSKNGDR-UHFFFAOYSA-N 2 2 347.532 3.109 50 0 EGAALP C[C@@H](O)c1cccc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)[nH+]1 ZINC000095505713 454224451 /nfs/dbraw/zinc/22/44/51/454224451.db2.gz NGMKDFKDGJQIBJ-CQSZACIVSA-N 2 2 326.444 3.125 50 0 EGAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]c1 ZINC000097200756 454423682 /nfs/dbraw/zinc/42/36/82/454423682.db2.gz CWWUJCUFNSRLFO-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]c1 ZINC000097200756 454423689 /nfs/dbraw/zinc/42/36/89/454423689.db2.gz CWWUJCUFNSRLFO-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP C[N@H+](CCCNC(=O)c1ccccc1-c1[nH]cc[nH+]1)C1CCCC1 ZINC000097532893 454440498 /nfs/dbraw/zinc/44/04/98/454440498.db2.gz QPQWMNTYKGCZIX-UHFFFAOYSA-N 2 2 326.444 3.071 50 0 EGAALP C[N@@H+](CCCNC(=O)c1ccccc1-c1[nH]cc[nH+]1)C1CCCC1 ZINC000097532893 454440504 /nfs/dbraw/zinc/44/05/04/454440504.db2.gz QPQWMNTYKGCZIX-UHFFFAOYSA-N 2 2 326.444 3.071 50 0 EGAALP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cncs4)CC3)C2)cs1 ZINC000829083530 1292537342 /nfs/dbraw/zinc/53/73/42/1292537342.db2.gz GOAGQDROWTXQIP-UHFFFAOYSA-N 2 2 349.525 3.072 50 0 EGAALP COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c(Cl)c1OC ZINC000097610010 219041051 /nfs/dbraw/zinc/04/10/51/219041051.db2.gz JQFZUKAPVXPIIH-CQSZACIVSA-N 2 2 349.862 3.466 50 0 EGAALP COc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c(Cl)c1OC ZINC000097610010 219041053 /nfs/dbraw/zinc/04/10/53/219041053.db2.gz JQFZUKAPVXPIIH-CQSZACIVSA-N 2 2 349.862 3.466 50 0 EGAALP c1cnn(Cc2cccc(C[NH+]3CCC(Cn4cc[nH+]c4)CC3)c2)c1 ZINC000097653965 219044540 /nfs/dbraw/zinc/04/45/40/219044540.db2.gz JYYNRCGGPQFIBI-UHFFFAOYSA-N 2 2 335.455 3.040 50 0 EGAALP CCc1[nH]c(C[N@@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000067846800 215228951 /nfs/dbraw/zinc/22/89/51/215228951.db2.gz BSQAEISDMSDFEP-FXAWDEMLSA-N 2 2 327.472 3.096 50 0 EGAALP CCc1[nH]c(C[N@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000067846800 215228952 /nfs/dbraw/zinc/22/89/52/215228952.db2.gz BSQAEISDMSDFEP-FXAWDEMLSA-N 2 2 327.472 3.096 50 0 EGAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000091965341 218095703 /nfs/dbraw/zinc/09/57/03/218095703.db2.gz CGVLYDTVEDGRMT-SQUITACLSA-N 2 2 325.456 3.422 50 0 EGAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000091965341 218095704 /nfs/dbraw/zinc/09/57/04/218095704.db2.gz CGVLYDTVEDGRMT-SQUITACLSA-N 2 2 325.456 3.422 50 0 EGAALP c1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000022588763 453694804 /nfs/dbraw/zinc/69/48/04/453694804.db2.gz AINCQLFPVPHFEL-UHFFFAOYSA-N 2 2 335.495 3.473 50 0 EGAALP CCC[C@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067740131 453961269 /nfs/dbraw/zinc/96/12/69/453961269.db2.gz JDTFCQSYIOCVGU-KRWDZBQOSA-N 2 2 339.487 3.081 50 0 EGAALP O=C(NCCCn1cc[nH+]c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000058065945 454162735 /nfs/dbraw/zinc/16/27/35/454162735.db2.gz CVBMIOLYDZMUCU-UHFFFAOYSA-N 2 2 341.459 3.081 50 0 EGAALP Cn1cc[nH+]c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000070923697 454184955 /nfs/dbraw/zinc/18/49/55/454184955.db2.gz XLWUBHHEQZTSMX-UHFFFAOYSA-N 2 2 346.478 3.327 50 0 EGAALP CCC[NH+]1CCC(CC(=O)NCc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000095522436 454227944 /nfs/dbraw/zinc/22/79/44/454227944.db2.gz XIQMLJFFHSNFIJ-UHFFFAOYSA-N 2 2 342.487 3.010 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)c1 ZINC000097200680 454423093 /nfs/dbraw/zinc/42/30/93/454423093.db2.gz FQZPWGUNCCGGAT-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)c1 ZINC000097200680 454423099 /nfs/dbraw/zinc/42/30/99/454423099.db2.gz FQZPWGUNCCGGAT-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237485237 547257138 /nfs/dbraw/zinc/25/71/38/547257138.db2.gz MIXXOAYDBCWWDA-VQIMIIECSA-N 2 2 338.451 3.210 50 0 EGAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237485237 547257143 /nfs/dbraw/zinc/25/71/43/547257143.db2.gz MIXXOAYDBCWWDA-VQIMIIECSA-N 2 2 338.451 3.210 50 0 EGAALP CCn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c(C)n1 ZINC000015071648 1291145219 /nfs/dbraw/zinc/14/52/19/1291145219.db2.gz XALWULRUQJADAB-HXUWFJFHSA-N 2 2 330.520 3.299 50 0 EGAALP CCn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c(C)n1 ZINC000015071648 1291145223 /nfs/dbraw/zinc/14/52/23/1291145223.db2.gz XALWULRUQJADAB-HXUWFJFHSA-N 2 2 330.520 3.299 50 0 EGAALP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c(C)n1 ZINC000015071648 1291145225 /nfs/dbraw/zinc/14/52/25/1291145225.db2.gz XALWULRUQJADAB-HXUWFJFHSA-N 2 2 330.520 3.299 50 0 EGAALP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c(C)n1 ZINC000015071648 1291145228 /nfs/dbraw/zinc/14/52/28/1291145228.db2.gz XALWULRUQJADAB-HXUWFJFHSA-N 2 2 330.520 3.299 50 0 EGAALP CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c(C)n1 ZINC000015071650 1291145675 /nfs/dbraw/zinc/14/56/75/1291145675.db2.gz XALWULRUQJADAB-FQEVSTJZSA-N 2 2 330.520 3.299 50 0 EGAALP CCn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c(C)n1 ZINC000015071650 1291145680 /nfs/dbraw/zinc/14/56/80/1291145680.db2.gz XALWULRUQJADAB-FQEVSTJZSA-N 2 2 330.520 3.299 50 0 EGAALP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c(C)n1 ZINC000015071650 1291145684 /nfs/dbraw/zinc/14/56/84/1291145684.db2.gz XALWULRUQJADAB-FQEVSTJZSA-N 2 2 330.520 3.299 50 0 EGAALP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c(C)n1 ZINC000015071650 1291145691 /nfs/dbraw/zinc/14/56/91/1291145691.db2.gz XALWULRUQJADAB-FQEVSTJZSA-N 2 2 330.520 3.299 50 0 EGAALP Cc1cc(C)n(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000821508327 1320018615 /nfs/dbraw/zinc/01/86/15/1320018615.db2.gz IDINZPDDDXLVQF-HNNXBMFYSA-N 2 2 332.517 3.204 50 0 EGAALP c1cn(CCC[N@H+](Cc2nc3ccccc3[nH]2)Cc2cccnc2)c[nH+]1 ZINC000067818725 215222299 /nfs/dbraw/zinc/22/22/99/215222299.db2.gz DRVJUSLYYWVNLH-UHFFFAOYSA-N 2 2 346.438 3.247 50 0 EGAALP c1cn(CCC[N@@H+](Cc2nc3ccccc3[nH]2)Cc2cccnc2)c[nH+]1 ZINC000067818725 215222301 /nfs/dbraw/zinc/22/23/01/215222301.db2.gz DRVJUSLYYWVNLH-UHFFFAOYSA-N 2 2 346.438 3.247 50 0 EGAALP CCn1cc[nH+]c1CN1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000019744525 212060596 /nfs/dbraw/zinc/06/05/96/212060596.db2.gz FNFQBUXEHLVNFD-IBGZPJMESA-N 2 2 326.488 3.042 50 0 EGAALP CCn1cc[nH+]c1CN1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000019744525 212060599 /nfs/dbraw/zinc/06/05/99/212060599.db2.gz FNFQBUXEHLVNFD-IBGZPJMESA-N 2 2 326.488 3.042 50 0 EGAALP Cc1c([C@H](C)[NH2+]C2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1F ZINC000019229558 212006532 /nfs/dbraw/zinc/00/65/32/212006532.db2.gz FTBMIXYVIMQZLQ-LBPRGKRZSA-N 2 2 334.414 3.204 50 0 EGAALP CC[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012305982 211340380 /nfs/dbraw/zinc/34/03/80/211340380.db2.gz IHGAUWAHILOEJZ-GOSISDBHSA-N 2 2 344.478 3.325 50 0 EGAALP CC[N@H+](Cc1cc[nH]n1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012305982 211340385 /nfs/dbraw/zinc/34/03/85/211340385.db2.gz IHGAUWAHILOEJZ-GOSISDBHSA-N 2 2 344.478 3.325 50 0 EGAALP CC[NH+](Cc1cc[nH]n1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012305982 211340393 /nfs/dbraw/zinc/34/03/93/211340393.db2.gz IHGAUWAHILOEJZ-GOSISDBHSA-N 2 2 344.478 3.325 50 0 EGAALP CC[NH+](Cc1cc[nH]n1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012305982 211340399 /nfs/dbraw/zinc/34/03/99/211340399.db2.gz IHGAUWAHILOEJZ-GOSISDBHSA-N 2 2 344.478 3.325 50 0 EGAALP Cc1ccc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](O)C4)CC3)cc(C)c2c1 ZINC000055360338 132194938 /nfs/dbraw/zinc/19/49/38/132194938.db2.gz BHBQTGBVARXOGO-GOSISDBHSA-N 2 2 339.483 3.277 50 0 EGAALP Cc1ccc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](O)C4)CC3)cc(C)c2c1 ZINC000055360338 132194939 /nfs/dbraw/zinc/19/49/39/132194939.db2.gz BHBQTGBVARXOGO-GOSISDBHSA-N 2 2 339.483 3.277 50 0 EGAALP CCc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000065407898 454562029 /nfs/dbraw/zinc/56/20/29/454562029.db2.gz GTDJYCBIRBSFMA-QGZVFWFLSA-N 2 2 340.471 3.186 50 0 EGAALP CCc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000065407898 454562031 /nfs/dbraw/zinc/56/20/31/454562031.db2.gz GTDJYCBIRBSFMA-QGZVFWFLSA-N 2 2 340.471 3.186 50 0 EGAALP c1cc(-c2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cs1 ZINC000065462957 454572053 /nfs/dbraw/zinc/57/20/53/454572053.db2.gz UCRLQAPERHBFCX-ZDUSSCGKSA-N 2 2 341.440 3.127 50 0 EGAALP c1cc(-c2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cs1 ZINC000065462957 454572055 /nfs/dbraw/zinc/57/20/55/454572055.db2.gz UCRLQAPERHBFCX-ZDUSSCGKSA-N 2 2 341.440 3.127 50 0 EGAALP c1[nH+]cn(Cc2ccccc2)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000252506630 455816331 /nfs/dbraw/zinc/81/63/31/455816331.db2.gz WBVMDOUDCSIXMW-UHFFFAOYSA-N 2 2 338.499 3.382 50 0 EGAALP c1[nH+]cn(Cc2ccccc2)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000252506630 455816334 /nfs/dbraw/zinc/81/63/34/455816334.db2.gz WBVMDOUDCSIXMW-UHFFFAOYSA-N 2 2 338.499 3.382 50 0 EGAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000585135069 459828316 /nfs/dbraw/zinc/82/83/16/459828316.db2.gz WGSTZKIDSFQUSP-OAHLLOKOSA-N 2 2 346.438 3.276 50 0 EGAALP CC[C@H]1C=CC[N@@H+]1Cc1cccc(OC)c1OCCn1cc[nH+]c1 ZINC000952992217 1334631900 /nfs/dbraw/zinc/63/19/00/1334631900.db2.gz YPDRQNQLAKIXFP-KRWDZBQOSA-N 2 2 327.428 3.121 50 0 EGAALP CC[C@H]1C=CC[N@H+]1Cc1cccc(OC)c1OCCn1cc[nH+]c1 ZINC000952992217 1334631903 /nfs/dbraw/zinc/63/19/03/1334631903.db2.gz YPDRQNQLAKIXFP-KRWDZBQOSA-N 2 2 327.428 3.121 50 0 EGAALP c1cn(C[C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)c[nH+]1 ZINC000097730026 219051732 /nfs/dbraw/zinc/05/17/32/219051732.db2.gz LXCINOWOSVEDIR-KRWDZBQOSA-N 3 2 344.528 3.453 50 0 EGAALP c1cn(C[C@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)c[nH+]1 ZINC000097730026 219051734 /nfs/dbraw/zinc/05/17/34/219051734.db2.gz LXCINOWOSVEDIR-KRWDZBQOSA-N 3 2 344.528 3.453 50 0 EGAALP CC1CC[NH+](Cc2ccc(C(=O)Nc3c[nH+]c4n3CCCC4)o2)CC1 ZINC000067654883 215175885 /nfs/dbraw/zinc/17/58/85/215175885.db2.gz FXMRTLDYSWGISF-UHFFFAOYSA-N 2 2 342.443 3.297 50 0 EGAALP OC[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1ccc(-c3ccccc3F)o1)C2 ZINC000072166540 216055309 /nfs/dbraw/zinc/05/53/09/216055309.db2.gz PDIAJFOARAPZGJ-WOJBJXKFSA-N 2 2 344.430 3.022 50 0 EGAALP OC[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1ccc(-c3ccccc3F)o1)C2 ZINC000072166540 216055312 /nfs/dbraw/zinc/05/53/12/216055312.db2.gz PDIAJFOARAPZGJ-WOJBJXKFSA-N 2 2 344.430 3.022 50 0 EGAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072166955 216057585 /nfs/dbraw/zinc/05/75/85/216057585.db2.gz FBAQWZOTWWTGKS-QGZVFWFLSA-N 2 2 327.407 3.434 50 0 EGAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072166955 216057588 /nfs/dbraw/zinc/05/75/88/216057588.db2.gz FBAQWZOTWWTGKS-QGZVFWFLSA-N 2 2 327.407 3.434 50 0 EGAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072166955 216057591 /nfs/dbraw/zinc/05/75/91/216057591.db2.gz FBAQWZOTWWTGKS-QGZVFWFLSA-N 2 2 327.407 3.434 50 0 EGAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072166955 216057592 /nfs/dbraw/zinc/05/75/92/216057592.db2.gz FBAQWZOTWWTGKS-QGZVFWFLSA-N 2 2 327.407 3.434 50 0 EGAALP CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)CC1 ZINC000023619234 212385701 /nfs/dbraw/zinc/38/57/01/212385701.db2.gz JMXOLJMRBMNBGV-AWEZNQCLSA-N 2 2 330.451 3.455 50 0 EGAALP COc1ccc([C@H]([NH2+]CC[NH3+])c2ccc(Br)cc2)cc1 ZINC000022917540 212334675 /nfs/dbraw/zinc/33/46/75/212334675.db2.gz PVZDSXIQUVLGRQ-MRXNPFEDSA-N 2 2 335.245 3.095 50 0 EGAALP O[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000215901216 241153203 /nfs/dbraw/zinc/15/32/03/241153203.db2.gz XGCDCPLSNAGBBU-NRFANRHFSA-N 2 2 348.450 3.213 50 0 EGAALP Cn1ccc2ccc(C[NH+]3CCC([NH+]4CCSCC4)CC3)cc21 ZINC000216461036 241194275 /nfs/dbraw/zinc/19/42/75/241194275.db2.gz LOXIWPFNSJCHTN-UHFFFAOYSA-N 2 2 329.513 3.192 50 0 EGAALP C[NH+](C)CC[NH2+]CCCOc1ccc(OCc2ccccc2)cc1 ZINC000020418914 212127649 /nfs/dbraw/zinc/12/76/49/212127649.db2.gz CHCPOYQIBLPMSB-UHFFFAOYSA-N 2 2 328.456 3.186 50 0 EGAALP CCC[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290194 /nfs/dbraw/zinc/29/01/94/218290194.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 2 2 338.499 3.238 50 0 EGAALP CCC[N@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290197 /nfs/dbraw/zinc/29/01/97/218290197.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 2 2 338.499 3.238 50 0 EGAALP CCC[NH+]1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290199 /nfs/dbraw/zinc/29/01/99/218290199.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 2 2 338.499 3.238 50 0 EGAALP CCC[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290202 /nfs/dbraw/zinc/29/02/02/218290202.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 2 2 338.499 3.238 50 0 EGAALP Cc1c(C)n(-c2ccccn2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000005207511 452846205 /nfs/dbraw/zinc/84/62/05/452846205.db2.gz XEJDOBXTGFGJJS-UHFFFAOYSA-N 2 2 347.426 3.131 50 0 EGAALP CC(C)C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077340015 454094231 /nfs/dbraw/zinc/09/42/31/454094231.db2.gz ZYHGAVZERFPHAY-UHFFFAOYSA-N 2 2 331.508 3.044 50 0 EGAALP Cc1c[nH]c(CN(C)C(=O)NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)[nH+]1 ZINC000426597235 457860582 /nfs/dbraw/zinc/86/05/82/457860582.db2.gz NZFRNWPFGQKGEX-KRWDZBQOSA-N 2 2 347.507 3.047 50 0 EGAALP Cc1c[nH]c(CN(C)C(=O)NCC[C@@H]2CCCC[N@H+]2C2CCCC2)[nH+]1 ZINC000426597235 457860590 /nfs/dbraw/zinc/86/05/90/457860590.db2.gz NZFRNWPFGQKGEX-KRWDZBQOSA-N 2 2 347.507 3.047 50 0 EGAALP Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000097679951 219046793 /nfs/dbraw/zinc/04/67/93/219046793.db2.gz QUKUHXRJVCKBIO-HXUWFJFHSA-N 2 2 342.462 3.204 50 0 EGAALP Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000097679951 219046796 /nfs/dbraw/zinc/04/67/96/219046796.db2.gz QUKUHXRJVCKBIO-HXUWFJFHSA-N 2 2 342.462 3.204 50 0 EGAALP C[C@@H](c1cccc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)c1)[NH+](C)C ZINC000215243809 241114204 /nfs/dbraw/zinc/11/42/04/241114204.db2.gz CGBYOASCWYRZAU-INIZCTEOSA-N 3 2 326.488 3.422 50 0 EGAALP c1cn(Cc2cscn2)c(C2CC[NH+](Cc3cscn3)CC2)[nH+]1 ZINC000091563061 218022812 /nfs/dbraw/zinc/02/28/12/218022812.db2.gz YAWHKPOUYNOZLU-UHFFFAOYSA-N 2 2 345.497 3.224 50 0 EGAALP CC(C)(C)C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000091830812 218073224 /nfs/dbraw/zinc/07/32/24/218073224.db2.gz UZDJIBXJARGBSB-UHFFFAOYSA-N 2 2 342.491 3.083 50 0 EGAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000095378423 218311423 /nfs/dbraw/zinc/31/14/23/218311423.db2.gz UNXGXRAIWWJAAN-KRWDZBQOSA-N 2 2 346.519 3.482 50 0 EGAALP 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CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCCC2)C1 ZINC000095378422 218311469 /nfs/dbraw/zinc/31/14/69/218311469.db2.gz UNXGXRAIWWJAAN-QGZVFWFLSA-N 2 2 346.519 3.482 50 0 EGAALP Cc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)c1 ZINC000095385987 218318339 /nfs/dbraw/zinc/31/83/39/218318339.db2.gz XGLCSPHYGOCGSV-QGZVFWFLSA-N 2 2 333.439 3.414 50 0 EGAALP C[C@H](c1ccc(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)cc1)[NH+](C)C ZINC000082137320 290225391 /nfs/dbraw/zinc/22/53/91/290225391.db2.gz GAYZCVBSKOWDBW-QGZVFWFLSA-N 2 2 337.467 3.158 50 0 EGAALP C[C@H](c1ccc(C[N@H+]2CCN(c3ccccc3)C(=O)C2)cc1)[NH+](C)C ZINC000082137320 290225397 /nfs/dbraw/zinc/22/53/97/290225397.db2.gz GAYZCVBSKOWDBW-QGZVFWFLSA-N 2 2 337.467 3.158 50 0 EGAALP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000082121346 453925728 /nfs/dbraw/zinc/92/57/28/453925728.db2.gz SEPCPKDJZLEYAO-MRXNPFEDSA-N 2 2 337.427 3.158 50 0 EGAALP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000082121346 453925730 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EGAALP CC[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000072149696 216037249 /nfs/dbraw/zinc/03/72/49/216037249.db2.gz ORXMEANPXGQKLC-SFHVURJKSA-N 2 2 335.923 3.190 50 0 EGAALP O[C@H]1C[C@@H]([C@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)c2cccs2)C1 ZINC000243893148 243030688 /nfs/dbraw/zinc/03/06/88/243030688.db2.gz AOMCMDMNYGLRBK-GMBSWORKSA-N 2 2 346.496 3.407 50 0 EGAALP Cc1[nH]c2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000244673871 243053471 /nfs/dbraw/zinc/05/34/71/243053471.db2.gz HXDJAKRPAZBOBR-KRWDZBQOSA-N 2 2 349.438 3.267 50 0 EGAALP Cc1[nH]c2ccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000244673871 243053479 /nfs/dbraw/zinc/05/34/79/243053479.db2.gz HXDJAKRPAZBOBR-KRWDZBQOSA-N 2 2 349.438 3.267 50 0 EGAALP Cc1[nH+]c2ccccc2n1CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000020514188 212142157 /nfs/dbraw/zinc/14/21/57/212142157.db2.gz MKJQXXWDXOMVKU-UHFFFAOYSA-N 2 2 337.471 3.344 50 0 EGAALP C/C=C(\C)C[N@@H+]1CCOc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000020256501 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QYXUAMJTHQYQLW-IYBDPMFKSA-N 2 2 334.529 3.482 50 0 EGAALP CCCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000092045520 218108671 /nfs/dbraw/zinc/10/86/71/218108671.db2.gz MCNHNUFTYMDENZ-QZTJIDSGSA-N 2 2 334.504 3.148 50 0 EGAALP CCCc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000092045520 218108673 /nfs/dbraw/zinc/10/86/73/218108673.db2.gz MCNHNUFTYMDENZ-QZTJIDSGSA-N 2 2 334.504 3.148 50 0 EGAALP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCCCCC1 ZINC000000333839 452565785 /nfs/dbraw/zinc/56/57/85/452565785.db2.gz UVIAJVAJCNLZJL-UHFFFAOYSA-N 2 2 338.455 3.042 50 0 EGAALP Cc1ccc2[nH]c(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)[nH+]c2c1C ZINC000082099454 453924074 /nfs/dbraw/zinc/92/40/74/453924074.db2.gz ZYQGKJPFIQTNPZ-INIZCTEOSA-N 2 2 343.471 3.040 50 0 EGAALP Cc1ccc2[nH+]c(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)[nH]c2c1C ZINC000082099454 453924076 /nfs/dbraw/zinc/92/40/76/453924076.db2.gz ZYQGKJPFIQTNPZ-INIZCTEOSA-N 2 2 343.471 3.040 50 0 EGAALP CCCn1cc(C[NH+]2CCN(c3cccc(C(C)C)[nH+]3)CC2)c(C)n1 ZINC000067540138 453940800 /nfs/dbraw/zinc/94/08/00/453940800.db2.gz YCJWROQNPXEMEA-UHFFFAOYSA-N 2 2 341.503 3.442 50 0 EGAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1noc(CC(C)C)n1 ZINC000077504665 454115095 /nfs/dbraw/zinc/11/50/95/454115095.db2.gz PPOMONCOEQXBDE-MRXNPFEDSA-N 2 2 331.464 3.218 50 0 EGAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1noc(CC(C)C)n1 ZINC000077504665 454115098 /nfs/dbraw/zinc/11/50/98/454115098.db2.gz PPOMONCOEQXBDE-MRXNPFEDSA-N 2 2 331.464 3.218 50 0 EGAALP CCn1cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095508585 454224189 /nfs/dbraw/zinc/22/41/89/454224189.db2.gz QRCADZOPQORHHH-FQEVSTJZSA-N 2 2 338.499 3.357 50 0 EGAALP CCn1cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095508585 454224194 /nfs/dbraw/zinc/22/41/94/454224194.db2.gz QRCADZOPQORHHH-FQEVSTJZSA-N 2 2 338.499 3.357 50 0 EGAALP COc1cc2[nH+]c(NCCCn3cc[nH+]c3)cc(C)c2c(OC)c1 ZINC000096902287 454383098 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EGAALP COCCC[N@@H+](Cc1ccc2ccn(C)c2c1)C1CC[NH+](C)CC1 ZINC000072406726 216197033 /nfs/dbraw/zinc/19/70/33/216197033.db2.gz VTBLAJVGCPVLOM-UHFFFAOYSA-N 2 2 329.488 3.111 50 0 EGAALP c1cc2c(nc[nH+]c2N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)[nH]1 ZINC000095363365 218296835 /nfs/dbraw/zinc/29/68/35/218296835.db2.gz YZHOIEUDUURZEF-HNNXBMFYSA-N 2 2 336.443 3.339 50 0 EGAALP c1ccc([C@@H]2C[C@H](c3noc(C[NH+]4CCCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299760219 258077569 /nfs/dbraw/zinc/07/75/69/258077569.db2.gz IEFUKZMBFKNEAT-KSZLIROESA-N 2 2 338.455 3.358 50 0 EGAALP c1ccc([C@@H]2C[C@H](c3noc(C[NH+]4CCCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299760219 258077571 /nfs/dbraw/zinc/07/75/71/258077571.db2.gz IEFUKZMBFKNEAT-KSZLIROESA-N 2 2 338.455 3.358 50 0 EGAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1C[NH+]1CCCCCC1 ZINC000101373095 296527264 /nfs/dbraw/zinc/52/72/64/296527264.db2.gz WFNSLBTVVDXNAC-UHFFFAOYSA-N 2 2 334.460 3.097 50 0 EGAALP CCCCC(=O)Nc1ccc2c(c1)[nH+]c(CCn1cc[nH+]c1C)n2C ZINC000006665031 452967777 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CCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(Cl)cc1OC ZINC000215890229 241154961 /nfs/dbraw/zinc/15/49/61/241154961.db2.gz DFHDZGAOACQJBX-CYBMUJFWSA-N 2 2 326.868 3.131 50 0 EGAALP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(Cl)cc1OC ZINC000215890229 241154967 /nfs/dbraw/zinc/15/49/67/241154967.db2.gz DFHDZGAOACQJBX-CYBMUJFWSA-N 2 2 326.868 3.131 50 0 EGAALP [NH3+]CCc1ccc(C[N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)cc1 ZINC000216487186 241196512 /nfs/dbraw/zinc/19/65/12/241196512.db2.gz BQJFEZGXSMZQGP-UHFFFAOYSA-N 2 2 330.435 3.161 50 0 EGAALP [NH3+]CCc1ccc(C[N@H+]2Cc3cnc(-c4ccccc4)nc3C2)cc1 ZINC000216487186 241196516 /nfs/dbraw/zinc/19/65/16/241196516.db2.gz BQJFEZGXSMZQGP-UHFFFAOYSA-N 2 2 330.435 3.161 50 0 EGAALP CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)C[NH+]2CCCCCCC2)C1 ZINC000095383023 218316063 /nfs/dbraw/zinc/31/60/63/218316063.db2.gz SGUUXLMKLOLPSV-SFHVURJKSA-N 2 2 346.519 3.436 50 0 EGAALP Cc1c[nH]c(CN(C)C(=O)NCC[C@H]2CCCC[N@@H+]2C2CCCC2)[nH+]1 ZINC000426597236 457860293 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c1cn(CCC[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)CCO3)c[nH+]1 ZINC000055401121 214318195 /nfs/dbraw/zinc/31/81/95/214318195.db2.gz ZITUYGKQVBNNGZ-UHFFFAOYSA-N 2 2 348.450 3.306 50 0 EGAALP Cc1oc(-c2cccc(F)c2F)nc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000067604172 215166865 /nfs/dbraw/zinc/16/68/65/215166865.db2.gz SGVGKMQRDYHEHM-ZDUSSCGKSA-N 2 2 335.398 3.360 50 0 EGAALP Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000067604172 215166866 /nfs/dbraw/zinc/16/68/66/215166866.db2.gz SGVGKMQRDYHEHM-ZDUSSCGKSA-N 2 2 335.398 3.360 50 0 EGAALP Clc1ccc(-n2cccc2C[N@@H+]2CCCn3c[nH+]cc3C2)nc1 ZINC000072121911 216015299 /nfs/dbraw/zinc/01/52/99/216015299.db2.gz LLEIRYONPWXTMH-UHFFFAOYSA-N 2 2 327.819 3.128 50 0 EGAALP Clc1ccc(-n2cccc2C[N@H+]2CCCn3c[nH+]cc3C2)nc1 ZINC000072121911 216015302 /nfs/dbraw/zinc/01/53/02/216015302.db2.gz LLEIRYONPWXTMH-UHFFFAOYSA-N 2 2 327.819 3.128 50 0 EGAALP CCn1cc[nH+]c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072146289 216033503 /nfs/dbraw/zinc/03/35/03/216033503.db2.gz 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50 0 EGAALP Cc1ccc(-n2ncc3c2nc[nH+]c3NCCCn2cc[nH+]c2)cc1C ZINC000008582989 453218043 /nfs/dbraw/zinc/21/80/43/453218043.db2.gz VNZYPCICVUKOMG-UHFFFAOYSA-N 2 2 347.426 3.131 50 0 EGAALP Cn1c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCOCC2)cc2ccccc21 ZINC000077407817 454102361 /nfs/dbraw/zinc/10/23/61/454102361.db2.gz KCWMCZHZOKYPOG-IBGZPJMESA-N 2 2 341.499 3.255 50 0 EGAALP Cn1c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCOCC2)cc2ccccc21 ZINC000077407817 454102366 /nfs/dbraw/zinc/10/23/66/454102366.db2.gz KCWMCZHZOKYPOG-IBGZPJMESA-N 2 2 341.499 3.255 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419887 454104474 /nfs/dbraw/zinc/10/44/74/454104474.db2.gz MVAKLXDBSXWMHZ-OAHLLOKOSA-N 2 2 339.443 3.391 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419887 454104478 /nfs/dbraw/zinc/10/44/78/454104478.db2.gz MVAKLXDBSXWMHZ-OAHLLOKOSA-N 2 2 339.443 3.391 50 0 EGAALP CCCC[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077472078 454109797 /nfs/dbraw/zinc/10/97/97/454109797.db2.gz SPMVDVSRXQKSOG-UHFFFAOYSA-N 2 2 331.508 3.188 50 0 EGAALP c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cc(C[NH+]2CCOCC2)c1 ZINC000071749146 454213594 /nfs/dbraw/zinc/21/35/94/454213594.db2.gz XWINMMLGPFXKGJ-JQBYJRRVSA-N 2 2 340.511 3.387 50 0 EGAALP c1cc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cc(C[NH+]2CCOCC2)c1 ZINC000071749146 454213598 /nfs/dbraw/zinc/21/35/98/454213598.db2.gz XWINMMLGPFXKGJ-JQBYJRRVSA-N 2 2 340.511 3.387 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000225344858 456078665 /nfs/dbraw/zinc/07/86/65/456078665.db2.gz CIWPKEFTDGLFDT-ZIAGYGMSSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000225344858 456078669 /nfs/dbraw/zinc/07/86/69/456078669.db2.gz CIWPKEFTDGLFDT-ZIAGYGMSSA-N 2 2 327.432 3.145 50 0 EGAALP CC(C)[C@H](NC(=O)c1ccc(-c2c[nH+]ccc2N)cc1)c1[nH+]ccn1C ZINC000426470815 457836526 /nfs/dbraw/zinc/83/65/26/457836526.db2.gz QTZGXGFNNXWNRH-SFHVURJKSA-N 2 2 349.438 3.022 50 0 EGAALP C[NH+]1CCC([N@H+](Cc2cccnc2)Cc2cccc3nccnc23)CC1 ZINC000072148612 1292275898 /nfs/dbraw/zinc/27/58/98/1292275898.db2.gz XWYUEQMKCTWITP-UHFFFAOYSA-N 2 2 347.466 3.121 50 0 EGAALP C[NH+]1CCC([N@@H+](Cc2cccnc2)Cc2cccc3nccnc23)CC1 ZINC000072148612 1292275903 /nfs/dbraw/zinc/27/59/03/1292275903.db2.gz XWYUEQMKCTWITP-UHFFFAOYSA-N 2 2 347.466 3.121 50 0 EGAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072135609 216024856 /nfs/dbraw/zinc/02/48/56/216024856.db2.gz AJXRWAXTEROYTB-CQSZACIVSA-N 2 2 347.846 3.486 50 0 EGAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072135609 216024858 /nfs/dbraw/zinc/02/48/58/216024858.db2.gz AJXRWAXTEROYTB-CQSZACIVSA-N 2 2 347.846 3.486 50 0 EGAALP COCCC[N@H+](Cc1cccc(Cl)c1F)C1CC[NH+](C)CC1 ZINC000072152774 216040821 /nfs/dbraw/zinc/04/08/21/216040821.db2.gz NENQVWFPIHZOLP-UHFFFAOYSA-N 2 2 328.859 3.412 50 0 EGAALP COCCC[N@@H+](Cc1cccc(Cl)c1F)C1CC[NH+](C)CC1 ZINC000072152774 216040824 /nfs/dbraw/zinc/04/08/24/216040824.db2.gz NENQVWFPIHZOLP-UHFFFAOYSA-N 2 2 328.859 3.412 50 0 EGAALP CC(C)c1ccc(OCC[N@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072149146 216037064 /nfs/dbraw/zinc/03/70/64/216037064.db2.gz PZDRQKCUTODZLF-UHFFFAOYSA-N 2 2 342.487 3.011 50 0 EGAALP CC(C)c1ccc(OCC[N@@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072149146 216037066 /nfs/dbraw/zinc/03/70/66/216037066.db2.gz PZDRQKCUTODZLF-UHFFFAOYSA-N 2 2 342.487 3.011 50 0 EGAALP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000072408471 216199365 /nfs/dbraw/zinc/19/93/65/216199365.db2.gz CHLKWQWGUQDICT-LJQANCHMSA-N 2 2 348.874 3.489 50 0 EGAALP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000072408471 216199369 /nfs/dbraw/zinc/19/93/69/216199369.db2.gz CHLKWQWGUQDICT-LJQANCHMSA-N 2 2 348.874 3.489 50 0 EGAALP C[C@H](c1cccc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)c1)[NH+](C)C ZINC000215243857 241113258 /nfs/dbraw/zinc/11/32/58/241113258.db2.gz CGBYOASCWYRZAU-MRXNPFEDSA-N 3 2 326.488 3.422 50 0 EGAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091417001 218003180 /nfs/dbraw/zinc/00/31/80/218003180.db2.gz WBRIYOHUTVDZTI-VQTJNVASSA-N 2 2 338.499 3.390 50 0 EGAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091417001 218003182 /nfs/dbraw/zinc/00/31/82/218003182.db2.gz WBRIYOHUTVDZTI-VQTJNVASSA-N 2 2 338.499 3.390 50 0 EGAALP CCc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cn1 ZINC000011753546 211243813 /nfs/dbraw/zinc/24/38/13/211243813.db2.gz CZZUOQAUFGREKE-HXUWFJFHSA-N 2 2 328.504 3.127 50 0 EGAALP CCc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cn1 ZINC000011753546 211243814 /nfs/dbraw/zinc/24/38/14/211243814.db2.gz CZZUOQAUFGREKE-HXUWFJFHSA-N 2 2 328.504 3.127 50 0 EGAALP CCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cn1 ZINC000011753546 211243817 /nfs/dbraw/zinc/24/38/17/211243817.db2.gz CZZUOQAUFGREKE-HXUWFJFHSA-N 2 2 328.504 3.127 50 0 EGAALP CCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cn1 ZINC000011753546 211243819 /nfs/dbraw/zinc/24/38/19/211243819.db2.gz CZZUOQAUFGREKE-HXUWFJFHSA-N 2 2 328.504 3.127 50 0 EGAALP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000071775013 258063946 /nfs/dbraw/zinc/06/39/46/258063946.db2.gz FNZIPKHDLUSZJL-UHFFFAOYSA-N 2 2 337.467 3.188 50 0 EGAALP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000055252633 453971950 /nfs/dbraw/zinc/97/19/50/453971950.db2.gz VVVZZFPAHRYHDR-HXUWFJFHSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000055252633 453971953 /nfs/dbraw/zinc/97/19/53/453971953.db2.gz VVVZZFPAHRYHDR-HXUWFJFHSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252633 453971957 /nfs/dbraw/zinc/97/19/57/453971957.db2.gz VVVZZFPAHRYHDR-HXUWFJFHSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252633 453971959 /nfs/dbraw/zinc/97/19/59/453971959.db2.gz VVVZZFPAHRYHDR-HXUWFJFHSA-N 2 2 332.463 3.293 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1noc(C2CCCC2)n1 ZINC000077408250 454102725 /nfs/dbraw/zinc/10/27/25/454102725.db2.gz FGTNIDIHZXDRML-MRXNPFEDSA-N 2 2 343.475 3.448 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1noc(C2CCCC2)n1 ZINC000077408250 454102730 /nfs/dbraw/zinc/10/27/30/454102730.db2.gz FGTNIDIHZXDRML-MRXNPFEDSA-N 2 2 343.475 3.448 50 0 EGAALP c1ccc(-c2nnc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200490 454423489 /nfs/dbraw/zinc/42/34/89/454423489.db2.gz SUULLXXHFHGEFZ-HNNXBMFYSA-N 2 2 335.411 3.066 50 0 EGAALP c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200490 454423496 /nfs/dbraw/zinc/42/34/96/454423496.db2.gz SUULLXXHFHGEFZ-HNNXBMFYSA-N 2 2 335.411 3.066 50 0 EGAALP Cc1c[nH]c(CN(C)C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)[nH+]1 ZINC000299774768 456780351 /nfs/dbraw/zinc/78/03/51/456780351.db2.gz IELXPZGCNWTEIN-UHFFFAOYSA-N 2 2 340.471 3.366 50 0 EGAALP CC(=O)c1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)c3)CC2)cs1 ZINC000215278283 534818338 /nfs/dbraw/zinc/81/83/38/534818338.db2.gz NUQPHHSEJROCNH-UHFFFAOYSA-N 2 2 329.469 3.285 50 0 EGAALP O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828065520 1292425622 /nfs/dbraw/zinc/42/56/22/1292425622.db2.gz WRGZXIAEIRSQMN-UHFFFAOYSA-N 2 2 349.478 3.279 50 0 EGAALP O=C(C[N@H+]1CCc2ccccc2C1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828065520 1292425628 /nfs/dbraw/zinc/42/56/28/1292425628.db2.gz WRGZXIAEIRSQMN-UHFFFAOYSA-N 2 2 349.478 3.279 50 0 EGAALP COc1ccc(C[N@H+](Cc2cccnc2)C2CC[NH+](C)CC2)cc1C ZINC000072162268 216049856 /nfs/dbraw/zinc/04/98/56/216049856.db2.gz OASKWCHPMGUTMO-UHFFFAOYSA-N 2 2 339.483 3.495 50 0 EGAALP COc1ccc(C[N@@H+](Cc2cccnc2)C2CC[NH+](C)CC2)cc1C ZINC000072162268 216049859 /nfs/dbraw/zinc/04/98/59/216049859.db2.gz OASKWCHPMGUTMO-UHFFFAOYSA-N 2 2 339.483 3.495 50 0 EGAALP Cc1cc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc(C)[nH+]1 ZINC000072434416 216229045 /nfs/dbraw/zinc/22/90/45/216229045.db2.gz SVUMBUIDLCEBHH-UHFFFAOYSA-N 3 2 347.466 3.206 50 0 EGAALP CC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)CC1 ZINC000023619237 212386121 /nfs/dbraw/zinc/38/61/21/212386121.db2.gz JMXOLJMRBMNBGV-CQSZACIVSA-N 2 2 330.451 3.455 50 0 EGAALP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)[nH]1 ZINC000244874238 243091687 /nfs/dbraw/zinc/09/16/87/243091687.db2.gz WXBXTJLKGCBEHJ-INIZCTEOSA-N 3 2 330.501 3.447 50 0 EGAALP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)[nH]1 ZINC000244874238 243091690 /nfs/dbraw/zinc/09/16/90/243091690.db2.gz WXBXTJLKGCBEHJ-INIZCTEOSA-N 3 2 330.501 3.447 50 0 EGAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591908 453379263 /nfs/dbraw/zinc/37/92/63/453379263.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 3 2 341.543 3.377 50 0 EGAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591908 453379269 /nfs/dbraw/zinc/37/92/69/453379269.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 3 2 341.543 3.377 50 0 EGAALP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591908 453379271 /nfs/dbraw/zinc/37/92/71/453379271.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 3 2 341.543 3.377 50 0 EGAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591908 453379274 /nfs/dbraw/zinc/37/92/74/453379274.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 3 2 341.543 3.377 50 0 EGAALP CN(C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000082139655 453926000 /nfs/dbraw/zinc/92/60/00/453926000.db2.gz YFXGJTMVICUSIP-IBGZPJMESA-N 2 2 347.466 3.289 50 0 EGAALP C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CCCn1cc[nH+]c1 ZINC000067724013 453960798 /nfs/dbraw/zinc/96/07/98/453960798.db2.gz VTDHRYLCGACJQM-HNNXBMFYSA-N 2 2 338.411 3.245 50 0 EGAALP O=C(NCCC[NH+]1CCCC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000095500409 454221895 /nfs/dbraw/zinc/22/18/95/454221895.db2.gz DKMIDUHNQAQGNF-UHFFFAOYSA-N 2 2 347.850 3.133 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000096164610 454296943 /nfs/dbraw/zinc/29/69/43/454296943.db2.gz MHAWZNOEBKRKNM-UHFFFAOYSA-N 2 2 345.535 3.313 50 0 EGAALP C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1[nH]cc[nH+]1)c1cccs1 ZINC000097815231 454446027 /nfs/dbraw/zinc/44/60/27/454446027.db2.gz TVYDAPLYLZEWIX-OAHLLOKOSA-N 2 2 340.452 3.171 50 0 EGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)NC2CCCCCC2)C1 ZINC000092022521 454505504 /nfs/dbraw/zinc/50/55/04/454505504.db2.gz SITFRXFZFWXIBF-QGZVFWFLSA-N 2 2 346.519 3.312 50 0 EGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCCCC2)C1 ZINC000092022521 454505508 /nfs/dbraw/zinc/50/55/08/454505508.db2.gz SITFRXFZFWXIBF-QGZVFWFLSA-N 2 2 346.519 3.312 50 0 EGAALP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237494432 547257482 /nfs/dbraw/zinc/25/74/82/547257482.db2.gz MIXXOAYDBCWWDA-APWZRJJASA-N 2 2 338.451 3.210 50 0 EGAALP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237494432 547257487 /nfs/dbraw/zinc/25/74/87/547257487.db2.gz MIXXOAYDBCWWDA-APWZRJJASA-N 2 2 338.451 3.210 50 0 EGAALP C[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000952963466 1334625510 /nfs/dbraw/zinc/62/55/10/1334625510.db2.gz IOQAZYUNIUMJSG-GOSISDBHSA-N 2 2 346.478 3.409 50 0 EGAALP COc1cc(F)c(C[N@H+](C)C[C@@H]2CCC[NH+](C(C)C)C2)cc1OC ZINC000072168358 216058799 /nfs/dbraw/zinc/05/87/99/216058799.db2.gz OAVNGFOSMVGMPT-HNNXBMFYSA-N 2 2 338.467 3.395 50 0 EGAALP COc1cc(F)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C(C)C)C2)cc1OC ZINC000072168358 216058802 /nfs/dbraw/zinc/05/88/02/216058802.db2.gz OAVNGFOSMVGMPT-HNNXBMFYSA-N 2 2 338.467 3.395 50 0 EGAALP COc1cc(F)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000072168358 216058804 /nfs/dbraw/zinc/05/88/04/216058804.db2.gz OAVNGFOSMVGMPT-HNNXBMFYSA-N 2 2 338.467 3.395 50 0 EGAALP COc1cc(F)c(C[NH+](C)C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000072168358 216058807 /nfs/dbraw/zinc/05/88/07/216058807.db2.gz OAVNGFOSMVGMPT-HNNXBMFYSA-N 2 2 338.467 3.395 50 0 EGAALP c1cn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000022780751 212324109 /nfs/dbraw/zinc/32/41/09/212324109.db2.gz IJKLJGKTNBYXSW-FQEVSTJZSA-N 2 2 332.451 3.236 50 0 EGAALP C[N@@H+](Cc1cnc(-c2ccco2)nc1)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000215809139 241147408 /nfs/dbraw/zinc/14/74/08/241147408.db2.gz FVQOAKSUVNCKCQ-UHFFFAOYSA-N 2 2 334.423 3.314 50 0 EGAALP C[N@H+](Cc1cnc(-c2ccco2)nc1)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000215809139 241147413 /nfs/dbraw/zinc/14/74/13/241147413.db2.gz FVQOAKSUVNCKCQ-UHFFFAOYSA-N 2 2 334.423 3.314 50 0 EGAALP C[NH+](Cc1cnc(-c2ccco2)nc1)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000215809139 241147418 /nfs/dbraw/zinc/14/74/18/241147418.db2.gz FVQOAKSUVNCKCQ-UHFFFAOYSA-N 2 2 334.423 3.314 50 0 EGAALP C[NH+](Cc1cnc(-c2ccco2)nc1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000215809139 241147422 /nfs/dbraw/zinc/14/74/22/241147422.db2.gz FVQOAKSUVNCKCQ-UHFFFAOYSA-N 2 2 334.423 3.314 50 0 EGAALP C[N@H+](CCn1cc[nH+]c1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000216196492 241170306 /nfs/dbraw/zinc/17/03/06/241170306.db2.gz DPBCDTXCNZWHSY-UHFFFAOYSA-N 2 2 331.423 3.330 50 0 EGAALP C[N@@H+](CCn1cc[nH+]c1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000216196492 241170311 /nfs/dbraw/zinc/17/03/11/241170311.db2.gz DPBCDTXCNZWHSY-UHFFFAOYSA-N 2 2 331.423 3.330 50 0 EGAALP C[NH+](C)CC[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CCO1 ZINC000020453541 212131115 /nfs/dbraw/zinc/13/11/15/212131115.db2.gz CGCBPVBVFRXMON-LJQANCHMSA-N 2 2 332.488 3.161 50 0 EGAALP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CCO1 ZINC000020453541 212131116 /nfs/dbraw/zinc/13/11/16/212131116.db2.gz CGCBPVBVFRXMON-LJQANCHMSA-N 2 2 332.488 3.161 50 0 EGAALP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C[NH+]1CCCC1 ZINC000097547803 219034741 /nfs/dbraw/zinc/03/47/41/219034741.db2.gz ZEKKNJWZANNUCZ-FQEVSTJZSA-N 3 2 345.531 3.207 50 0 EGAALP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C[NH+]1CCCC1 ZINC000097547803 219034744 /nfs/dbraw/zinc/03/47/44/219034744.db2.gz ZEKKNJWZANNUCZ-FQEVSTJZSA-N 3 2 345.531 3.207 50 0 EGAALP CC[N@H+](Cc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1O ZINC000215519219 279240986 /nfs/dbraw/zinc/24/09/86/279240986.db2.gz SFYANBBBBHZDIW-RTBURBONSA-N 2 2 343.471 3.088 50 0 EGAALP CC[N@@H+](Cc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1O ZINC000215519219 279240988 /nfs/dbraw/zinc/24/09/88/279240988.db2.gz SFYANBBBBHZDIW-RTBURBONSA-N 2 2 343.471 3.088 50 0 EGAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000095502029 454221977 /nfs/dbraw/zinc/22/19/77/454221977.db2.gz OVNRLAISHIFFGT-UHFFFAOYSA-N 2 2 346.519 3.265 50 0 EGAALP C[N@@H+]1CCCC2(CC[NH+](C3CC[NH+](Cc4ccco4)CC3)CC2)CC1 ZINC000067654316 215174942 /nfs/dbraw/zinc/17/49/42/215174942.db2.gz FRRFUBAXAFJFEZ-UHFFFAOYSA-N 3 2 345.531 3.442 50 0 EGAALP C[N@H+]1CCCC2(CC[NH+](C3CC[NH+](Cc4ccco4)CC3)CC2)CC1 ZINC000067654316 215174946 /nfs/dbraw/zinc/17/49/46/215174946.db2.gz FRRFUBAXAFJFEZ-UHFFFAOYSA-N 3 2 345.531 3.442 50 0 EGAALP CC(=O)Nc1ccc(-c2[nH+]ccn2Cc2c[nH+]cn2CC(C)C)cc1 ZINC000072457747 216242113 /nfs/dbraw/zinc/24/21/13/216242113.db2.gz KHIQRLUETXZMKY-UHFFFAOYSA-N 2 2 337.427 3.409 50 0 EGAALP CC[NH+]1CCC([N@@H+]2CCc3onc(-c4ccccc4F)c3C2)CC1 ZINC000015078728 453554219 /nfs/dbraw/zinc/55/42/19/453554219.db2.gz GOIOFVRXVBCHFX-UHFFFAOYSA-N 2 2 329.419 3.323 50 0 EGAALP CC[NH+]1CCC([N@H+]2CCc3onc(-c4ccccc4F)c3C2)CC1 ZINC000015078728 453554225 /nfs/dbraw/zinc/55/42/25/453554225.db2.gz GOIOFVRXVBCHFX-UHFFFAOYSA-N 2 2 329.419 3.323 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489185 454111952 /nfs/dbraw/zinc/11/19/52/454111952.db2.gz CCBZCCJFZOZWQR-INIZCTEOSA-N 2 2 329.492 3.428 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489185 454111955 /nfs/dbraw/zinc/11/19/55/454111955.db2.gz CCBZCCJFZOZWQR-INIZCTEOSA-N 2 2 329.492 3.428 50 0 EGAALP Cc1nc(N2CCC[N@@H+](C3CCCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426490757 457842233 /nfs/dbraw/zinc/84/22/33/457842233.db2.gz UEUGVBXDWBLNHH-KRWDZBQOSA-N 2 2 344.503 3.134 50 0 EGAALP Cc1nc(N2CCC[N@H+](C3CCCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426490757 457842236 /nfs/dbraw/zinc/84/22/36/457842236.db2.gz UEUGVBXDWBLNHH-KRWDZBQOSA-N 2 2 344.503 3.134 50 0 EGAALP CCc1oc(C(=O)N[C@@H](CC)c2[nH]cc(C)[nH+]2)cc1C[NH+]1CCCC1 ZINC000670470018 548220415 /nfs/dbraw/zinc/22/04/15/548220415.db2.gz ROVCRFLIVPDXDX-HNNXBMFYSA-N 2 2 344.459 3.350 50 0 EGAALP C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208302 /nfs/dbraw/zinc/20/83/02/1320208302.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 2 337.467 3.329 50 0 EGAALP C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208307 /nfs/dbraw/zinc/20/83/07/1320208307.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 2 337.467 3.329 50 0 EGAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208310 /nfs/dbraw/zinc/20/83/10/1320208310.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 2 337.467 3.329 50 0 EGAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208316 /nfs/dbraw/zinc/20/83/16/1320208316.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 2 337.467 3.329 50 0 EGAALP CCOc1ccc2[nH]c(=O)c(C[NH2+][C@@H](CC)Cn3cc[nH+]c3)cc2c1 ZINC000952972299 1334627592 /nfs/dbraw/zinc/62/75/92/1334627592.db2.gz ZRMDYFMAJKFUCK-INIZCTEOSA-N 2 2 340.427 3.104 50 0 EGAALP c1csc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)c1 ZINC000022074122 212275651 /nfs/dbraw/zinc/27/56/51/212275651.db2.gz QKDZDUIJNAFEIO-UHFFFAOYSA-N 2 2 346.496 3.139 50 0 EGAALP COc1cccc(C[NH+]2CCC([NH+]3CCC(C)CC3)CC2)c1OC ZINC000000315775 452562912 /nfs/dbraw/zinc/56/29/12/452562912.db2.gz BCEAPEFYOMHQGL-UHFFFAOYSA-N 2 2 332.488 3.400 50 0 EGAALP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2noc(-c3ccccc3)n2)c[nH+]1 ZINC000077357156 454096362 /nfs/dbraw/zinc/09/63/62/454096362.db2.gz ZMKVXEAPPHWNAI-KRWDZBQOSA-N 2 2 337.427 3.378 50 0 EGAALP c1cn(CC[C@@H]2CCCC[N@H+]2Cc2noc(-c3ccccc3)n2)c[nH+]1 ZINC000077357156 454096366 /nfs/dbraw/zinc/09/63/66/454096366.db2.gz ZMKVXEAPPHWNAI-KRWDZBQOSA-N 2 2 337.427 3.378 50 0 EGAALP CC(C)[NH+]1CCC(Cn2cc[nH+]c2-c2cccc(OCCO)c2)CC1 ZINC000071762268 454215335 /nfs/dbraw/zinc/21/53/35/454215335.db2.gz LOSKHOFZZZHBBK-UHFFFAOYSA-N 2 2 343.471 3.042 50 0 EGAALP C[C@H](O)c1cccc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)[nH+]1 ZINC000095505712 454223812 /nfs/dbraw/zinc/22/38/12/454223812.db2.gz NGMKDFKDGJQIBJ-AWEZNQCLSA-N 2 2 326.444 3.125 50 0 EGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC000095528505 454229330 /nfs/dbraw/zinc/22/93/30/454229330.db2.gz GFIDUPJMXDWOMC-QGZVFWFLSA-N 2 2 346.519 3.121 50 0 EGAALP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000097200541 454422895 /nfs/dbraw/zinc/42/28/95/454422895.db2.gz CIWPKEFTDGLFDT-KBPBESRZSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000097200541 454422899 /nfs/dbraw/zinc/42/28/99/454422899.db2.gz CIWPKEFTDGLFDT-KBPBESRZSA-N 2 2 327.432 3.145 50 0 EGAALP CC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)n(C)c1 ZINC000215109092 534816860 /nfs/dbraw/zinc/81/68/60/534816860.db2.gz QUEOADAOYAJYBV-GOSISDBHSA-N 2 2 328.460 3.177 50 0 EGAALP CC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)n(C)c1 ZINC000215109092 534816863 /nfs/dbraw/zinc/81/68/63/534816863.db2.gz QUEOADAOYAJYBV-GOSISDBHSA-N 2 2 328.460 3.177 50 0 EGAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(-c2ccccc2)nc2ncccn21 ZINC000952870317 1334583593 /nfs/dbraw/zinc/58/35/93/1334583593.db2.gz VTGWKUBYXFHNGO-QGZVFWFLSA-N 2 2 346.438 3.161 50 0 EGAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952872234 1334584416 /nfs/dbraw/zinc/58/44/16/1334584416.db2.gz LTLAJDVZYAWJAO-GOSISDBHSA-N 2 2 341.434 3.412 50 0 EGAALP CCOc1ccc2[nH]c(=O)c(C[NH2+][C@H](CC)Cn3cc[nH+]c3)cc2c1 ZINC000952972301 1334627715 /nfs/dbraw/zinc/62/77/15/1334627715.db2.gz ZRMDYFMAJKFUCK-MRXNPFEDSA-N 2 2 340.427 3.104 50 0 EGAALP c1coc(C[NH+]2CCC([NH2+]CC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000067833871 215224148 /nfs/dbraw/zinc/22/41/48/215224148.db2.gz YZKPWECGPSUGBD-UHFFFAOYSA-N 3 2 345.531 3.488 50 0 EGAALP Cc1ccccc1-c1cccc(C[NH+]2CCN3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000216011364 241159201 /nfs/dbraw/zinc/15/92/01/241159201.db2.gz LJZIALCJZPLFIH-OAQYLSRUSA-N 2 2 335.495 3.094 50 0 EGAALP Cc1ccccc1-c1cccc(C[NH+]2CCN3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000216011364 241159205 /nfs/dbraw/zinc/15/92/05/241159205.db2.gz LJZIALCJZPLFIH-OAQYLSRUSA-N 2 2 335.495 3.094 50 0 EGAALP Cc1ccccc1-c1cccc(C[N@H+]2CCN3CC[NH+](C)C[C@@H]3C2)c1 ZINC000216011364 241159209 /nfs/dbraw/zinc/15/92/09/241159209.db2.gz LJZIALCJZPLFIH-OAQYLSRUSA-N 2 2 335.495 3.094 50 0 EGAALP Cc1ccccc1-c1cccc(C[N@@H+]2CCN3CC[NH+](C)C[C@@H]3C2)c1 ZINC000216011364 241159213 /nfs/dbraw/zinc/15/92/13/241159213.db2.gz LJZIALCJZPLFIH-OAQYLSRUSA-N 2 2 335.495 3.094 50 0 EGAALP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216511830 241197919 /nfs/dbraw/zinc/19/79/19/241197919.db2.gz QFLFEFOUSGKJCO-UHFFFAOYSA-N 2 2 327.476 3.322 50 0 EGAALP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216511830 241197926 /nfs/dbraw/zinc/19/79/26/241197926.db2.gz QFLFEFOUSGKJCO-UHFFFAOYSA-N 2 2 327.476 3.322 50 0 EGAALP C[NH+](C)CC[NH2+]CCCCOc1ccc(Br)cc1Cl ZINC000020418843 212126530 /nfs/dbraw/zinc/12/65/30/212126530.db2.gz PSSCDCRCNPGCCM-UHFFFAOYSA-N 2 2 349.700 3.413 50 0 EGAALP Cc1oc(-c2cc(F)ccc2F)nc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000019772733 212064095 /nfs/dbraw/zinc/06/40/95/212064095.db2.gz OSVGXFIDHXYHKW-UHFFFAOYSA-N 2 2 332.354 3.257 50 0 EGAALP Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000019772733 212064096 /nfs/dbraw/zinc/06/40/96/212064096.db2.gz OSVGXFIDHXYHKW-UHFFFAOYSA-N 2 2 332.354 3.257 50 0 EGAALP c1cn(CC2CCC2)c(C2CC[NH+](Cc3nnc(C4CC4)o3)CC2)[nH+]1 ZINC000091872438 218080737 /nfs/dbraw/zinc/08/07/37/218080737.db2.gz XBOFKGRXGDQHNW-UHFFFAOYSA-N 2 2 341.459 3.323 50 0 EGAALP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C[NH+]1CCCC1 ZINC000097547801 219034145 /nfs/dbraw/zinc/03/41/45/219034145.db2.gz ZEKKNJWZANNUCZ-HXUWFJFHSA-N 3 2 345.531 3.207 50 0 EGAALP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C[NH+]1CCCC1 ZINC000097547801 219034148 /nfs/dbraw/zinc/03/41/48/219034148.db2.gz ZEKKNJWZANNUCZ-HXUWFJFHSA-N 3 2 345.531 3.207 50 0 EGAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097547403 219034328 /nfs/dbraw/zinc/03/43/28/219034328.db2.gz DKZUCLSNUDZLGS-INIZCTEOSA-N 2 2 337.427 3.118 50 0 EGAALP COCCn1c[nH+]cc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000243892635 274041132 /nfs/dbraw/zinc/04/11/32/274041132.db2.gz AJUUCXIOKXICNN-UHFFFAOYSA-N 2 2 325.456 3.010 50 0 EGAALP CCc1ccc2[nH]c(C)c(C[N@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008714154 453225883 /nfs/dbraw/zinc/22/58/83/453225883.db2.gz VXJVUTWEOJXKPQ-UHFFFAOYSA-N 2 2 327.472 3.337 50 0 EGAALP CCc1ccc2[nH]c(C)c(C[N@@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008714154 453225889 /nfs/dbraw/zinc/22/58/89/453225889.db2.gz VXJVUTWEOJXKPQ-UHFFFAOYSA-N 2 2 327.472 3.337 50 0 EGAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1noc(CC(C)C)n1 ZINC000077504664 454115553 /nfs/dbraw/zinc/11/55/53/454115553.db2.gz PPOMONCOEQXBDE-INIZCTEOSA-N 2 2 331.464 3.218 50 0 EGAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1noc(CC(C)C)n1 ZINC000077504664 454115554 /nfs/dbraw/zinc/11/55/54/454115554.db2.gz PPOMONCOEQXBDE-INIZCTEOSA-N 2 2 331.464 3.218 50 0 EGAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076838 454400486 /nfs/dbraw/zinc/40/04/86/454400486.db2.gz SEULYVMTCKCLLK-CYBMUJFWSA-N 2 2 331.287 3.394 50 0 EGAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076838 454400488 /nfs/dbraw/zinc/40/04/88/454400488.db2.gz SEULYVMTCKCLLK-CYBMUJFWSA-N 2 2 331.287 3.394 50 0 EGAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076838 454400492 /nfs/dbraw/zinc/40/04/92/454400492.db2.gz SEULYVMTCKCLLK-CYBMUJFWSA-N 2 2 331.287 3.394 50 0 EGAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076838 454400495 /nfs/dbraw/zinc/40/04/95/454400495.db2.gz SEULYVMTCKCLLK-CYBMUJFWSA-N 2 2 331.287 3.394 50 0 EGAALP CC[N@H+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)no1 ZINC000299764285 456780984 /nfs/dbraw/zinc/78/09/84/456780984.db2.gz ZDEQEIHQLYENEV-BBWFWOEESA-N 2 2 326.444 3.214 50 0 EGAALP CC[N@@H+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)no1 ZINC000299764285 456780992 /nfs/dbraw/zinc/78/09/92/456780992.db2.gz ZDEQEIHQLYENEV-BBWFWOEESA-N 2 2 326.444 3.214 50 0 EGAALP CC[NH+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299764285 456780999 /nfs/dbraw/zinc/78/09/99/456780999.db2.gz ZDEQEIHQLYENEV-BBWFWOEESA-N 2 2 326.444 3.214 50 0 EGAALP CC[NH+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299764285 456781005 /nfs/dbraw/zinc/78/10/05/456781005.db2.gz ZDEQEIHQLYENEV-BBWFWOEESA-N 2 2 326.444 3.214 50 0 EGAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000585135068 459827813 /nfs/dbraw/zinc/82/78/13/459827813.db2.gz WGSTZKIDSFQUSP-HNNXBMFYSA-N 2 2 346.438 3.276 50 0 EGAALP C[NH+](C)Cc1csc(C[N@H+](C)Cc2nc3cc(F)ccc3[nH]2)c1 ZINC000215198906 536060586 /nfs/dbraw/zinc/06/05/86/536060586.db2.gz CHKNZACUPGDCDL-UHFFFAOYSA-N 2 2 332.448 3.457 50 0 EGAALP C[NH+](C)Cc1csc(C[N@@H+](C)Cc2nc3cc(F)ccc3[nH]2)c1 ZINC000215198906 536060590 /nfs/dbraw/zinc/06/05/90/536060590.db2.gz CHKNZACUPGDCDL-UHFFFAOYSA-N 2 2 332.448 3.457 50 0 EGAALP Cc1ccc([C@H]2c3[nH]c[nH+]c3CCN2CC(C)(C)C[NH+](C)C)cc1 ZINC000067673931 215178595 /nfs/dbraw/zinc/17/85/95/215178595.db2.gz SMTNSLAAEMRSAV-IBGZPJMESA-N 2 2 326.488 3.253 50 0 EGAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CCO2 ZINC000067689055 215185768 /nfs/dbraw/zinc/18/57/68/215185768.db2.gz SUYVXVHLPBSHRL-INIZCTEOSA-N 2 2 338.451 3.172 50 0 EGAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CCO2 ZINC000067689055 215185769 /nfs/dbraw/zinc/18/57/69/215185769.db2.gz SUYVXVHLPBSHRL-INIZCTEOSA-N 2 2 338.451 3.172 50 0 EGAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccc(Oc2ccccc2)cc1 ZINC000072134580 216024098 /nfs/dbraw/zinc/02/40/98/216024098.db2.gz GCXLTYGXILDPJG-UHFFFAOYSA-N 2 2 348.450 3.411 50 0 EGAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccc(Oc2ccccc2)cc1 ZINC000072134580 216024101 /nfs/dbraw/zinc/02/41/01/216024101.db2.gz GCXLTYGXILDPJG-UHFFFAOYSA-N 2 2 348.450 3.411 50 0 EGAALP CCC[C@H]1COCC[N@@H+]1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000214995928 241099988 /nfs/dbraw/zinc/09/99/88/241099988.db2.gz MIRWAYFURUSGER-IBGZPJMESA-N 2 2 332.488 3.292 50 0 EGAALP CCC[C@H]1COCC[N@H+]1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000214995928 241099991 /nfs/dbraw/zinc/09/99/91/241099991.db2.gz MIRWAYFURUSGER-IBGZPJMESA-N 2 2 332.488 3.292 50 0 EGAALP CC(C)n1cc[nH+]c1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000244716315 243067765 /nfs/dbraw/zinc/06/77/65/243067765.db2.gz LMVRBAURTIYYEI-UHFFFAOYSA-N 2 2 341.459 3.067 50 0 EGAALP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1C ZINC000011935786 211272561 /nfs/dbraw/zinc/27/25/61/211272561.db2.gz TYLLNVTXMBAADT-GOSISDBHSA-N 2 2 333.439 3.353 50 0 EGAALP Cc1ccc[nH+]c1N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091849067 218076807 /nfs/dbraw/zinc/07/68/07/218076807.db2.gz UORGXIFVWFSQOF-GOSISDBHSA-N 2 2 333.439 3.414 50 0 EGAALP CC(C)=CC[C@@]1(CO)CCCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000091985521 218098381 /nfs/dbraw/zinc/09/83/81/218098381.db2.gz DMNXXBDIAKBQSD-FQEVSTJZSA-N 2 2 340.471 3.262 50 0 EGAALP O=C(NCCCn1cc[nH+]c1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000299766134 258080890 /nfs/dbraw/zinc/08/08/90/258080890.db2.gz BCAHKHYPZIVGRU-UHFFFAOYSA-N 2 2 340.471 3.079 50 0 EGAALP CCC[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067740129 453961564 /nfs/dbraw/zinc/96/15/64/453961564.db2.gz JDTFCQSYIOCVGU-QGZVFWFLSA-N 2 2 339.487 3.081 50 0 EGAALP CC[N@@H+]1CCC[C@@H](CN(C)c2nccc(-c3ccc(C)[nH+]c3C)n2)C1 ZINC000071748805 454213176 /nfs/dbraw/zinc/21/31/76/454213176.db2.gz AJJBQAGTOBRIJQ-KRWDZBQOSA-N 2 2 339.487 3.324 50 0 EGAALP CC[N@H+]1CCC[C@@H](CN(C)c2nccc(-c3ccc(C)[nH+]c3C)n2)C1 ZINC000071748805 454213181 /nfs/dbraw/zinc/21/31/81/454213181.db2.gz AJJBQAGTOBRIJQ-KRWDZBQOSA-N 2 2 339.487 3.324 50 0 EGAALP CC1=CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2C1 ZINC000071764524 454216765 /nfs/dbraw/zinc/21/67/65/454216765.db2.gz HRUQUFPIHRGJLT-RTWAWAEBSA-N 2 2 326.484 3.307 50 0 EGAALP CC1=CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2C1 ZINC000071764524 454216772 /nfs/dbraw/zinc/21/67/72/454216772.db2.gz HRUQUFPIHRGJLT-RTWAWAEBSA-N 2 2 326.484 3.307 50 0 EGAALP CCn1cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095508586 454223401 /nfs/dbraw/zinc/22/34/01/454223401.db2.gz QRCADZOPQORHHH-HXUWFJFHSA-N 2 2 338.499 3.357 50 0 EGAALP CCn1cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095508586 454223407 /nfs/dbraw/zinc/22/34/07/454223407.db2.gz QRCADZOPQORHHH-HXUWFJFHSA-N 2 2 338.499 3.357 50 0 EGAALP CCc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000065407896 454561396 /nfs/dbraw/zinc/56/13/96/454561396.db2.gz GTDJYCBIRBSFMA-KRWDZBQOSA-N 2 2 340.471 3.186 50 0 EGAALP CCc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000065407896 454561403 /nfs/dbraw/zinc/56/14/03/454561403.db2.gz GTDJYCBIRBSFMA-KRWDZBQOSA-N 2 2 340.471 3.186 50 0 EGAALP Cc1cc[nH+]c(C[C@H](C)N(C)c2cc(C3CC[NH2+]CC3)nc(C)n2)c1 ZINC000067513817 215155779 /nfs/dbraw/zinc/15/57/79/215155779.db2.gz HODOWQCCGURFSH-HNNXBMFYSA-N 2 2 339.487 3.023 50 0 EGAALP CNc1cc[nH+]c(NCc2ccc[nH+]c2N(C)Cc2ccccc2)n1 ZINC000067868290 215235372 /nfs/dbraw/zinc/23/53/72/215235372.db2.gz SRHRSJXPGUPDFR-UHFFFAOYSA-N 2 2 334.427 3.162 50 0 EGAALP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000187760512 236293212 /nfs/dbraw/zinc/29/32/12/236293212.db2.gz XJHZDMIGOLFKPU-HXUWFJFHSA-N 2 2 338.499 3.168 50 0 EGAALP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(-c2cccs2)nc1 ZINC000216313596 241182857 /nfs/dbraw/zinc/18/28/57/241182857.db2.gz HDAGGQMJMWLBBX-UHFFFAOYSA-N 2 2 327.457 3.003 50 0 EGAALP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(-c2cccs2)nc1 ZINC000216313596 241182864 /nfs/dbraw/zinc/18/28/64/241182864.db2.gz HDAGGQMJMWLBBX-UHFFFAOYSA-N 2 2 327.457 3.003 50 0 EGAALP Clc1cnn(CC[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000244708350 243064772 /nfs/dbraw/zinc/06/47/72/243064772.db2.gz KSBCPIVOILVSEA-CQSZACIVSA-N 2 2 343.862 3.368 50 0 EGAALP Clc1cnn(CC[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000244708350 243064778 /nfs/dbraw/zinc/06/47/78/243064778.db2.gz KSBCPIVOILVSEA-CQSZACIVSA-N 2 2 343.862 3.368 50 0 EGAALP CCn1ccnc1C[N@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000011819136 211252665 /nfs/dbraw/zinc/25/26/65/211252665.db2.gz ZFGYZZZMSGJZJE-FQEVSTJZSA-N 2 2 340.515 3.290 50 0 EGAALP CCn1ccnc1C[N@@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000011819136 211252667 /nfs/dbraw/zinc/25/26/67/211252667.db2.gz ZFGYZZZMSGJZJE-FQEVSTJZSA-N 2 2 340.515 3.290 50 0 EGAALP CCn1ccnc1C[NH+](CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000011819136 211252669 /nfs/dbraw/zinc/25/26/69/211252669.db2.gz ZFGYZZZMSGJZJE-FQEVSTJZSA-N 2 2 340.515 3.290 50 0 EGAALP CCn1ccnc1C[NH+](CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000011819136 211252672 /nfs/dbraw/zinc/25/26/72/211252672.db2.gz ZFGYZZZMSGJZJE-FQEVSTJZSA-N 2 2 340.515 3.290 50 0 EGAALP CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)C2 ZINC000091873217 218082173 /nfs/dbraw/zinc/08/21/73/218082173.db2.gz FBWODYJRYZZCII-CRAIPNDOSA-N 2 2 338.455 3.023 50 0 EGAALP CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)C2 ZINC000091873217 218082175 /nfs/dbraw/zinc/08/21/75/218082175.db2.gz FBWODYJRYZZCII-CRAIPNDOSA-N 2 2 338.455 3.023 50 0 EGAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095367743 218299833 /nfs/dbraw/zinc/29/98/33/218299833.db2.gz BCEUICNOLSIMBB-IBGZPJMESA-N 3 2 341.503 3.458 50 0 EGAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095367743 218299835 /nfs/dbraw/zinc/29/98/35/218299835.db2.gz BCEUICNOLSIMBB-IBGZPJMESA-N 3 2 341.503 3.458 50 0 EGAALP Cc1cc(C)c2[nH]c(C)c(C[N@@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008714108 453226188 /nfs/dbraw/zinc/22/61/88/453226188.db2.gz FOERBJGOIQSZHA-UHFFFAOYSA-N 2 2 327.472 3.392 50 0 EGAALP Cc1cc(C)c2[nH]c(C)c(C[N@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008714108 453226194 /nfs/dbraw/zinc/22/61/94/453226194.db2.gz FOERBJGOIQSZHA-UHFFFAOYSA-N 2 2 327.472 3.392 50 0 EGAALP CCCC[C@H]1C(=O)N(C)CC[N@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077484987 454111311 /nfs/dbraw/zinc/11/13/11/454111311.db2.gz LDVIAMUARCTPPK-SFHVURJKSA-N 2 2 349.544 3.177 50 0 EGAALP CCCC[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077484987 454111314 /nfs/dbraw/zinc/11/13/14/454111314.db2.gz LDVIAMUARCTPPK-SFHVURJKSA-N 2 2 349.544 3.177 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]1 ZINC000097200858 454423108 /nfs/dbraw/zinc/42/31/08/454423108.db2.gz KYFAKGVWTUECRJ-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]1 ZINC000097200858 454423114 /nfs/dbraw/zinc/42/31/14/454423114.db2.gz KYFAKGVWTUECRJ-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000097200804 454423452 /nfs/dbraw/zinc/42/34/52/454423452.db2.gz XLBYFXBYBWCJLY-UONOGXRCSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000097200804 454423459 /nfs/dbraw/zinc/42/34/59/454423459.db2.gz XLBYFXBYBWCJLY-UONOGXRCSA-N 2 2 327.432 3.145 50 0 EGAALP C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1[nH]cc[nH+]1)c1cccs1 ZINC000097815229 454446101 /nfs/dbraw/zinc/44/61/01/454446101.db2.gz TVYDAPLYLZEWIX-HNNXBMFYSA-N 2 2 340.452 3.171 50 0 EGAALP CC(C)Cn1c[nH+]cc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000426531100 457851458 /nfs/dbraw/zinc/85/14/58/457851458.db2.gz ZTLOBHCTNRWIGP-UHFFFAOYSA-N 2 2 340.471 3.065 50 0 EGAALP c1cc(C[N@@H+]2CCO[C@H](c3cccnc3)C2)sc1C[NH+]1CCCC1 ZINC000097675393 219047060 /nfs/dbraw/zinc/04/70/60/219047060.db2.gz JFXLLRXPJQWDHY-IBGZPJMESA-N 2 2 343.496 3.312 50 0 EGAALP c1cc(C[N@H+]2CCO[C@H](c3cccnc3)C2)sc1C[NH+]1CCCC1 ZINC000097675393 219047061 /nfs/dbraw/zinc/04/70/61/219047061.db2.gz JFXLLRXPJQWDHY-IBGZPJMESA-N 2 2 343.496 3.312 50 0 EGAALP COc1ccc(-c2nc(C[N@H+](C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c(F)c1 ZINC000067855480 215232896 /nfs/dbraw/zinc/23/28/96/215232896.db2.gz DHYPTIUENCQXOQ-CQSZACIVSA-N 2 2 347.434 3.229 50 0 EGAALP COc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c(F)c1 ZINC000067855480 215232899 /nfs/dbraw/zinc/23/28/99/215232899.db2.gz DHYPTIUENCQXOQ-CQSZACIVSA-N 2 2 347.434 3.229 50 0 EGAALP Cc1c[nH+]ccc1NCCn1cc[nH+]c1-c1cc2c(cc1C)OCO2 ZINC000072122429 216014908 /nfs/dbraw/zinc/01/49/08/216014908.db2.gz WGKHFRXCHKKKPE-UHFFFAOYSA-N 2 2 336.395 3.403 50 0 EGAALP COc1cc(F)c(C[N@H+](C)C[C@H]2CCC[NH+](C(C)C)C2)cc1OC ZINC000072168357 216059844 /nfs/dbraw/zinc/05/98/44/216059844.db2.gz OAVNGFOSMVGMPT-OAHLLOKOSA-N 2 2 338.467 3.395 50 0 EGAALP COc1cc(F)c(C[N@@H+](C)C[C@H]2CCC[NH+](C(C)C)C2)cc1OC ZINC000072168357 216059845 /nfs/dbraw/zinc/05/98/45/216059845.db2.gz OAVNGFOSMVGMPT-OAHLLOKOSA-N 2 2 338.467 3.395 50 0 EGAALP COc1cc(F)c(C[NH+](C)C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000072168357 216059850 /nfs/dbraw/zinc/05/98/50/216059850.db2.gz OAVNGFOSMVGMPT-OAHLLOKOSA-N 2 2 338.467 3.395 50 0 EGAALP COc1cc(F)c(C[NH+](C)C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000072168357 216059854 /nfs/dbraw/zinc/05/98/54/216059854.db2.gz OAVNGFOSMVGMPT-OAHLLOKOSA-N 2 2 338.467 3.395 50 0 EGAALP CCn1cc[nH+]c1CN(C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000022910573 212332991 /nfs/dbraw/zinc/33/29/91/212332991.db2.gz HKOGFGVAPZGRHS-FQEVSTJZSA-N 2 2 340.515 3.432 50 0 EGAALP CCn1cc[nH+]c1CN(C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000022910573 212332992 /nfs/dbraw/zinc/33/29/92/212332992.db2.gz HKOGFGVAPZGRHS-FQEVSTJZSA-N 2 2 340.515 3.432 50 0 EGAALP Cc1ccc(-c2ccccc2C[N@H+]2CCC[C@@](CO)(C[NH+](C)C)C2)o1 ZINC000216522054 241197330 /nfs/dbraw/zinc/19/73/30/241197330.db2.gz XHOJWBJRNZZGMB-OAQYLSRUSA-N 2 2 342.483 3.391 50 0 EGAALP Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@](CO)(C[NH+](C)C)C2)o1 ZINC000216522054 241197337 /nfs/dbraw/zinc/19/73/37/241197337.db2.gz XHOJWBJRNZZGMB-OAQYLSRUSA-N 2 2 342.483 3.391 50 0 EGAALP CCCn1cc[nH+]c1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000215563488 241130968 /nfs/dbraw/zinc/13/09/68/241130968.db2.gz ACQJSFZRPAPDKD-LJQANCHMSA-N 2 2 326.488 3.247 50 0 EGAALP CCCn1cc[nH+]c1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215563488 241130969 /nfs/dbraw/zinc/13/09/69/241130969.db2.gz ACQJSFZRPAPDKD-LJQANCHMSA-N 2 2 326.488 3.247 50 0 EGAALP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244659684 243050266 /nfs/dbraw/zinc/05/02/66/243050266.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 2 2 331.851 3.286 50 0 EGAALP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244659684 243050271 /nfs/dbraw/zinc/05/02/71/243050271.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 2 2 331.851 3.286 50 0 EGAALP Cc1ccc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)[nH+]c1 ZINC000091526268 218018322 /nfs/dbraw/zinc/01/83/22/218018322.db2.gz BTUGNQOTIGNLJG-UHFFFAOYSA-N 2 2 333.439 3.414 50 0 EGAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095392010 218323743 /nfs/dbraw/zinc/32/37/43/218323743.db2.gz QSOFOPFASJUDCF-VQTJNVASSA-N 2 2 338.499 3.390 50 0 EGAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095392010 218323745 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Cc1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)on1 ZINC000095508596 454224382 /nfs/dbraw/zinc/22/43/82/454224382.db2.gz ICTUZAAIESZNSY-LJQANCHMSA-N 2 2 327.472 3.370 50 0 EGAALP Cc1cc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)on1 ZINC000095508596 454224387 /nfs/dbraw/zinc/22/43/87/454224387.db2.gz ICTUZAAIESZNSY-LJQANCHMSA-N 2 2 327.472 3.370 50 0 EGAALP Cc1cc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)on1 ZINC000095508596 454224394 /nfs/dbraw/zinc/22/43/94/454224394.db2.gz ICTUZAAIESZNSY-LJQANCHMSA-N 2 2 327.472 3.370 50 0 EGAALP CC[N@@H+]1CCC[C@H](c2cn(Cc3[nH]c4cc(C)c(C)cc4[nH+]3)nn2)C1 ZINC000091270607 454420269 /nfs/dbraw/zinc/42/02/69/454420269.db2.gz PVQPZZKRZCDFDT-HNNXBMFYSA-N 2 2 338.459 3.019 50 0 EGAALP CC[N@H+]1CCC[C@H](c2cn(Cc3[nH]c4cc(C)c(C)cc4[nH+]3)nn2)C1 ZINC000091270607 454420277 /nfs/dbraw/zinc/42/02/77/454420277.db2.gz PVQPZZKRZCDFDT-HNNXBMFYSA-N 2 2 338.459 3.019 50 0 EGAALP CC(C)n1cnnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000065458724 454570948 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Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000097200586 201383024 /nfs/dbraw/zinc/38/30/24/201383024.db2.gz FVQBAXRCNPUZBP-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000097200586 201383027 /nfs/dbraw/zinc/38/30/27/201383027.db2.gz FVQBAXRCNPUZBP-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000072167495 203179917 /nfs/dbraw/zinc/17/99/17/203179917.db2.gz XOHBYYZSJKQQCA-AWEZNQCLSA-N 2 2 333.863 3.098 50 0 EGAALP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000072167495 203179919 /nfs/dbraw/zinc/17/99/19/203179919.db2.gz XOHBYYZSJKQQCA-AWEZNQCLSA-N 2 2 333.863 3.098 50 0 EGAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000077454680 203389501 /nfs/dbraw/zinc/38/95/01/203389501.db2.gz SKTNCTRNRNTPOB-KRWDZBQOSA-N 2 2 342.405 3.128 50 0 EGAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000077454680 203389503 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Cc1[nH]c2ccc(NC(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000096162801 454295686 /nfs/dbraw/zinc/29/56/86/454295686.db2.gz RYGBFUKIRZCHGK-UHFFFAOYSA-N 2 2 349.438 3.051 50 0 EGAALP Cc1[nH]c2ccc(NC(=O)NCC[N@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000096162801 454295691 /nfs/dbraw/zinc/29/56/91/454295691.db2.gz RYGBFUKIRZCHGK-UHFFFAOYSA-N 2 2 349.438 3.051 50 0 EGAALP CCOc1cc(C)c(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1C(C)C ZINC000072436276 454295937 /nfs/dbraw/zinc/29/59/37/454295937.db2.gz IHOXWBYPHWEJRV-NRFANRHFSA-N 2 2 348.531 3.406 50 0 EGAALP CCOc1cc(C)c(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1C(C)C ZINC000072436276 454295940 /nfs/dbraw/zinc/29/59/40/454295940.db2.gz IHOXWBYPHWEJRV-NRFANRHFSA-N 2 2 348.531 3.406 50 0 EGAALP Fc1cccc(-c2n[nH]cc2C[NH+]2CCC(Cn3cc[nH+]c3)CC2)c1 ZINC000097425193 454436362 /nfs/dbraw/zinc/43/63/62/454436362.db2.gz BQVHHKJMEDVIQG-UHFFFAOYSA-N 2 2 339.418 3.325 50 0 EGAALP Fc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091486494 454442155 /nfs/dbraw/zinc/44/21/55/454442155.db2.gz HDOBVIGALMCPGS-MRXNPFEDSA-N 2 2 337.402 3.245 50 0 EGAALP CCn1ncnc1C[N@@H+]1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215079573 456025634 /nfs/dbraw/zinc/02/56/34/456025634.db2.gz ACIVQVLXTCMBNO-SFHVURJKSA-N 2 2 327.476 3.087 50 0 EGAALP CCn1ncnc1C[N@H+]1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215079573 456025640 /nfs/dbraw/zinc/02/56/40/456025640.db2.gz ACIVQVLXTCMBNO-SFHVURJKSA-N 2 2 327.476 3.087 50 0 EGAALP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000637952281 461147892 /nfs/dbraw/zinc/14/78/92/461147892.db2.gz MLLZOHIPHHUNOH-LBPRGKRZSA-N 2 2 335.835 3.460 50 0 EGAALP COc1cc(Cl)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000637952281 461147895 /nfs/dbraw/zinc/14/78/95/461147895.db2.gz MLLZOHIPHHUNOH-LBPRGKRZSA-N 2 2 335.835 3.460 50 0 EGAALP Cc1nnc([C@H]2CCC[N@@H+]2Cc2cc(C[NH+]3CCCCC3)cs2)[nH]1 ZINC000097696309 219048667 /nfs/dbraw/zinc/04/86/67/219048667.db2.gz USLDWVGQLKEATC-QGZVFWFLSA-N 2 2 345.516 3.498 50 0 EGAALP Cc1nnc([C@H]2CCC[N@H+]2Cc2cc(C[NH+]3CCCCC3)cs2)[nH]1 ZINC000097696309 219048669 /nfs/dbraw/zinc/04/86/69/219048669.db2.gz USLDWVGQLKEATC-QGZVFWFLSA-N 2 2 345.516 3.498 50 0 EGAALP COc1ccc(C[N@H+](C)Cc2cc(C)no2)cc1C[NH+]1CCCC1 ZINC000214971681 241100823 /nfs/dbraw/zinc/10/08/23/241100823.db2.gz SMHRYWFNVAYZRX-UHFFFAOYSA-N 2 2 329.444 3.219 50 0 EGAALP COc1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1C[NH+]1CCCC1 ZINC000214971681 241100825 /nfs/dbraw/zinc/10/08/25/241100825.db2.gz SMHRYWFNVAYZRX-UHFFFAOYSA-N 2 2 329.444 3.219 50 0 EGAALP COCC[NH+]1CCC(c2[nH+]ccn2-c2cnc3ccccc3c2)CC1 ZINC000072157763 203175939 /nfs/dbraw/zinc/17/59/39/203175939.db2.gz MFIVPRSHKFMOOK-UHFFFAOYSA-N 2 2 336.439 3.246 50 0 EGAALP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000072163705 203177433 /nfs/dbraw/zinc/17/74/33/203177433.db2.gz LYTBYVSZYIQYIQ-INIZCTEOSA-N 2 2 349.482 3.479 50 0 EGAALP CN(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000072163705 203177435 /nfs/dbraw/zinc/17/74/35/203177435.db2.gz LYTBYVSZYIQYIQ-INIZCTEOSA-N 2 2 349.482 3.479 50 0 EGAALP COc1ccc(F)c(F)c1C[NH+]1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000072463698 203229764 /nfs/dbraw/zinc/22/97/64/203229764.db2.gz PIDZWKAZLGGTJD-UHFFFAOYSA-N 2 2 347.409 3.307 50 0 EGAALP COc1ccc(OC)c(C[NH+]2CCC([N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000004745652 452817188 /nfs/dbraw/zinc/81/71/88/452817188.db2.gz FJQPONIXXJOYOL-INIZCTEOSA-N 2 2 332.488 3.400 50 0 EGAALP COc1ccc(OC)c(C[NH+]2CCC([N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000004745652 452817192 /nfs/dbraw/zinc/81/71/92/452817192.db2.gz FJQPONIXXJOYOL-INIZCTEOSA-N 2 2 332.488 3.400 50 0 EGAALP Cc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2CC(C)(C)C[NH+](C)C)cc1 ZINC000067673930 453955269 /nfs/dbraw/zinc/95/52/69/453955269.db2.gz SMTNSLAAEMRSAV-LJQANCHMSA-N 2 2 326.488 3.253 50 0 EGAALP CCc1c[nH+]c(N)nc1NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000095382781 454200493 /nfs/dbraw/zinc/20/04/93/454200493.db2.gz UHDGZBCJDJAXSU-KRWDZBQOSA-N 2 2 325.460 3.260 50 0 EGAALP C[NH2+]Cc1nnc(NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)o1 ZINC001772708749 1441417176 /nfs/dbraw/zinc/41/71/76/1441417176.db2.gz JIMVRDMARNNMKW-OAHLLOKOSA-N 2 2 349.866 3.082 50 0 EGAALP COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)cc1C ZINC000067472641 215150946 /nfs/dbraw/zinc/15/09/46/215150946.db2.gz KDFATRGVFVRQMM-MRXNPFEDSA-N 2 2 343.471 3.446 50 0 EGAALP COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)cc1C ZINC000067472641 215150949 /nfs/dbraw/zinc/15/09/49/215150949.db2.gz KDFATRGVFVRQMM-MRXNPFEDSA-N 2 2 343.471 3.446 50 0 EGAALP CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077319833 203379963 /nfs/dbraw/zinc/37/99/63/203379963.db2.gz GBEKCHPROBFHLM-SFHVURJKSA-N 2 2 327.428 3.180 50 0 EGAALP CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077319833 203379967 /nfs/dbraw/zinc/37/99/67/203379967.db2.gz GBEKCHPROBFHLM-SFHVURJKSA-N 2 2 327.428 3.180 50 0 EGAALP CCCCc1ncc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)[nH]1 ZINC000077504942 203392345 /nfs/dbraw/zinc/39/23/45/203392345.db2.gz CCYWEJUJUPNJSY-UHFFFAOYSA-N 2 2 327.476 3.168 50 0 EGAALP CCCCc1ncc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)[nH]1 ZINC000077504942 203392348 /nfs/dbraw/zinc/39/23/48/203392348.db2.gz CCYWEJUJUPNJSY-UHFFFAOYSA-N 2 2 327.476 3.168 50 0 EGAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000095374594 218308247 /nfs/dbraw/zinc/30/82/47/218308247.db2.gz QDCQGXVDEXDPAF-GOSISDBHSA-N 3 2 349.482 3.377 50 0 EGAALP C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000095374594 218308249 /nfs/dbraw/zinc/30/82/49/218308249.db2.gz QDCQGXVDEXDPAF-GOSISDBHSA-N 2 2 349.482 3.377 50 0 EGAALP c1cc(OC2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000299788909 258094853 /nfs/dbraw/zinc/09/48/53/258094853.db2.gz XAZPHYKHNUXXTE-FXAWDEMLSA-N 3 2 329.488 3.189 50 0 EGAALP c1cc(OC2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000299788909 258094854 /nfs/dbraw/zinc/09/48/54/258094854.db2.gz XAZPHYKHNUXXTE-FXAWDEMLSA-N 3 2 329.488 3.189 50 0 EGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000082107312 288681475 /nfs/dbraw/zinc/68/14/75/288681475.db2.gz REDAXIFXJHZJEL-UHFFFAOYSA-N 2 2 331.508 3.016 50 0 EGAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](C2CC[NH2+]CC2)CCO3)s1 ZINC000067770859 453965591 /nfs/dbraw/zinc/96/55/91/453965591.db2.gz NBWZLRLCXCKYGR-UHFFFAOYSA-N 2 2 344.480 3.376 50 0 EGAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](C2CC[NH2+]CC2)CCO3)s1 ZINC000067770859 453965596 /nfs/dbraw/zinc/96/55/96/453965596.db2.gz NBWZLRLCXCKYGR-UHFFFAOYSA-N 2 2 344.480 3.376 50 0 EGAALP CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095375361 454198783 /nfs/dbraw/zinc/19/87/83/454198783.db2.gz IOJJEDNWFSPMLS-KRWDZBQOSA-N 2 2 346.519 3.264 50 0 EGAALP CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095375361 454198792 /nfs/dbraw/zinc/19/87/92/454198792.db2.gz IOJJEDNWFSPMLS-KRWDZBQOSA-N 2 2 346.519 3.264 50 0 EGAALP CCCCn1cc[nH+]c1C1CC[NH+](Cc2[nH]cc(C)c(=O)c2C)CC1 ZINC000091468341 454438831 /nfs/dbraw/zinc/43/88/31/454438831.db2.gz BCUUMJTUURZEEH-UHFFFAOYSA-N 2 2 342.487 3.368 50 0 EGAALP CC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n(C)c1 ZINC000215109044 534817988 /nfs/dbraw/zinc/81/79/88/534817988.db2.gz QUEOADAOYAJYBV-SFHVURJKSA-N 2 2 328.460 3.177 50 0 EGAALP CC(=O)c1cc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n(C)c1 ZINC000215109044 534817997 /nfs/dbraw/zinc/81/79/97/534817997.db2.gz QUEOADAOYAJYBV-SFHVURJKSA-N 2 2 328.460 3.177 50 0 EGAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(-c2ccccc2)nc2ncccn21 ZINC000952870316 1334583811 /nfs/dbraw/zinc/58/38/11/1334583811.db2.gz VTGWKUBYXFHNGO-KRWDZBQOSA-N 2 2 346.438 3.161 50 0 EGAALP Cc1c[nH+]c(NC[C@@H]2CCC[N@@H+](C3CCCCC3)C2)nc1N(C)C ZINC001704316290 1416440277 /nfs/dbraw/zinc/44/02/77/1416440277.db2.gz XMOIDFUTCAYNHA-INIZCTEOSA-N 2 2 331.508 3.308 50 0 EGAALP Cc1c[nH+]c(NC[C@@H]2CCC[N@H+](C3CCCCC3)C2)nc1N(C)C ZINC001704316290 1416440279 /nfs/dbraw/zinc/44/02/79/1416440279.db2.gz XMOIDFUTCAYNHA-INIZCTEOSA-N 2 2 331.508 3.308 50 0 EGAALP Cc1c[nH+]c(NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)nc1N(C)C ZINC001704353370 1416453894 /nfs/dbraw/zinc/45/38/94/1416453894.db2.gz UWYWWUFBIUTGQP-KRWDZBQOSA-N 2 2 331.508 3.450 50 0 EGAALP Cc1c[nH+]c(NCC[C@@H]2CCCC[N@H+]2C2CCCC2)nc1N(C)C ZINC001704353370 1416453896 /nfs/dbraw/zinc/45/38/96/1416453896.db2.gz UWYWWUFBIUTGQP-KRWDZBQOSA-N 2 2 331.508 3.450 50 0 EGAALP CCOc1cc(C[N@@H+]2C[C@@H]3C[C@]3(C)C2)ccc1OCCn1cc[nH+]c1 ZINC001772808246 1441417359 /nfs/dbraw/zinc/41/73/59/1441417359.db2.gz KFSIFLJRXDQRSL-FXAWDEMLSA-N 2 2 341.455 3.203 50 0 EGAALP CCOc1cc(C[N@H+]2C[C@@H]3C[C@]3(C)C2)ccc1OCCn1cc[nH+]c1 ZINC001772808246 1441417360 /nfs/dbraw/zinc/41/73/60/1441417360.db2.gz KFSIFLJRXDQRSL-FXAWDEMLSA-N 2 2 341.455 3.203 50 0 EGAALP Cc1[nH+]ccn1-c1ccc(CNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(C)n2)cc1 ZINC000244678684 243056590 /nfs/dbraw/zinc/05/65/90/243056590.db2.gz IIHIXTRBBILTKW-MAEOIBBWSA-N 2 2 349.438 3.130 50 0 EGAALP c1cn(CC2CC[NH+](Cc3ccccc3)CC2)c([C@H]2CCOC2)[nH+]1 ZINC000072148110 203171612 /nfs/dbraw/zinc/17/16/12/203171612.db2.gz FUPFPZXCZYOHRX-IBGZPJMESA-N 2 2 325.456 3.299 50 0 EGAALP CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072165563 203179335 /nfs/dbraw/zinc/17/93/35/203179335.db2.gz VJJZKKMEECNWMC-INIZCTEOSA-N 2 2 342.487 3.102 50 0 EGAALP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067740436 453961438 /nfs/dbraw/zinc/96/14/38/453961438.db2.gz YHTYPRMBQUPQAS-MRXNPFEDSA-N 2 2 343.471 3.446 50 0 EGAALP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067740436 453961440 /nfs/dbraw/zinc/96/14/40/453961440.db2.gz YHTYPRMBQUPQAS-MRXNPFEDSA-N 2 2 343.471 3.446 50 0 EGAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095375360 454198970 /nfs/dbraw/zinc/19/89/70/454198970.db2.gz IOJJEDNWFSPMLS-QGZVFWFLSA-N 2 2 346.519 3.264 50 0 EGAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095375360 454198973 /nfs/dbraw/zinc/19/89/73/454198973.db2.gz IOJJEDNWFSPMLS-QGZVFWFLSA-N 2 2 346.519 3.264 50 0 EGAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000091965339 454497690 /nfs/dbraw/zinc/49/76/90/454497690.db2.gz CGVLYDTVEDGRMT-NTPDMAOXSA-N 2 2 325.456 3.422 50 0 EGAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000091965339 454497694 /nfs/dbraw/zinc/49/76/94/454497694.db2.gz CGVLYDTVEDGRMT-NTPDMAOXSA-N 2 2 325.456 3.422 50 0 EGAALP CC(C)=CC[C@]1(CO)CCCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000091985520 454500561 /nfs/dbraw/zinc/50/05/61/454500561.db2.gz DMNXXBDIAKBQSD-HXUWFJFHSA-N 2 2 340.471 3.262 50 0 EGAALP C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000216246126 535975912 /nfs/dbraw/zinc/97/59/12/535975912.db2.gz DVYNXEHBTIQPPZ-GOSISDBHSA-N 2 2 338.517 3.203 50 0 EGAALP C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000216246126 535975918 /nfs/dbraw/zinc/97/59/18/535975918.db2.gz DVYNXEHBTIQPPZ-GOSISDBHSA-N 2 2 338.517 3.203 50 0 EGAALP Cc1[nH]c(CN(CC[NH+](C)C)C(=O)c2ccc(C(C)(C)C)cc2)c[nH+]1 ZINC001704316682 1416440649 /nfs/dbraw/zinc/44/06/49/1416440649.db2.gz ZZVUTLYXYVWTAM-UHFFFAOYSA-N 2 2 342.487 3.220 50 0 EGAALP Cc1[nH]cc(CN(CC[NH+](C)C)C(=O)c2ccc(C(C)(C)C)cc2)[nH+]1 ZINC001704316682 1416440650 /nfs/dbraw/zinc/44/06/50/1416440650.db2.gz ZZVUTLYXYVWTAM-UHFFFAOYSA-N 2 2 342.487 3.220 50 0 EGAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001704325880 1416444517 /nfs/dbraw/zinc/44/45/17/1416444517.db2.gz VUUNRNVEWSXHCT-UHFFFAOYSA-N 2 2 342.487 3.220 50 0 EGAALP CC(C)Cn1c[nH+]cc1C[N@@H+]1CCC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000072162638 203178228 /nfs/dbraw/zinc/17/82/28/203178228.db2.gz FVWCATHFIVTEMQ-FQEVSTJZSA-N 2 2 338.455 3.025 50 0 EGAALP CC(C)Cn1c[nH+]cc1C[N@H+]1CCC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000072162638 203178230 /nfs/dbraw/zinc/17/82/30/203178230.db2.gz FVWCATHFIVTEMQ-FQEVSTJZSA-N 2 2 338.455 3.025 50 0 EGAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072166956 203178549 /nfs/dbraw/zinc/17/85/49/203178549.db2.gz FBAQWZOTWWTGKS-KRWDZBQOSA-N 2 2 327.407 3.434 50 0 EGAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072166956 203178552 /nfs/dbraw/zinc/17/85/52/203178552.db2.gz FBAQWZOTWWTGKS-KRWDZBQOSA-N 2 2 327.407 3.434 50 0 EGAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072166956 203178555 /nfs/dbraw/zinc/17/85/55/203178555.db2.gz FBAQWZOTWWTGKS-KRWDZBQOSA-N 2 2 327.407 3.434 50 0 EGAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072166956 203178558 /nfs/dbraw/zinc/17/85/58/203178558.db2.gz FBAQWZOTWWTGKS-KRWDZBQOSA-N 2 2 327.407 3.434 50 0 EGAALP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C[NH+](C)C)C3)o2)cc1Cl ZINC000072435854 203224817 /nfs/dbraw/zinc/22/48/17/203224817.db2.gz UXJKHAABGBXQRO-LJQANCHMSA-N 2 2 348.874 3.407 50 0 EGAALP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@](O)(C[NH+](C)C)C3)o2)cc1Cl ZINC000072435854 203224821 /nfs/dbraw/zinc/22/48/21/203224821.db2.gz UXJKHAABGBXQRO-LJQANCHMSA-N 2 2 348.874 3.407 50 0 EGAALP C[C@@H](C1CC[NH+](Cc2ccc(F)c(F)c2F)CC1)[NH+]1CCOCC1 ZINC000072473010 203230160 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ZINC000097717310 454445119 /nfs/dbraw/zinc/44/51/19/454445119.db2.gz UNWLLELDNXXLRV-UHFFFAOYSA-N 2 2 346.438 3.033 50 0 EGAALP Cc1nc(NC2CC[NH+](Cc3cccc(O)c3)CC2)c(C)c(C)[nH+]1 ZINC000091625877 454450924 /nfs/dbraw/zinc/45/09/24/454450924.db2.gz CNCYGBMAUQBSKW-UHFFFAOYSA-N 2 2 326.444 3.184 50 0 EGAALP Cc1nc(NC[C@H](c2cccnc2)[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000825269838 1320322805 /nfs/dbraw/zinc/32/28/05/1320322805.db2.gz GELIQORUHZTCSF-GOSISDBHSA-N 2 2 325.460 3.436 50 0 EGAALP Cc1ccc(Cn2c3ccccc3nc2C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000067740319 215199451 /nfs/dbraw/zinc/19/94/51/215199451.db2.gz IFGYKZXTTDZQAY-SFHVURJKSA-N 2 2 334.467 3.174 50 0 EGAALP Cc1ccc(Cn2c3ccccc3nc2C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000067740319 215199453 /nfs/dbraw/zinc/19/94/53/215199453.db2.gz IFGYKZXTTDZQAY-SFHVURJKSA-N 2 2 334.467 3.174 50 0 EGAALP O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000067817341 215220653 /nfs/dbraw/zinc/22/06/53/215220653.db2.gz PDDYYZZCYQATJE-SFHVURJKSA-N 2 2 346.434 3.362 50 0 EGAALP O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000067817341 215220657 /nfs/dbraw/zinc/22/06/57/215220657.db2.gz PDDYYZZCYQATJE-SFHVURJKSA-N 2 2 346.434 3.362 50 0 EGAALP Clc1cccnc1N1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000072146537 216033228 /nfs/dbraw/zinc/03/32/28/216033228.db2.gz RDXRERMVVUAJND-FUHWJXTLSA-N 2 2 348.922 3.122 50 0 EGAALP Clc1cccnc1N1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000072146537 216033231 /nfs/dbraw/zinc/03/32/31/216033231.db2.gz RDXRERMVVUAJND-FUHWJXTLSA-N 2 2 348.922 3.122 50 0 EGAALP CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000072163704 216051818 /nfs/dbraw/zinc/05/18/18/216051818.db2.gz LYTBYVSZYIQYIQ-MRXNPFEDSA-N 2 2 349.482 3.479 50 0 EGAALP CN(C)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cn1 ZINC000072163704 216051821 /nfs/dbraw/zinc/05/18/21/216051821.db2.gz LYTBYVSZYIQYIQ-MRXNPFEDSA-N 2 2 349.482 3.479 50 0 EGAALP COc1ccc2[nH]nc(C[NH+]3CCC([C@@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436383 216231053 /nfs/dbraw/zinc/23/10/53/216231053.db2.gz KNDCWBBGSWBFCA-OAHLLOKOSA-N 2 2 342.487 3.268 50 0 EGAALP Cc1[nH+]cc(C[N@@H+]2CCO[C@@H](Cc3cccc4ccccc43)C2)n1C ZINC000011936045 211272167 /nfs/dbraw/zinc/27/21/67/211272167.db2.gz REJCDSHHAXUDDV-FQEVSTJZSA-N 2 2 335.451 3.325 50 0 EGAALP Cc1[nH+]cc(C[N@H+]2CCO[C@@H](Cc3cccc4ccccc43)C2)n1C ZINC000011936045 211272172 /nfs/dbraw/zinc/27/21/72/211272172.db2.gz REJCDSHHAXUDDV-FQEVSTJZSA-N 2 2 335.451 3.325 50 0 EGAALP Cc1ccc[nH+]c1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095377053 218310236 /nfs/dbraw/zinc/31/02/36/218310236.db2.gz PEXHRNGIQPTRIM-QGZVFWFLSA-N 2 2 333.439 3.414 50 0 EGAALP CCCOc1cc(Cl)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1OC ZINC000097301474 219011286 /nfs/dbraw/zinc/01/12/86/219011286.db2.gz RKFBGRLSYOEWDW-AWEZNQCLSA-N 2 2 326.868 3.451 50 0 EGAALP CCCOc1cc(Cl)c(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1OC ZINC000097301474 219011288 /nfs/dbraw/zinc/01/12/88/219011288.db2.gz RKFBGRLSYOEWDW-AWEZNQCLSA-N 2 2 326.868 3.451 50 0 EGAALP CCOc1ccc([C@H]2C[C@@H](c3ccccc3C)N3[NH+]=C(N)NC3=[NH+]2)cc1 ZINC000013131748 453446268 /nfs/dbraw/zinc/44/62/68/453446268.db2.gz LPZPNYHQOPXYFG-MSOLQXFVSA-N 2 2 349.438 3.071 50 0 EGAALP CCc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(N2CCCCC2)[nH+]1 ZINC000077320916 454091236 /nfs/dbraw/zinc/09/12/36/454091236.db2.gz CIBWBFQGJNFNTK-HNNXBMFYSA-N 2 2 340.475 3.136 50 0 EGAALP Cc1ccc(-c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)c(C)[nH+]1 ZINC000426628788 457866261 /nfs/dbraw/zinc/86/62/61/457866261.db2.gz PZBXKOVUKTYNPB-UHFFFAOYSA-N 2 2 334.423 3.382 50 0 EGAALP CCc1[nH+]ccn1C[C@H](C)[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000823557061 1320186616 /nfs/dbraw/zinc/18/66/16/1320186616.db2.gz ARTKAAHUNUBAAR-HNNXBMFYSA-N 2 2 347.890 3.471 50 0 EGAALP c1cc(C[N@@H+]2CCO[C@@H](c3cccnc3)C2)sc1C[NH+]1CCCC1 ZINC000097675395 219047217 /nfs/dbraw/zinc/04/72/17/219047217.db2.gz JFXLLRXPJQWDHY-LJQANCHMSA-N 2 2 343.496 3.312 50 0 EGAALP c1cc(C[N@H+]2CCO[C@@H](c3cccnc3)C2)sc1C[NH+]1CCCC1 ZINC000097675395 219047218 /nfs/dbraw/zinc/04/72/18/219047218.db2.gz JFXLLRXPJQWDHY-LJQANCHMSA-N 2 2 343.496 3.312 50 0 EGAALP CCCCOc1ccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)cc1 ZINC000004140309 210130484 /nfs/dbraw/zinc/13/04/84/210130484.db2.gz XNMRIEZMIYTDHV-UHFFFAOYSA-N 2 2 329.448 3.212 50 0 EGAALP O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000067817340 215219970 /nfs/dbraw/zinc/21/99/70/215219970.db2.gz PDDYYZZCYQATJE-GOSISDBHSA-N 2 2 346.434 3.362 50 0 EGAALP O=C(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000067817340 215219973 /nfs/dbraw/zinc/21/99/73/215219973.db2.gz PDDYYZZCYQATJE-GOSISDBHSA-N 2 2 346.434 3.362 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000072407152 216198704 /nfs/dbraw/zinc/19/87/04/216198704.db2.gz OEGHRTFGFUAUPL-MRXNPFEDSA-N 2 2 333.524 3.027 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000072407152 216198707 /nfs/dbraw/zinc/19/87/07/216198707.db2.gz OEGHRTFGFUAUPL-MRXNPFEDSA-N 2 2 333.524 3.027 50 0 EGAALP CSc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)c1 ZINC000215123676 241106940 /nfs/dbraw/zinc/10/69/40/241106940.db2.gz ROQLEUZUMZCZGN-KRWDZBQOSA-N 2 2 334.529 3.077 50 0 EGAALP CSc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](CO)C3)CC2)c1 ZINC000215123676 241106945 /nfs/dbraw/zinc/10/69/45/241106945.db2.gz ROQLEUZUMZCZGN-KRWDZBQOSA-N 2 2 334.529 3.077 50 0 EGAALP C[NH+](C)CCCOc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000216417972 241192486 /nfs/dbraw/zinc/19/24/86/241192486.db2.gz YJJGMRJOSZKRKE-UHFFFAOYSA-N 3 2 342.487 3.120 50 0 EGAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000244773872 243079604 /nfs/dbraw/zinc/07/96/04/243079604.db2.gz PIEKXTYNQUUZFD-INIZCTEOSA-N 2 2 331.435 3.376 50 0 EGAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000244773872 243079609 /nfs/dbraw/zinc/07/96/09/243079609.db2.gz PIEKXTYNQUUZFD-INIZCTEOSA-N 2 2 331.435 3.376 50 0 EGAALP CCc1[nH+]c2ccccc2n1CCC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000020537806 212144295 /nfs/dbraw/zinc/14/42/95/212144295.db2.gz VGEDPEOAXGIRAG-MRXNPFEDSA-N 2 2 329.488 3.472 50 0 EGAALP CCc1[nH+]c2ccccc2n1CCC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000020537806 212144299 /nfs/dbraw/zinc/14/42/99/212144299.db2.gz VGEDPEOAXGIRAG-MRXNPFEDSA-N 2 2 329.488 3.472 50 0 EGAALP CC[NH+](CC)CC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000020112130 212102887 /nfs/dbraw/zinc/10/28/87/212102887.db2.gz IXWZZPQLSGSFEA-YAOJWGSESA-N 2 2 348.531 3.232 50 0 biogenic EGAALP CSc1ccc(C[NH+]2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019885204 212080105 /nfs/dbraw/zinc/08/01/05/212080105.db2.gz QYXUAMJTHQYQLW-HOTGVXAUSA-N 2 2 334.529 3.482 50 0 EGAALP Cc1cc(-n2cccn2)ccc1C[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000097527348 219033343 /nfs/dbraw/zinc/03/33/43/219033343.db2.gz YRJVNXWUEDURPI-UHFFFAOYSA-N 2 2 335.455 3.289 50 0 EGAALP CN1CCc2[nH+]c[nH]c2C12CC[NH+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000095527584 277187015 /nfs/dbraw/zinc/18/70/15/277187015.db2.gz GQKAPRBEBWFKME-IRXDYDNUSA-N 2 2 340.515 3.181 50 0 EGAALP c1coc(-c2ccc(N3CCC([NH2+]CCc4c[nH]c[nH+]4)CC3)cc2)c1 ZINC000023543384 453713445 /nfs/dbraw/zinc/71/34/45/453713445.db2.gz HROWGOVYCOYOTP-UHFFFAOYSA-N 2 2 336.439 3.471 50 0 EGAALP c1coc(-c2ccc(N3CCC([NH2+]CCc4c[nH+]c[nH]4)CC3)cc2)c1 ZINC000023543384 453713447 /nfs/dbraw/zinc/71/34/47/453713447.db2.gz HROWGOVYCOYOTP-UHFFFAOYSA-N 2 2 336.439 3.471 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000077408458 454102548 /nfs/dbraw/zinc/10/25/48/454102548.db2.gz AEBJMUIKYHZSOT-AWEZNQCLSA-N 2 2 341.415 3.050 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000077408458 454102551 /nfs/dbraw/zinc/10/25/51/454102551.db2.gz AEBJMUIKYHZSOT-AWEZNQCLSA-N 2 2 341.415 3.050 50 0 EGAALP CC(C)[NH+]1CCC(c2[nH+]ccn2C[C@H](C)Oc2cccnc2)CC1 ZINC000071479706 454207278 /nfs/dbraw/zinc/20/72/78/454207278.db2.gz SVBOIOGRAQVQBW-INIZCTEOSA-N 2 2 328.460 3.333 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)[nH+]1 ZINC000097200560 454422601 /nfs/dbraw/zinc/42/26/01/454422601.db2.gz DQDFDKAPKRHIIK-MRXNPFEDSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)[nH+]1 ZINC000097200560 454422608 /nfs/dbraw/zinc/42/26/08/454422608.db2.gz DQDFDKAPKRHIIK-MRXNPFEDSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)[nH+]c1 ZINC000097200535 454422962 /nfs/dbraw/zinc/42/29/62/454422962.db2.gz SWFNFRWATQZJEN-INIZCTEOSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)[nH+]c1 ZINC000097200535 454422965 /nfs/dbraw/zinc/42/29/65/454422965.db2.gz SWFNFRWATQZJEN-INIZCTEOSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]c1 ZINC000097200764 454423143 /nfs/dbraw/zinc/42/31/43/454423143.db2.gz ATXOQSVETBCFET-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]c1 ZINC000097200764 454423148 /nfs/dbraw/zinc/42/31/48/454423148.db2.gz ATXOQSVETBCFET-MRXNPFEDSA-N 2 2 349.438 3.374 50 0 EGAALP COc1ccc(OC)c(C[NH+]2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000004745648 210266739 /nfs/dbraw/zinc/26/67/39/210266739.db2.gz FJQPONIXXJOYOL-MRXNPFEDSA-N 2 2 332.488 3.400 50 0 EGAALP COc1ccc(OC)c(C[NH+]2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000004745648 210266742 /nfs/dbraw/zinc/26/67/42/210266742.db2.gz FJQPONIXXJOYOL-MRXNPFEDSA-N 2 2 332.488 3.400 50 0 EGAALP Cc1ccc(Cn2c3ccccc3nc2C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000067740317 215199339 /nfs/dbraw/zinc/19/93/39/215199339.db2.gz IFGYKZXTTDZQAY-GOSISDBHSA-N 2 2 334.467 3.174 50 0 EGAALP Cc1ccc(Cn2c3ccccc3nc2C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000067740317 215199341 /nfs/dbraw/zinc/19/93/41/215199341.db2.gz IFGYKZXTTDZQAY-GOSISDBHSA-N 2 2 334.467 3.174 50 0 EGAALP C[NH+](C)CCNc1cc(-c2ccc3c[nH+]c(N)cc3c2)c2cc[nH]c2n1 ZINC000072143513 216029457 /nfs/dbraw/zinc/02/94/57/216029457.db2.gz MWUPVPHNPFQCLS-UHFFFAOYSA-N 2 2 346.438 3.334 50 0 EGAALP COc1cc(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1OC ZINC000215403367 241122454 /nfs/dbraw/zinc/12/24/54/241122454.db2.gz GGDPICWHAZOEBR-UHFFFAOYSA-N 2 2 335.835 3.460 50 0 EGAALP c1c(-c2ccccc2)n(CC[NH+]2CCOCC2)c2[nH+]c3ccccc3n12 ZINC000019720638 212058798 /nfs/dbraw/zinc/05/87/98/212058798.db2.gz UXARCJWRSCZPDJ-UHFFFAOYSA-N 2 2 346.434 3.288 50 0 EGAALP CCN(Cc1[nH]cc[nH+]1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012433226 211379276 /nfs/dbraw/zinc/37/92/76/211379276.db2.gz IWDRKADXVDJYPN-GOSISDBHSA-N 2 2 344.478 3.325 50 0 EGAALP CCN(Cc1[nH]cc[nH+]1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012433226 211379279 /nfs/dbraw/zinc/37/92/79/211379279.db2.gz IWDRKADXVDJYPN-GOSISDBHSA-N 2 2 344.478 3.325 50 0 EGAALP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074480 274027555 /nfs/dbraw/zinc/02/75/55/274027555.db2.gz UKVRBZCOHLSBDJ-GOSISDBHSA-N 2 2 340.870 3.413 50 0 EGAALP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074480 274027556 /nfs/dbraw/zinc/02/75/56/274027556.db2.gz UKVRBZCOHLSBDJ-GOSISDBHSA-N 2 2 340.870 3.413 50 0 EGAALP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074480 274027557 /nfs/dbraw/zinc/02/75/57/274027557.db2.gz UKVRBZCOHLSBDJ-GOSISDBHSA-N 2 2 340.870 3.413 50 0 EGAALP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074480 274027558 /nfs/dbraw/zinc/02/75/58/274027558.db2.gz UKVRBZCOHLSBDJ-GOSISDBHSA-N 2 2 340.870 3.413 50 0 EGAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076835 454400063 /nfs/dbraw/zinc/40/00/63/454400063.db2.gz SEULYVMTCKCLLK-ZDUSSCGKSA-N 2 2 331.287 3.394 50 0 EGAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076835 454400071 /nfs/dbraw/zinc/40/00/71/454400071.db2.gz SEULYVMTCKCLLK-ZDUSSCGKSA-N 2 2 331.287 3.394 50 0 EGAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076835 454400078 /nfs/dbraw/zinc/40/00/78/454400078.db2.gz SEULYVMTCKCLLK-ZDUSSCGKSA-N 2 2 331.287 3.394 50 0 EGAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076835 454400082 /nfs/dbraw/zinc/40/00/82/454400082.db2.gz SEULYVMTCKCLLK-ZDUSSCGKSA-N 2 2 331.287 3.394 50 0 EGAALP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NCCC[NH+](C)C ZINC000001912400 452680507 /nfs/dbraw/zinc/68/05/07/452680507.db2.gz DRDAFDJAYXZMJW-UHFFFAOYSA-N 2 2 329.444 3.392 50 0 EGAALP O[C@H](Cn1cc[nH+]c1-c1ccc(Cl)cc1)C[NH+]1CCCCCC1 ZINC000082106245 453923815 /nfs/dbraw/zinc/92/38/15/453923815.db2.gz UWVFRPSRSZJJGP-KRWDZBQOSA-N 2 2 333.863 3.440 50 0 EGAALP CC(C)CN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccsc1)CC2 ZINC000095497103 454221044 /nfs/dbraw/zinc/22/10/44/454221044.db2.gz YXYXPVLLTWSHPY-UHFFFAOYSA-N 2 2 344.528 3.477 50 0 EGAALP Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)[nH+]c1 ZINC000095528142 454229447 /nfs/dbraw/zinc/22/94/47/454229447.db2.gz GZARECZHPUHDPI-OAHLLOKOSA-N 2 2 339.468 3.475 50 0 EGAALP CC(C)=CC[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000096136471 454291156 /nfs/dbraw/zinc/29/11/56/454291156.db2.gz ALMCHFZKPYLLPN-UHFFFAOYSA-N 2 2 343.519 3.354 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000097200833 454423584 /nfs/dbraw/zinc/42/35/84/454423584.db2.gz QSRFGUCMOYIWRS-INIZCTEOSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000097200833 454423588 /nfs/dbraw/zinc/42/35/88/454423588.db2.gz QSRFGUCMOYIWRS-INIZCTEOSA-N 2 2 335.455 3.211 50 0 EGAALP C[NH+]1CCC(c2nccn2[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000071419445 1292267726 /nfs/dbraw/zinc/26/77/26/1292267726.db2.gz AIIOEJYMRJHFOQ-LJQANCHMSA-N 2 2 335.455 3.178 50 0 EGAALP c1cn(-c2ccccc2C[NH2+]Cc2cnc(N3CCCC3)s2)c[nH+]1 ZINC000952960225 1334625239 /nfs/dbraw/zinc/62/52/39/1334625239.db2.gz NWSILXHJUVEBGF-UHFFFAOYSA-N 2 2 339.468 3.219 50 0 EGAALP Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3NCCCn2cc[nH+]c2)c1 ZINC000036688997 213110002 /nfs/dbraw/zinc/11/00/02/213110002.db2.gz PUSDADWMFLURDX-UHFFFAOYSA-N 2 2 347.426 3.131 50 0 EGAALP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000072167494 216056743 /nfs/dbraw/zinc/05/67/43/216056743.db2.gz XOHBYYZSJKQQCA-CQSZACIVSA-N 2 2 333.863 3.098 50 0 EGAALP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000072167494 216056745 /nfs/dbraw/zinc/05/67/45/216056745.db2.gz XOHBYYZSJKQQCA-CQSZACIVSA-N 2 2 333.863 3.098 50 0 EGAALP COc1ccc(Nc2ncc(C[N@H+](C)CCn3cc[nH+]c3)s2)cc1 ZINC000023339444 212369612 /nfs/dbraw/zinc/36/96/12/212369612.db2.gz RQWIOTXJNYIVPP-UHFFFAOYSA-N 2 2 343.456 3.224 50 0 EGAALP COc1ccc(Nc2ncc(C[N@@H+](C)CCn3cc[nH+]c3)s2)cc1 ZINC000023339444 212369615 /nfs/dbraw/zinc/36/96/15/212369615.db2.gz RQWIOTXJNYIVPP-UHFFFAOYSA-N 2 2 343.456 3.224 50 0 EGAALP COc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1OC ZINC000215228652 241115901 /nfs/dbraw/zinc/11/59/01/241115901.db2.gz VCXBCGAZLPUCOW-UHFFFAOYSA-N 2 2 347.846 3.074 50 0 EGAALP C[N@H+](C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455704 212132058 /nfs/dbraw/zinc/13/20/58/212132058.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 3 2 347.522 3.106 50 0 EGAALP C[N@@H+](C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455704 212132059 /nfs/dbraw/zinc/13/20/59/212132059.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 3 2 347.522 3.106 50 0 EGAALP C[NH+](C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455704 212132061 /nfs/dbraw/zinc/13/20/61/212132061.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 3 2 347.522 3.106 50 0 EGAALP C[NH+](C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455704 212132063 /nfs/dbraw/zinc/13/20/63/212132063.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 3 2 347.522 3.106 50 0 EGAALP Cc1cn2cc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)ccc2[nH+]1 ZINC000082086621 453922351 /nfs/dbraw/zinc/92/23/51/453922351.db2.gz FCDQLJDQCICSAR-LJQANCHMSA-N 2 2 348.450 3.210 50 0 EGAALP CSCc1ccc(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]c1 ZINC000082134729 453925923 /nfs/dbraw/zinc/92/59/23/453925923.db2.gz FDXZJRVFIWDYJO-GASCZTMLSA-N 2 2 335.517 3.023 50 0 EGAALP CSCc1ccc(N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]c1 ZINC000082134729 453925927 /nfs/dbraw/zinc/92/59/27/453925927.db2.gz FDXZJRVFIWDYJO-GASCZTMLSA-N 2 2 335.517 3.023 50 0 EGAALP C[NH2+][C@@H](C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1)c1ccccc1 ZINC000095500412 454222286 /nfs/dbraw/zinc/22/22/86/454222286.db2.gz NKLZOLRAOIMQNJ-GOSISDBHSA-N 2 2 340.471 3.131 50 0 EGAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]1 ZINC000097200857 454422737 /nfs/dbraw/zinc/42/27/37/454422737.db2.gz KYFAKGVWTUECRJ-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]1 ZINC000097200857 454422747 /nfs/dbraw/zinc/42/27/47/454422747.db2.gz KYFAKGVWTUECRJ-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP COCC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000952986030 1334630878 /nfs/dbraw/zinc/63/08/78/1334630878.db2.gz CVKRVJBKSJLPQS-CYBMUJFWSA-N 2 2 331.287 3.441 50 0 EGAALP COCC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000952986030 1334630881 /nfs/dbraw/zinc/63/08/81/1334630881.db2.gz CVKRVJBKSJLPQS-CYBMUJFWSA-N 2 2 331.287 3.441 50 0 EGAALP C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000035268965 213016963 /nfs/dbraw/zinc/01/69/63/213016963.db2.gz KZMIFJXZFDHKGN-HNNXBMFYSA-N 2 2 325.412 3.376 50 0 EGAALP Cc1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C[NH+](C)C)C3)o2)cc1Cl ZINC000072435852 216231394 /nfs/dbraw/zinc/23/13/94/216231394.db2.gz UXJKHAABGBXQRO-IBGZPJMESA-N 2 2 348.874 3.407 50 0 EGAALP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@](O)(C[NH+](C)C)C3)o2)cc1Cl ZINC000072435852 216231398 /nfs/dbraw/zinc/23/13/98/216231398.db2.gz UXJKHAABGBXQRO-IBGZPJMESA-N 2 2 348.874 3.407 50 0 EGAALP COCCC[N@H+](Cc1cc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000072476784 216254536 /nfs/dbraw/zinc/25/45/36/216254536.db2.gz SELLGACXXMNENU-UHFFFAOYSA-N 2 2 329.488 3.111 50 0 EGAALP COCCC[N@@H+](Cc1cc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000072476784 216254538 /nfs/dbraw/zinc/25/45/38/216254538.db2.gz SELLGACXXMNENU-UHFFFAOYSA-N 2 2 329.488 3.111 50 0 EGAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000244773873 243078321 /nfs/dbraw/zinc/07/83/21/243078321.db2.gz PIEKXTYNQUUZFD-MRXNPFEDSA-N 2 2 331.435 3.376 50 0 EGAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000244773873 243078324 /nfs/dbraw/zinc/07/83/24/243078324.db2.gz PIEKXTYNQUUZFD-MRXNPFEDSA-N 2 2 331.435 3.376 50 0 EGAALP CC[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012305980 211338736 /nfs/dbraw/zinc/33/87/36/211338736.db2.gz IHGAUWAHILOEJZ-SFHVURJKSA-N 2 2 344.478 3.325 50 0 EGAALP CC[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012305980 211338741 /nfs/dbraw/zinc/33/87/41/211338741.db2.gz IHGAUWAHILOEJZ-SFHVURJKSA-N 2 2 344.478 3.325 50 0 EGAALP CC[NH+](Cc1cc[nH]n1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012305980 211338745 /nfs/dbraw/zinc/33/87/45/211338745.db2.gz IHGAUWAHILOEJZ-SFHVURJKSA-N 2 2 344.478 3.325 50 0 EGAALP CC[NH+](Cc1cc[nH]n1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012305980 211338750 /nfs/dbraw/zinc/33/87/50/211338750.db2.gz IHGAUWAHILOEJZ-SFHVURJKSA-N 2 2 344.478 3.325 50 0 EGAALP C[NH+](C)[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1CCCO ZINC000091644159 218037385 /nfs/dbraw/zinc/03/73/85/218037385.db2.gz AWPDBNXKLYDSPW-PBHICJAKSA-N 2 2 328.859 3.004 50 0 EGAALP C[NH+](C)[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1CCCO ZINC000091644159 218037388 /nfs/dbraw/zinc/03/73/88/218037388.db2.gz AWPDBNXKLYDSPW-PBHICJAKSA-N 2 2 328.859 3.004 50 0 EGAALP COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000012575966 453379199 /nfs/dbraw/zinc/37/91/99/453379199.db2.gz YVNWRDOQNWWERF-SFHVURJKSA-N 2 2 344.499 3.463 50 0 EGAALP COc1cccc(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000012575966 453379204 /nfs/dbraw/zinc/37/92/04/453379204.db2.gz YVNWRDOQNWWERF-SFHVURJKSA-N 2 2 344.499 3.463 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1noc(C2CCCC2)n1 ZINC000077408249 454102446 /nfs/dbraw/zinc/10/24/46/454102446.db2.gz FGTNIDIHZXDRML-INIZCTEOSA-N 2 2 343.475 3.448 50 0 EGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1noc(C2CCCC2)n1 ZINC000077408249 454102450 /nfs/dbraw/zinc/10/24/50/454102450.db2.gz FGTNIDIHZXDRML-INIZCTEOSA-N 2 2 343.475 3.448 50 0 EGAALP CC[N@@H+]1CCC[C@H](CN(C)c2nccc(-c3ccc(C)[nH+]c3C)n2)C1 ZINC000071748804 454213017 /nfs/dbraw/zinc/21/30/17/454213017.db2.gz AJJBQAGTOBRIJQ-QGZVFWFLSA-N 2 2 339.487 3.324 50 0 EGAALP CC[N@H+]1CCC[C@H](CN(C)c2nccc(-c3ccc(C)[nH+]c3C)n2)C1 ZINC000071748804 454213023 /nfs/dbraw/zinc/21/30/23/454213023.db2.gz AJJBQAGTOBRIJQ-QGZVFWFLSA-N 2 2 339.487 3.324 50 0 EGAALP c1ccc(-c2nnc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200489 454423730 /nfs/dbraw/zinc/42/37/30/454423730.db2.gz SUULLXXHFHGEFZ-OAHLLOKOSA-N 2 2 335.411 3.066 50 0 EGAALP c1ccc(-c2nnc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000097200489 454423736 /nfs/dbraw/zinc/42/37/36/454423736.db2.gz SUULLXXHFHGEFZ-OAHLLOKOSA-N 2 2 335.411 3.066 50 0 EGAALP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000048716624 454510077 /nfs/dbraw/zinc/51/00/77/454510077.db2.gz WWBWOAVSISPNQW-UHFFFAOYSA-N 2 2 338.451 3.478 50 0 EGAALP COc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)c(C)o2)c(C)c1C ZINC000067712798 215190945 /nfs/dbraw/zinc/19/09/45/215190945.db2.gz XXIHNCXIGYIQBZ-UHFFFAOYSA-N 2 2 329.444 3.199 50 0 EGAALP CCn1cc[nH+]c1CN(C)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000022910570 212332547 /nfs/dbraw/zinc/33/25/47/212332547.db2.gz HKOGFGVAPZGRHS-HXUWFJFHSA-N 2 2 340.515 3.432 50 0 EGAALP CCn1cc[nH+]c1CN(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000022910570 212332551 /nfs/dbraw/zinc/33/25/51/212332551.db2.gz HKOGFGVAPZGRHS-HXUWFJFHSA-N 2 2 340.515 3.432 50 0 EGAALP Fc1c[nH+]ccc1N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091486495 218013162 /nfs/dbraw/zinc/01/31/62/218013162.db2.gz HDOBVIGALMCPGS-INIZCTEOSA-N 2 2 337.402 3.245 50 0 EGAALP Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH+]c1 ZINC000091966033 218095646 /nfs/dbraw/zinc/09/56/46/218095646.db2.gz LBCNXYIVHQMCCJ-SFHVURJKSA-N 2 2 333.439 3.414 50 0 EGAALP Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000008700890 453222649 /nfs/dbraw/zinc/22/26/49/453222649.db2.gz XHNXOBLGZUSPMS-UHFFFAOYSA-N 2 2 333.863 3.428 50 0 EGAALP Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000008700890 453222656 /nfs/dbraw/zinc/22/26/56/453222656.db2.gz XHNXOBLGZUSPMS-UHFFFAOYSA-N 2 2 333.863 3.428 50 0 EGAALP C1=CC[C@H](C[N@@H+]2CCOc3ccc(C[NH+]4CCOCC4)cc3C2)CC1 ZINC000014992937 453550918 /nfs/dbraw/zinc/55/09/18/453550918.db2.gz ZSPADRMKCPSSEA-SFHVURJKSA-N 2 2 342.483 3.070 50 0 EGAALP C1=CC[C@H](C[N@H+]2CCOc3ccc(C[NH+]4CCOCC4)cc3C2)CC1 ZINC000014992937 453550920 /nfs/dbraw/zinc/55/09/20/453550920.db2.gz ZSPADRMKCPSSEA-SFHVURJKSA-N 2 2 342.483 3.070 50 0 EGAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000017287559 453632545 /nfs/dbraw/zinc/63/25/45/453632545.db2.gz DYFXUMTYULDJMU-UHFFFAOYSA-N 2 2 342.422 3.098 50 0 EGAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]c1 ZINC000097200755 454423869 /nfs/dbraw/zinc/42/38/69/454423869.db2.gz CWWUJCUFNSRLFO-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)[nH+]c1 ZINC000097200755 454423875 /nfs/dbraw/zinc/42/38/75/454423875.db2.gz CWWUJCUFNSRLFO-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000225344129 456078946 /nfs/dbraw/zinc/07/89/46/456078946.db2.gz XLBYFXBYBWCJLY-KGLIPLIRSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000225344129 456078951 /nfs/dbraw/zinc/07/89/51/456078951.db2.gz XLBYFXBYBWCJLY-KGLIPLIRSA-N 2 2 327.432 3.145 50 0 EGAALP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000637952279 461147702 /nfs/dbraw/zinc/14/77/02/461147702.db2.gz MLLZOHIPHHUNOH-GFCCVEGCSA-N 2 2 335.835 3.460 50 0 EGAALP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000637952279 461147708 /nfs/dbraw/zinc/14/77/08/461147708.db2.gz MLLZOHIPHHUNOH-GFCCVEGCSA-N 2 2 335.835 3.460 50 0 EGAALP Cc1cc(C[N@H+]2CCC[C@@H](C)C2)c(C)c(-c2[nH+]ccn2CCO)c1 ZINC000067774709 215211085 /nfs/dbraw/zinc/21/10/85/215211085.db2.gz YOEOPTAYYIFIBX-OAHLLOKOSA-N 2 2 327.472 3.391 50 0 EGAALP Cc1cc(C[N@@H+]2CCC[C@@H](C)C2)c(C)c(-c2[nH+]ccn2CCO)c1 ZINC000067774709 215211089 /nfs/dbraw/zinc/21/10/89/215211089.db2.gz YOEOPTAYYIFIBX-OAHLLOKOSA-N 2 2 327.472 3.391 50 0 EGAALP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c(Cl)cc1OC ZINC000215890283 241152833 /nfs/dbraw/zinc/15/28/33/241152833.db2.gz DFHDZGAOACQJBX-ZDUSSCGKSA-N 2 2 326.868 3.131 50 0 EGAALP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c(Cl)cc1OC ZINC000215890283 241152839 /nfs/dbraw/zinc/15/28/39/241152839.db2.gz DFHDZGAOACQJBX-ZDUSSCGKSA-N 2 2 326.868 3.131 50 0 EGAALP CCOc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c(Cl)cc1OC ZINC000215890283 241152846 /nfs/dbraw/zinc/15/28/46/241152846.db2.gz DFHDZGAOACQJBX-ZDUSSCGKSA-N 2 2 326.868 3.131 50 0 EGAALP CCOc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c(Cl)cc1OC ZINC000215890283 241152853 /nfs/dbraw/zinc/15/28/53/241152853.db2.gz DFHDZGAOACQJBX-ZDUSSCGKSA-N 2 2 326.868 3.131 50 0 EGAALP CSc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019885206 212079730 /nfs/dbraw/zinc/07/97/30/212079730.db2.gz QYXUAMJTHQYQLW-HZPDHXFCSA-N 2 2 334.529 3.482 50 0 EGAALP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1F ZINC000019229557 212007169 /nfs/dbraw/zinc/00/71/69/212007169.db2.gz FTBMIXYVIMQZLQ-GFCCVEGCSA-N 2 2 334.414 3.204 50 0 EGAALP Cc1ccc[nH+]c1N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091434693 218005114 /nfs/dbraw/zinc/00/51/14/218005114.db2.gz RURGHTVLZUMVAK-UHFFFAOYSA-N 2 2 333.439 3.414 50 0 EGAALP Cc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)c1 ZINC000091536179 218019055 /nfs/dbraw/zinc/01/90/55/218019055.db2.gz LBQIEDFWUZGVBR-GOSISDBHSA-N 2 2 333.439 3.414 50 0 EGAALP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000092077920 218116002 /nfs/dbraw/zinc/11/60/02/218116002.db2.gz ADZFBXUOSXSARI-UHFFFAOYSA-N 2 2 348.450 3.202 50 0 EGAALP CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000095385226 218316979 /nfs/dbraw/zinc/31/69/79/218316979.db2.gz RENBMNGQWRQQOK-KRWDZBQOSA-N 2 2 346.519 3.264 50 0 EGAALP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000097495100 219029205 /nfs/dbraw/zinc/02/92/05/219029205.db2.gz KNPVKNUVCDQZQP-CQSZACIVSA-N 2 2 330.863 3.228 50 0 EGAALP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000097495100 219029207 /nfs/dbraw/zinc/02/92/07/219029207.db2.gz KNPVKNUVCDQZQP-CQSZACIVSA-N 2 2 330.863 3.228 50 0 EGAALP C[C@@H](c1ccc(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)cc1)[NH+](C)C ZINC000082137319 287133377 /nfs/dbraw/zinc/13/33/77/287133377.db2.gz GAYZCVBSKOWDBW-KRWDZBQOSA-N 2 2 337.467 3.158 50 0 EGAALP C[C@@H](c1ccc(C[N@H+]2CCN(c3ccccc3)C(=O)C2)cc1)[NH+](C)C ZINC000082137319 287133378 /nfs/dbraw/zinc/13/33/78/287133378.db2.gz GAYZCVBSKOWDBW-KRWDZBQOSA-N 2 2 337.467 3.158 50 0 EGAALP CC[NH+](CC)CCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000005349122 452863655 /nfs/dbraw/zinc/86/36/55/452863655.db2.gz FDTPTCYVSVLYOL-UHFFFAOYSA-N 2 2 341.459 3.443 50 0 EGAALP C[NH+](C)CCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000005454322 452874765 /nfs/dbraw/zinc/87/47/65/452874765.db2.gz PMQDLNPDZNZQHM-UHFFFAOYSA-N 2 2 348.406 3.246 50 0 EGAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000020083694 453662039 /nfs/dbraw/zinc/66/20/39/453662039.db2.gz LOBCJZKRLWDPOT-UHFFFAOYSA-N 2 2 343.515 3.224 50 0 EGAALP CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077319836 454090591 /nfs/dbraw/zinc/09/05/91/454090591.db2.gz GBEKCHPROBFHLM-GOSISDBHSA-N 2 2 327.428 3.180 50 0 EGAALP CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077319836 454090595 /nfs/dbraw/zinc/09/05/95/454090595.db2.gz GBEKCHPROBFHLM-GOSISDBHSA-N 2 2 327.428 3.180 50 0 EGAALP Cc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095529379 454229021 /nfs/dbraw/zinc/22/90/21/454229021.db2.gz LLKKQHOFJLZPKZ-HNNXBMFYSA-N 2 2 339.468 3.475 50 0 EGAALP CC[N@@H+]1CCC[C@@H](c2cn(Cc3[nH]c4cc(C)c(C)cc4[nH+]3)nn2)C1 ZINC000091270608 454420155 /nfs/dbraw/zinc/42/01/55/454420155.db2.gz PVQPZZKRZCDFDT-OAHLLOKOSA-N 2 2 338.459 3.019 50 0 EGAALP CC[N@H+]1CCC[C@@H](c2cn(Cc3[nH]c4cc(C)c(C)cc4[nH+]3)nn2)C1 ZINC000091270608 454420161 /nfs/dbraw/zinc/42/01/61/454420161.db2.gz PVQPZZKRZCDFDT-OAHLLOKOSA-N 2 2 338.459 3.019 50 0 EGAALP CC(C)n1cnnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000065458730 454570957 /nfs/dbraw/zinc/57/09/57/454570957.db2.gz IGLZXQRXWVZPSA-INIZCTEOSA-N 2 2 327.476 3.174 50 0 EGAALP COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1OC(C)C ZINC000426693860 457878322 /nfs/dbraw/zinc/87/83/22/457878322.db2.gz UHRYWEDZYHOGMV-FVCICTRLSA-N 2 2 338.879 3.305 50 0 EGAALP COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1OC(C)C ZINC000426693860 457878329 /nfs/dbraw/zinc/87/83/29/457878329.db2.gz UHRYWEDZYHOGMV-FVCICTRLSA-N 2 2 338.879 3.305 50 0 EGAALP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067740437 215199309 /nfs/dbraw/zinc/19/93/09/215199309.db2.gz YHTYPRMBQUPQAS-INIZCTEOSA-N 2 2 343.471 3.446 50 0 EGAALP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067740437 215199311 /nfs/dbraw/zinc/19/93/11/215199311.db2.gz YHTYPRMBQUPQAS-INIZCTEOSA-N 2 2 343.471 3.446 50 0 EGAALP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000187760531 236292924 /nfs/dbraw/zinc/29/29/24/236292924.db2.gz XJHZDMIGOLFKPU-FQEVSTJZSA-N 2 2 338.499 3.168 50 0 EGAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](Nc3nc(N)cc[nH+]3)C2)cc1 ZINC000072423022 216211491 /nfs/dbraw/zinc/21/14/91/216211491.db2.gz YQYWGFGKCQCADS-GOSISDBHSA-N 2 2 339.487 3.334 50 0 EGAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](Nc3nc(N)cc[nH+]3)C2)cc1 ZINC000072423022 216211494 /nfs/dbraw/zinc/21/14/94/216211494.db2.gz YQYWGFGKCQCADS-GOSISDBHSA-N 2 2 339.487 3.334 50 0 EGAALP CC(C)Cn1c[nH+]cc1Cn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000072456988 216242535 /nfs/dbraw/zinc/24/25/35/216242535.db2.gz CRTIKMSJLXTWSK-UHFFFAOYSA-N 2 2 338.411 3.222 50 0 EGAALP CCn1cc[nH+]c1CN1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000019744523 212059887 /nfs/dbraw/zinc/05/98/87/212059887.db2.gz FNFQBUXEHLVNFD-LJQANCHMSA-N 2 2 326.488 3.042 50 0 EGAALP CCn1cc[nH+]c1CN1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000019744523 212059890 /nfs/dbraw/zinc/05/98/90/212059890.db2.gz FNFQBUXEHLVNFD-LJQANCHMSA-N 2 2 326.488 3.042 50 0 EGAALP Fc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000012053934 211284545 /nfs/dbraw/zinc/28/45/45/211284545.db2.gz FBYYIPHYZAFTGG-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000012053934 211284548 /nfs/dbraw/zinc/28/45/48/211284548.db2.gz FBYYIPHYZAFTGG-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000012053934 211284551 /nfs/dbraw/zinc/28/45/51/211284551.db2.gz FBYYIPHYZAFTGG-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000012053934 211284555 /nfs/dbraw/zinc/28/45/55/211284555.db2.gz FBYYIPHYZAFTGG-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP Cc1[nH+]cc(C[NH2+]Cc2cccnc2Oc2ccc(F)c(F)c2)n1C ZINC000011819624 211252105 /nfs/dbraw/zinc/25/21/05/211252105.db2.gz ZXPTYSGAGDDQOR-UHFFFAOYSA-N 2 2 344.365 3.484 50 0 EGAALP CN(CC[NH+]1CCCCCC1)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097324057 219012151 /nfs/dbraw/zinc/01/21/51/219012151.db2.gz LVZBIAPJDNWAEP-UHFFFAOYSA-N 2 2 326.444 3.025 50 0 EGAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591903 453379340 /nfs/dbraw/zinc/37/93/40/453379340.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 3 2 341.543 3.377 50 0 EGAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591903 453379342 /nfs/dbraw/zinc/37/93/42/453379342.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 3 2 341.543 3.377 50 0 EGAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591903 453379344 /nfs/dbraw/zinc/37/93/44/453379344.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 3 2 341.543 3.377 50 0 EGAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591903 453379346 /nfs/dbraw/zinc/37/93/46/453379346.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 3 2 341.543 3.377 50 0 EGAALP Cc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095529380 454229166 /nfs/dbraw/zinc/22/91/66/454229166.db2.gz LLKKQHOFJLZPKZ-OAHLLOKOSA-N 2 2 339.468 3.475 50 0 EGAALP COc1cccc(-c2ncc(C[N@H+](C)CCn3cc[nH+]c3)s2)c1 ZINC000215106225 537069815 /nfs/dbraw/zinc/06/98/15/537069815.db2.gz WAHHNWUQXXTTDE-UHFFFAOYSA-N 2 2 328.441 3.147 50 0 EGAALP COc1cccc(-c2ncc(C[N@@H+](C)CCn3cc[nH+]c3)s2)c1 ZINC000215106225 537069826 /nfs/dbraw/zinc/06/98/26/537069826.db2.gz WAHHNWUQXXTTDE-UHFFFAOYSA-N 2 2 328.441 3.147 50 0 EGAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(-c2cccc(F)c2)c1 ZINC000952869090 1334583926 /nfs/dbraw/zinc/58/39/26/1334583926.db2.gz IBQQTMQWLJAIMG-SFHVURJKSA-N 2 2 341.434 3.412 50 0 EGAALP c1[nH]cc(CC[NH2+]Cc2cnc(-c3ccc4ccccc4c3)nc2)[nH+]1 ZINC000055166061 214281775 /nfs/dbraw/zinc/28/17/75/214281775.db2.gz KKNKHCUQSGOWGK-UHFFFAOYSA-N 2 2 329.407 3.352 50 0 EGAALP c1[nH]c(CC[NH2+]Cc2cnc(-c3ccc4ccccc4c3)nc2)c[nH+]1 ZINC000055166061 214281778 /nfs/dbraw/zinc/28/17/78/214281778.db2.gz KKNKHCUQSGOWGK-UHFFFAOYSA-N 2 2 329.407 3.352 50 0 EGAALP c1c(C[NH+]2CCC([NH+]3CCSCC3)CC2)onc1-c1ccccc1 ZINC000215352868 241120152 /nfs/dbraw/zinc/12/01/52/241120152.db2.gz GVDFCQVKRJBSIH-UHFFFAOYSA-N 2 2 343.496 3.355 50 0 EGAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000095374595 218307513 /nfs/dbraw/zinc/30/75/13/218307513.db2.gz QDCQGXVDEXDPAF-SFHVURJKSA-N 3 2 349.482 3.377 50 0 EGAALP C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000095374595 218307516 /nfs/dbraw/zinc/30/75/16/218307516.db2.gz QDCQGXVDEXDPAF-SFHVURJKSA-N 2 2 349.482 3.377 50 0 EGAALP CC(C)Oc1cc(N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)nc(N)[nH+]1 ZINC000095388334 218320173 /nfs/dbraw/zinc/32/01/73/218320173.db2.gz YCNITDNNXOTURW-AWEZNQCLSA-N 2 2 344.463 3.007 50 0 EGAALP Cc1ccc2[nH+]c(N3CCC(OCC[NH+](C)C)CC3)cc(C)c2c1 ZINC000055371141 132194790 /nfs/dbraw/zinc/19/47/90/132194790.db2.gz PNPUNQUHJHCSCC-UHFFFAOYSA-N 2 2 327.472 3.399 50 0 EGAALP Cc1ccc(-n2ncc3c2nc[nH+]c3NCCC[NH+](C)C)cc1Cl ZINC000008583080 453218226 /nfs/dbraw/zinc/21/82/26/453218226.db2.gz FBIBNWROWVNKPC-UHFFFAOYSA-N 2 2 344.850 3.141 50 0 EGAALP Cc1ccc2[nH]c(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)[nH+]c2c1C ZINC000082099451 453923982 /nfs/dbraw/zinc/92/39/82/453923982.db2.gz ZYQGKJPFIQTNPZ-MRXNPFEDSA-N 2 2 343.471 3.040 50 0 EGAALP Cc1ccc2[nH+]c(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)[nH]c2c1C ZINC000082099451 453923985 /nfs/dbraw/zinc/92/39/85/453923985.db2.gz ZYQGKJPFIQTNPZ-MRXNPFEDSA-N 2 2 343.471 3.040 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489183 454112299 /nfs/dbraw/zinc/11/22/99/454112299.db2.gz CCBZCCJFZOZWQR-MRXNPFEDSA-N 2 2 329.492 3.428 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489183 454112302 /nfs/dbraw/zinc/11/23/02/454112302.db2.gz CCBZCCJFZOZWQR-MRXNPFEDSA-N 2 2 329.492 3.428 50 0 EGAALP CC(C)[NH+]1CCC(c2[nH+]ccn2C[C@@H](C)Oc2cccnc2)CC1 ZINC000071479705 454207230 /nfs/dbraw/zinc/20/72/30/454207230.db2.gz SVBOIOGRAQVQBW-MRXNPFEDSA-N 2 2 328.460 3.333 50 0 EGAALP Cc1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)on1 ZINC000095508597 454224070 /nfs/dbraw/zinc/22/40/70/454224070.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 2 2 327.472 3.370 50 0 EGAALP Cc1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)on1 ZINC000095508597 454224073 /nfs/dbraw/zinc/22/40/73/454224073.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 2 2 327.472 3.370 50 0 EGAALP Cc1cc(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)on1 ZINC000095508597 454224078 /nfs/dbraw/zinc/22/40/78/454224078.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 2 2 327.472 3.370 50 0 EGAALP Cc1cc(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)on1 ZINC000095508597 454224082 /nfs/dbraw/zinc/22/40/82/454224082.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 2 2 327.472 3.370 50 0 EGAALP Cc1ccccc1-c1noc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)C)n1 ZINC000065509057 454580934 /nfs/dbraw/zinc/58/09/34/454580934.db2.gz JELBWASLNKPROO-MRXNPFEDSA-N 2 2 325.416 3.056 50 0 EGAALP CC(C)(C[NH+]1CCCCCC1)NC(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000216019665 535077473 /nfs/dbraw/zinc/07/74/73/535077473.db2.gz SDOVLVZEPAGORY-UHFFFAOYSA-N 2 2 340.471 3.461 50 0 EGAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1 ZINC000952989150 1334631512 /nfs/dbraw/zinc/63/15/12/1334631512.db2.gz QCQLXCAUJQYHPP-KRWDZBQOSA-N 2 2 340.814 3.239 50 0 EGAALP Cc1cc(=O)oc2cc(C[N@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)ccc12 ZINC000067727015 215196926 /nfs/dbraw/zinc/19/69/26/215196926.db2.gz MIQXAZLQOAMYIF-KRWDZBQOSA-N 2 2 337.423 3.210 50 0 EGAALP C[NH+](C)Cc1ccccc1Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000067946203 215255730 /nfs/dbraw/zinc/25/57/30/215255730.db2.gz ULIOAJPMZNKWQJ-UHFFFAOYSA-N 2 2 326.440 3.373 50 0 EGAALP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000072138728 216025718 /nfs/dbraw/zinc/02/57/18/216025718.db2.gz XSNJNWWXKKZDAC-OAQYLSRUSA-N 2 2 348.450 3.449 50 0 EGAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000072138728 216025720 /nfs/dbraw/zinc/02/57/20/216025720.db2.gz XSNJNWWXKKZDAC-OAQYLSRUSA-N 2 2 348.450 3.449 50 0 EGAALP COc1ccc2[nH]nc(C[NH+]3CCC([C@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436381 216231475 /nfs/dbraw/zinc/23/14/75/216231475.db2.gz KNDCWBBGSWBFCA-HNNXBMFYSA-N 2 2 342.487 3.268 50 0 EGAALP CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216364484 241185430 /nfs/dbraw/zinc/18/54/30/241185430.db2.gz JGIADOPNDHDJTI-UHFFFAOYSA-N 2 2 332.879 3.213 50 0 EGAALP CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216364484 241185435 /nfs/dbraw/zinc/18/54/35/241185435.db2.gz JGIADOPNDHDJTI-UHFFFAOYSA-N 2 2 332.879 3.213 50 0 EGAALP CCc1nn(C)c(Cl)c1C[NH+](C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000216364484 241185436 /nfs/dbraw/zinc/18/54/36/241185436.db2.gz JGIADOPNDHDJTI-UHFFFAOYSA-N 2 2 332.879 3.213 50 0 EGAALP CCc1nn(C)c(Cl)c1C[NH+](C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216364484 241185440 /nfs/dbraw/zinc/18/54/40/241185440.db2.gz JGIADOPNDHDJTI-UHFFFAOYSA-N 2 2 332.879 3.213 50 0 EGAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000020662039 212160764 /nfs/dbraw/zinc/16/07/64/212160764.db2.gz KBAVQTSOLVRXCQ-UHFFFAOYSA-N 2 2 338.459 3.268 50 0 EGAALP Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)cc1F ZINC000012198020 211317188 /nfs/dbraw/zinc/31/71/88/211317188.db2.gz KXXHQVGERKSNDS-LJQANCHMSA-N 2 2 346.425 3.176 50 0 EGAALP Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)cc1F ZINC000012198020 211317190 /nfs/dbraw/zinc/31/71/90/211317190.db2.gz KXXHQVGERKSNDS-LJQANCHMSA-N 2 2 346.425 3.176 50 0 EGAALP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091518987 218017058 /nfs/dbraw/zinc/01/70/58/218017058.db2.gz PDKPJKAQIUXSJI-LJQANCHMSA-N 3 2 338.499 3.122 50 0 EGAALP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091518987 218017059 /nfs/dbraw/zinc/01/70/59/218017059.db2.gz PDKPJKAQIUXSJI-LJQANCHMSA-N 3 2 338.499 3.122 50 0 EGAALP COc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3cc[nH+]c3)C1)CCC2 ZINC000097346700 219013611 /nfs/dbraw/zinc/01/36/11/219013611.db2.gz LCQXXMGDKUDYNA-INIZCTEOSA-N 2 2 325.456 3.293 50 0 EGAALP COc1cc2c(cc1C[N@H+]1CCC[C@H](Cn3cc[nH+]c3)C1)CCC2 ZINC000097346700 219013612 /nfs/dbraw/zinc/01/36/12/219013612.db2.gz LCQXXMGDKUDYNA-INIZCTEOSA-N 2 2 325.456 3.293 50 0 EGAALP COc1cccc2ccc(C[NH+]3CCC(Cn4cc[nH+]c4)CC3)nc21 ZINC000097601169 219039979 /nfs/dbraw/zinc/03/99/79/219039979.db2.gz NCKKOFTXGAJJEN-UHFFFAOYSA-N 2 2 336.439 3.352 50 0 EGAALP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(OC)c1C ZINC000000169329 452524796 /nfs/dbraw/zinc/52/47/96/452524796.db2.gz ZSUNBOHTNLWING-UHFFFAOYSA-N 2 2 332.488 3.463 50 0 EGAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(NC(=O)CC(C)C)ccc2n1C ZINC000006665418 452966975 /nfs/dbraw/zinc/96/69/75/452966975.db2.gz CMSRXUTVPHRMJA-UHFFFAOYSA-N 2 2 339.443 3.306 50 0 EGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000077321307 454091114 /nfs/dbraw/zinc/09/11/14/454091114.db2.gz OUWXPBNJZNHIAK-UHFFFAOYSA-N 2 2 347.532 3.109 50 0 EGAALP C[C@@H](c1ccc(-c2[nH+]ccn2CCC(=O)N2CCCC2)cc1)[NH+](C)C ZINC000077355578 454096446 /nfs/dbraw/zinc/09/64/46/454096446.db2.gz AAJNQKLDNQBYBT-INIZCTEOSA-N 2 2 340.471 3.185 50 0 EGAALP CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000216329004 536750618 /nfs/dbraw/zinc/75/06/18/536750618.db2.gz ZENVUPGPASKPHD-KRWDZBQOSA-N 2 2 349.862 3.226 50 0 EGAALP CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000216329004 536750621 /nfs/dbraw/zinc/75/06/21/536750621.db2.gz ZENVUPGPASKPHD-KRWDZBQOSA-N 2 2 349.862 3.226 50 0 EGAALP CCc1oc(C(=O)N[C@H](CC)c2[nH]cc(C)[nH+]2)cc1C[NH+]1CCCC1 ZINC000670470019 548220362 /nfs/dbraw/zinc/22/03/62/548220362.db2.gz ROVCRFLIVPDXDX-OAHLLOKOSA-N 2 2 344.459 3.350 50 0 EGAALP Cc1[nH]c2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[nH+]1 ZINC000097675417 219046933 /nfs/dbraw/zinc/04/69/33/219046933.db2.gz MQUJCRIRQGATIO-UHFFFAOYSA-N 2 2 329.448 3.302 50 0 EGAALP C[C@H](C1CC[NH+](Cc2ccc(F)c(F)c2F)CC1)[NH+]1CCOCC1 ZINC000072473011 216250906 /nfs/dbraw/zinc/25/09/06/216250906.db2.gz HYHUBTYVABEBIJ-CYBMUJFWSA-N 2 2 342.405 3.037 50 0 EGAALP COc1cccc(C[N@H+]2CC=C(C)CC2)c1OCCn1cc[nH+]c1 ZINC000215501639 241128880 /nfs/dbraw/zinc/12/88/80/241128880.db2.gz QBHYTZAZDMDSLP-UHFFFAOYSA-N 2 2 327.428 3.123 50 0 EGAALP COc1cccc(C[N@@H+]2CC=C(C)CC2)c1OCCn1cc[nH+]c1 ZINC000215501639 241128887 /nfs/dbraw/zinc/12/88/87/241128887.db2.gz QBHYTZAZDMDSLP-UHFFFAOYSA-N 2 2 327.428 3.123 50 0 EGAALP Cc1[nH]c2ccc(CNc3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)cc2[nH+]1 ZINC000244874838 243095594 /nfs/dbraw/zinc/09/55/94/243095594.db2.gz XIBKVDPUHMXCLI-SHTZXODSSA-N 2 2 348.454 3.356 50 0 EGAALP Cc1[nH]c2cc(CNc3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)ccc2[nH+]1 ZINC000244874838 243095599 /nfs/dbraw/zinc/09/55/99/243095599.db2.gz XIBKVDPUHMXCLI-SHTZXODSSA-N 2 2 348.454 3.356 50 0 EGAALP C[C@@H]1C[N@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C[C@H](C)O1 ZINC000095357954 218291972 /nfs/dbraw/zinc/29/19/72/218291972.db2.gz OXMKLMZEPITSJD-IYBDPMFKSA-N 2 2 325.456 3.313 50 0 EGAALP C[C@@H]1C[N@@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C[C@H](C)O1 ZINC000095357954 218291973 /nfs/dbraw/zinc/29/19/73/218291973.db2.gz OXMKLMZEPITSJD-IYBDPMFKSA-N 2 2 325.456 3.313 50 0 EGAALP CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000019795005 274189134 /nfs/dbraw/zinc/18/91/34/274189134.db2.gz OXKWGNVKKKORPQ-HNNXBMFYSA-N 2 2 332.513 3.397 50 0 EGAALP CSc1ccccc1C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000019795005 274189135 /nfs/dbraw/zinc/18/91/35/274189135.db2.gz OXKWGNVKKKORPQ-HNNXBMFYSA-N 2 2 332.513 3.397 50 0 EGAALP C[NH+](C)Cc1nnc(C2CC[NH+](Cc3cccs3)CC2)n1C1CC1 ZINC000082115917 453924467 /nfs/dbraw/zinc/92/44/67/453924467.db2.gz CRBPSVXSOPJXGP-UHFFFAOYSA-N 2 2 345.516 3.116 50 0 EGAALP CN(Cc1cccc(-n2cccn2)c1)c1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000077339182 454093500 /nfs/dbraw/zinc/09/35/00/454093500.db2.gz QHHMYYCYUMUFSX-UHFFFAOYSA-N 2 2 344.422 3.149 50 0 EGAALP Cc1ccc([C@@H]2CN(Cc3c[nH+]cn3CC(C)C)C[C@H]2[NH+](C)C)cc1 ZINC000077489524 454112092 /nfs/dbraw/zinc/11/20/92/454112092.db2.gz YBDZNAQCWRHLTJ-LEWJYISDSA-N 2 2 340.515 3.377 50 0 EGAALP Cc1[nH+]ccn1-c1ccccc1C[NH2+]Cc1nc(-c2ccco2)no1 ZINC000065451268 454569150 /nfs/dbraw/zinc/56/91/50/454569150.db2.gz FFEGOWIZTBGNME-UHFFFAOYSA-N 2 2 335.367 3.114 50 0 EGAALP Cc1ccccc1-c1cccc(C[NH+]2CCN3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000225321743 456076716 /nfs/dbraw/zinc/07/67/16/456076716.db2.gz LJZIALCJZPLFIH-NRFANRHFSA-N 2 2 335.495 3.094 50 0 EGAALP Cc1ccccc1-c1cccc(C[NH+]2CCN3CC[N@H+](C)C[C@H]3C2)c1 ZINC000225321743 456076720 /nfs/dbraw/zinc/07/67/20/456076720.db2.gz LJZIALCJZPLFIH-NRFANRHFSA-N 2 2 335.495 3.094 50 0 EGAALP Cc1ccccc1-c1cccc(C[N@H+]2CCN3CC[NH+](C)C[C@H]3C2)c1 ZINC000225321743 456076728 /nfs/dbraw/zinc/07/67/28/456076728.db2.gz LJZIALCJZPLFIH-NRFANRHFSA-N 2 2 335.495 3.094 50 0 EGAALP Cc1ccccc1-c1cccc(C[N@@H+]2CCN3CC[NH+](C)C[C@H]3C2)c1 ZINC000225321743 456076735 /nfs/dbraw/zinc/07/67/35/456076735.db2.gz LJZIALCJZPLFIH-NRFANRHFSA-N 2 2 335.495 3.094 50 0 EGAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CCO2 ZINC000067689054 215185854 /nfs/dbraw/zinc/18/58/54/215185854.db2.gz SUYVXVHLPBSHRL-MRXNPFEDSA-N 2 2 338.451 3.172 50 0 EGAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CCO2 ZINC000067689054 215185855 /nfs/dbraw/zinc/18/58/55/215185855.db2.gz SUYVXVHLPBSHRL-MRXNPFEDSA-N 2 2 338.451 3.172 50 0 EGAALP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000091696208 218050471 /nfs/dbraw/zinc/05/04/71/218050471.db2.gz UNWHCTMDYJWQSA-SFHVURJKSA-N 2 2 344.499 3.315 50 0 EGAALP CC(C)(C)OC(=O)[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000091696208 218050473 /nfs/dbraw/zinc/05/04/73/218050473.db2.gz UNWHCTMDYJWQSA-SFHVURJKSA-N 2 2 344.499 3.315 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000077408459 454102755 /nfs/dbraw/zinc/10/27/55/454102755.db2.gz AEBJMUIKYHZSOT-CQSZACIVSA-N 2 2 341.415 3.050 50 0 EGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000077408459 454102756 /nfs/dbraw/zinc/10/27/56/454102756.db2.gz AEBJMUIKYHZSOT-CQSZACIVSA-N 2 2 341.415 3.050 50 0 EGAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)[nH+]c1 ZINC000097200536 454422730 /nfs/dbraw/zinc/42/27/30/454422730.db2.gz SWFNFRWATQZJEN-MRXNPFEDSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)[nH+]c1 ZINC000097200536 454422734 /nfs/dbraw/zinc/42/27/34/454422734.db2.gz SWFNFRWATQZJEN-MRXNPFEDSA-N 2 2 335.455 3.211 50 0 EGAALP CCn1cc[nH+]c1CN(C)C(=O)c1cccc(-c2ccc(C)[nH+]c2N)c1 ZINC000426493156 457842360 /nfs/dbraw/zinc/84/23/60/457842360.db2.gz JLEBAFLGLFISCU-UHFFFAOYSA-N 2 2 349.438 3.128 50 0 EGAALP C[C@@H](c1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1)[NH+]1CCOCC1 ZINC000426578746 457857560 /nfs/dbraw/zinc/85/75/60/457857560.db2.gz OSGNDLTURVDORH-KRWDZBQOSA-N 2 2 348.450 3.387 50 0 EGAALP CCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1Cl ZINC000004820306 520597832 /nfs/dbraw/zinc/59/78/32/520597832.db2.gz HORIAQLQKFBEIE-UHFFFAOYSA-N 2 2 347.286 3.204 50 0 EGAALP O[C@@]1(c2ccccc2)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670445960 548217116 /nfs/dbraw/zinc/21/71/16/548217116.db2.gz CQCOIMLVGBOPAC-QFIPXVFZSA-N 2 2 336.479 3.245 50 0 EGAALP O[C@@]1(c2ccccc2)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670445960 548217120 /nfs/dbraw/zinc/21/71/20/548217120.db2.gz CQCOIMLVGBOPAC-QFIPXVFZSA-N 2 2 336.479 3.245 50 0 EGAALP OC[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000020600480 1291194449 /nfs/dbraw/zinc/19/44/49/1291194449.db2.gz XBBOCASXRIVUDZ-INIZCTEOSA-N 2 2 328.456 3.102 50 0 EGAALP OC[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000020600480 1291194451 /nfs/dbraw/zinc/19/44/51/1291194451.db2.gz XBBOCASXRIVUDZ-INIZCTEOSA-N 2 2 328.456 3.102 50 0 EGAALP CC[C@@H]1C=CC[N@@H+]1Cc1cccc(OC)c1OCCn1cc[nH+]c1 ZINC000952992219 1334632276 /nfs/dbraw/zinc/63/22/76/1334632276.db2.gz YPDRQNQLAKIXFP-QGZVFWFLSA-N 2 2 327.428 3.121 50 0 EGAALP CC[C@@H]1C=CC[N@H+]1Cc1cccc(OC)c1OCCn1cc[nH+]c1 ZINC000952992219 1334632278 /nfs/dbraw/zinc/63/22/78/1334632278.db2.gz YPDRQNQLAKIXFP-QGZVFWFLSA-N 2 2 327.428 3.121 50 0 EGAALP Cc1cc(=O)oc2cc(C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)ccc12 ZINC000067727019 215196639 /nfs/dbraw/zinc/19/66/39/215196639.db2.gz MIQXAZLQOAMYIF-QGZVFWFLSA-N 2 2 337.423 3.210 50 0 EGAALP C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000035268966 213016610 /nfs/dbraw/zinc/01/66/10/213016610.db2.gz KZMIFJXZFDHKGN-OAHLLOKOSA-N 2 2 325.412 3.376 50 0 EGAALP c1cn(-c2ccc(C[NH+]3CCC(OCc4cccnc4)CC3)cc2)c[nH+]1 ZINC000072156553 216045094 /nfs/dbraw/zinc/04/50/94/216045094.db2.gz PCTJNSAODBDLIT-UHFFFAOYSA-N 2 2 348.450 3.449 50 0 EGAALP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@](CO)(C[NH+](C)C)C3)c2)o1 ZINC000216104023 241164733 /nfs/dbraw/zinc/16/47/33/241164733.db2.gz VMCZTGZIRSDWGR-NRFANRHFSA-N 2 2 342.483 3.391 50 0 EGAALP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@](CO)(C[NH+](C)C)C3)c2)o1 ZINC000216104023 241164737 /nfs/dbraw/zinc/16/47/37/241164737.db2.gz VMCZTGZIRSDWGR-NRFANRHFSA-N 2 2 342.483 3.391 50 0 EGAALP Cc1ccc[nH+]c1N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095377052 218310007 /nfs/dbraw/zinc/31/00/07/218310007.db2.gz PEXHRNGIQPTRIM-KRWDZBQOSA-N 2 2 333.439 3.414 50 0 EGAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000095385225 218317209 /nfs/dbraw/zinc/31/72/09/218317209.db2.gz RENBMNGQWRQQOK-QGZVFWFLSA-N 2 2 346.519 3.264 50 0 EGAALP COCCC[N@H+](Cc1cccc2ncccc12)C1CC[NH+](C)CC1 ZINC000072430437 454296325 /nfs/dbraw/zinc/29/63/25/454296325.db2.gz NOOKYBBZTHERJP-UHFFFAOYSA-N 2 2 327.472 3.168 50 0 EGAALP COCCC[N@@H+](Cc1cccc2ncccc12)C1CC[NH+](C)CC1 ZINC000072430437 454296331 /nfs/dbraw/zinc/29/63/31/454296331.db2.gz NOOKYBBZTHERJP-UHFFFAOYSA-N 2 2 327.472 3.168 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000097200542 454422634 /nfs/dbraw/zinc/42/26/34/454422634.db2.gz CIWPKEFTDGLFDT-UONOGXRCSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000097200542 454422640 /nfs/dbraw/zinc/42/26/40/454422640.db2.gz CIWPKEFTDGLFDT-UONOGXRCSA-N 2 2 327.432 3.145 50 0 EGAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]c1 ZINC000097200763 454422840 /nfs/dbraw/zinc/42/28/40/454422840.db2.gz ATXOQSVETBCFET-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)[nH+]c1 ZINC000097200763 454422841 /nfs/dbraw/zinc/42/28/41/454422841.db2.gz ATXOQSVETBCFET-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000670453104 548218645 /nfs/dbraw/zinc/21/86/45/548218645.db2.gz SVNIAKDYPDHKMU-OAHLLOKOSA-N 3 2 346.906 3.488 50 0 EGAALP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cc2nsnc12 ZINC000015076704 1291145576 /nfs/dbraw/zinc/14/55/76/1291145576.db2.gz CPKOEQHWGYJMAJ-LJQANCHMSA-N 2 2 342.512 3.389 50 0 EGAALP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc2nsnc12 ZINC000015076704 1291145580 /nfs/dbraw/zinc/14/55/80/1291145580.db2.gz CPKOEQHWGYJMAJ-LJQANCHMSA-N 2 2 342.512 3.389 50 0 EGAALP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc2nsnc12 ZINC000015076704 1291145585 /nfs/dbraw/zinc/14/55/85/1291145585.db2.gz CPKOEQHWGYJMAJ-LJQANCHMSA-N 2 2 342.512 3.389 50 0 EGAALP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc2nsnc12 ZINC000015076704 1291145587 /nfs/dbraw/zinc/14/55/87/1291145587.db2.gz CPKOEQHWGYJMAJ-LJQANCHMSA-N 2 2 342.512 3.389 50 0 EGAALP Cc1[nH]c(CN(CC[NH+](C)C)Cc2ccc([C@@H]3CCCCO3)o2)c[nH+]1 ZINC001704330080 1416445866 /nfs/dbraw/zinc/44/58/66/1416445866.db2.gz WKOVGIIFAIMTIT-SFHVURJKSA-N 2 2 346.475 3.117 50 0 EGAALP Cc1[nH]cc(CN(CC[NH+](C)C)Cc2ccc([C@@H]3CCCCO3)o2)[nH+]1 ZINC001704330080 1416445869 /nfs/dbraw/zinc/44/58/69/1416445869.db2.gz WKOVGIIFAIMTIT-SFHVURJKSA-N 2 2 346.475 3.117 50 0 EGAALP CCn1cc[nH+]c1CN(C)c1cc(C)c2cc(OC)c(OC)cc2[nH+]1 ZINC000055568724 214331072 /nfs/dbraw/zinc/33/10/72/214331072.db2.gz DBRLSAJICBHVNN-UHFFFAOYSA-N 2 2 340.427 3.413 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000072407151 216197819 /nfs/dbraw/zinc/19/78/19/216197819.db2.gz OEGHRTFGFUAUPL-INIZCTEOSA-N 2 2 333.524 3.027 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000072407151 216197822 /nfs/dbraw/zinc/19/78/22/216197822.db2.gz OEGHRTFGFUAUPL-INIZCTEOSA-N 2 2 333.524 3.027 50 0 EGAALP O[C@H]1C[C@@H]([C@@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)c2cccs2)C1 ZINC000243893149 243028809 /nfs/dbraw/zinc/02/88/09/243028809.db2.gz AOMCMDMNYGLRBK-SIXWZSSISA-N 2 2 346.496 3.407 50 0 EGAALP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074481 453555337 /nfs/dbraw/zinc/55/53/37/453555337.db2.gz UKVRBZCOHLSBDJ-SFHVURJKSA-N 2 2 340.870 3.413 50 0 EGAALP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074481 453555339 /nfs/dbraw/zinc/55/53/39/453555339.db2.gz UKVRBZCOHLSBDJ-SFHVURJKSA-N 2 2 340.870 3.413 50 0 EGAALP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074481 453555341 /nfs/dbraw/zinc/55/53/41/453555341.db2.gz UKVRBZCOHLSBDJ-SFHVURJKSA-N 2 2 340.870 3.413 50 0 EGAALP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000015074481 453555343 /nfs/dbraw/zinc/55/53/43/453555343.db2.gz UKVRBZCOHLSBDJ-SFHVURJKSA-N 2 2 340.870 3.413 50 0 EGAALP O[C@@H](Cn1cc[nH+]c1-c1ccc(Cl)cc1)C[NH+]1CCCCCC1 ZINC000082106244 453923694 /nfs/dbraw/zinc/92/36/94/453923694.db2.gz UWVFRPSRSZJJGP-QGZVFWFLSA-N 2 2 333.863 3.440 50 0 EGAALP Cc1cccn2c(CNC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)c[nH+]c12 ZINC000071746042 454212112 /nfs/dbraw/zinc/21/21/12/454212112.db2.gz QPWZBZNFWMXLBV-AWEZNQCLSA-N 2 2 340.452 3.059 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000097200717 454423217 /nfs/dbraw/zinc/42/32/17/454423217.db2.gz YWANRFBKVPIUNJ-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000097200717 454423223 /nfs/dbraw/zinc/42/32/23/454423223.db2.gz YWANRFBKVPIUNJ-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP C[C@@H](CCNC(=O)C1([NH+]2CCCCC2)CCCCC1)n1cc[nH+]c1 ZINC000222705184 456049535 /nfs/dbraw/zinc/04/95/35/456049535.db2.gz WETAAIHFAJBIAA-KRWDZBQOSA-N 2 2 332.492 3.139 50 0 EGAALP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237697099 547257556 /nfs/dbraw/zinc/25/75/56/547257556.db2.gz MIXXOAYDBCWWDA-QFBILLFUSA-N 2 2 338.451 3.210 50 0 EGAALP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237697099 547257560 /nfs/dbraw/zinc/25/75/60/547257560.db2.gz MIXXOAYDBCWWDA-QFBILLFUSA-N 2 2 338.451 3.210 50 0 EGAALP CCc1[nH]c(C[NH2+]CCc2c(C)[nH]c3ccc(OC)cc32)c(C)[nH+]1 ZINC000003620686 210067755 /nfs/dbraw/zinc/06/77/55/210067755.db2.gz FXIFQSYFLRCHBZ-UHFFFAOYSA-N 2 2 326.444 3.411 50 0 EGAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000067459915 215149300 /nfs/dbraw/zinc/14/93/00/215149300.db2.gz BEGWZQHISUPWHZ-ZDUSSCGKSA-N 2 2 327.407 3.003 50 0 EGAALP CSc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)c1 ZINC000215123721 241108210 /nfs/dbraw/zinc/10/82/10/241108210.db2.gz ROQLEUZUMZCZGN-QGZVFWFLSA-N 2 2 334.529 3.077 50 0 EGAALP CSc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)c1 ZINC000215123721 241108220 /nfs/dbraw/zinc/10/82/20/241108220.db2.gz ROQLEUZUMZCZGN-QGZVFWFLSA-N 2 2 334.529 3.077 50 0 EGAALP C[N@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C1CCCCC1 ZINC000219348268 241382768 /nfs/dbraw/zinc/38/27/68/241382768.db2.gz TYPQYEABXNHKOR-UHFFFAOYSA-N 2 2 332.488 3.162 50 0 EGAALP C[N@@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C1CCCCC1 ZINC000219348268 241382773 /nfs/dbraw/zinc/38/27/73/241382773.db2.gz TYPQYEABXNHKOR-UHFFFAOYSA-N 2 2 332.488 3.162 50 0 EGAALP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)ncc32)n1C ZINC000011935787 211271706 /nfs/dbraw/zinc/27/17/06/211271706.db2.gz TYLLNVTXMBAADT-SFHVURJKSA-N 2 2 333.439 3.353 50 0 EGAALP CCCCn1cc[nH+]c1C1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000091595454 218029263 /nfs/dbraw/zinc/02/92/63/218029263.db2.gz JARLPGBPIWMIEK-UHFFFAOYSA-N 2 2 346.519 3.265 50 0 EGAALP C[NH+](C)[C@H](C(=O)NC(C)(C)C[NH+]1CCCCCC1)c1ccccc1F ZINC000092045951 218111005 /nfs/dbraw/zinc/11/10/05/218111005.db2.gz LIXBUTOVJQVEPQ-SFHVURJKSA-N 2 2 349.494 3.199 50 0 EGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000095498153 454221337 /nfs/dbraw/zinc/22/13/37/454221337.db2.gz ROWAQDSGNRAOND-GOSISDBHSA-N 2 2 346.519 3.121 50 0 EGAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)Cc1c(Cl)ccc(C)c1F ZINC001704324536 1416444723 /nfs/dbraw/zinc/44/47/23/1416444723.db2.gz ANMWGHSOLNSRIO-UHFFFAOYSA-N 2 2 338.858 3.383 50 0 EGAALP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000055252632 214295658 /nfs/dbraw/zinc/29/56/58/214295658.db2.gz VVVZZFPAHRYHDR-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000055252632 214295660 /nfs/dbraw/zinc/29/56/60/214295660.db2.gz VVVZZFPAHRYHDR-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252632 214295663 /nfs/dbraw/zinc/29/56/63/214295663.db2.gz VVVZZFPAHRYHDR-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP Fc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252632 214295667 /nfs/dbraw/zinc/29/56/67/214295667.db2.gz VVVZZFPAHRYHDR-FQEVSTJZSA-N 2 2 332.463 3.293 50 0 EGAALP CN(C)c1cc(NC(=O)C[NH2+]C2CCCCC2)c2ccccc2[nH+]1 ZINC000004018671 210101156 /nfs/dbraw/zinc/10/11/56/210101156.db2.gz SCRNNWYHBJUUMB-UHFFFAOYSA-N 2 2 326.444 3.162 50 0 EGAALP Fc1c[nH+]ccc1N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091574250 218023556 /nfs/dbraw/zinc/02/35/56/218023556.db2.gz FRRIHXZJYWNVIH-UHFFFAOYSA-N 2 2 343.431 3.306 50 0 EGAALP Fc1c[nH+]ccc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095384902 218316374 /nfs/dbraw/zinc/31/63/74/218316374.db2.gz CSTWZQPFQROEBE-HNNXBMFYSA-N 2 2 337.402 3.245 50 0 EGAALP Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@@H+](C)C1CC[NH+](C)CC1)c2=O ZINC000008717430 453226663 /nfs/dbraw/zinc/22/66/63/453226663.db2.gz AUAYGJOWVZKOBH-UHFFFAOYSA-N 2 2 327.472 3.392 50 0 EGAALP Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+](C)C1CC[NH+](C)CC1)c2=O ZINC000008717430 453226668 /nfs/dbraw/zinc/22/66/68/453226668.db2.gz AUAYGJOWVZKOBH-UHFFFAOYSA-N 2 2 327.472 3.392 50 0 EGAALP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071104 453554533 /nfs/dbraw/zinc/55/45/33/453554533.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071104 453554541 /nfs/dbraw/zinc/55/45/41/453554541.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071104 453554548 /nfs/dbraw/zinc/55/45/48/453554548.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071104 453554554 /nfs/dbraw/zinc/55/45/54/453554554.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1cc(C)[nH+]c(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095523238 454227737 /nfs/dbraw/zinc/22/77/37/454227737.db2.gz TYSGJUYGZMILIW-SFHVURJKSA-N 3 2 341.503 3.231 50 0 EGAALP Cc1cc(C)c(CNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c[nH+]1 ZINC000095523455 454228237 /nfs/dbraw/zinc/22/82/37/454228237.db2.gz GFNQFYZUODRTQB-PKOBYXMFSA-N 2 2 329.488 3.359 50 0 EGAALP Cc1cc(C)c(CNC(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c[nH+]1 ZINC000095523455 454228241 /nfs/dbraw/zinc/22/82/41/454228241.db2.gz GFNQFYZUODRTQB-PKOBYXMFSA-N 2 2 329.488 3.359 50 0 EGAALP Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)[nH+]c1 ZINC000095528141 454228590 /nfs/dbraw/zinc/22/85/90/454228590.db2.gz GZARECZHPUHDPI-HNNXBMFYSA-N 2 2 339.468 3.475 50 0 EGAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067909550 215249098 /nfs/dbraw/zinc/24/90/98/215249098.db2.gz CCRXXYYTQMZQFQ-KRWDZBQOSA-N 2 2 338.455 3.213 50 0 EGAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067909550 215249102 /nfs/dbraw/zinc/24/91/02/215249102.db2.gz CCRXXYYTQMZQFQ-KRWDZBQOSA-N 2 2 338.455 3.213 50 0 EGAALP CC(C)Oc1cc(N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)nc(N)[nH+]1 ZINC000095388333 218321065 /nfs/dbraw/zinc/32/10/65/218321065.db2.gz YCNITDNNXOTURW-CQSZACIVSA-N 2 2 344.463 3.007 50 0 EGAALP c1[nH+]cn(Cc2ccccc2)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000244724018 455275407 /nfs/dbraw/zinc/27/54/07/455275407.db2.gz MMDBDBPDCZWKPT-UHFFFAOYSA-N 2 2 338.499 3.382 50 0 EGAALP c1csc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)c1 ZINC000000809684 452638007 /nfs/dbraw/zinc/63/80/07/452638007.db2.gz RJOYCPFKDMREBK-UHFFFAOYSA-N 2 2 342.468 3.042 50 0 EGAALP CCCNc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC000077458742 454108436 /nfs/dbraw/zinc/10/84/36/454108436.db2.gz FUUWURXOHUAUIU-GOSISDBHSA-N 2 2 331.508 3.139 50 0 EGAALP CCCNc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC000077458742 454108439 /nfs/dbraw/zinc/10/84/39/454108439.db2.gz FUUWURXOHUAUIU-GOSISDBHSA-N 2 2 331.508 3.139 50 0 EGAALP c1csc(-c2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)c1 ZINC000097200577 454424118 /nfs/dbraw/zinc/42/41/18/454424118.db2.gz AFSHASZUNSYCAC-ZDUSSCGKSA-N 2 2 341.440 3.127 50 0 EGAALP c1csc(-c2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)c1 ZINC000097200577 454424125 /nfs/dbraw/zinc/42/41/25/454424125.db2.gz AFSHASZUNSYCAC-ZDUSSCGKSA-N 2 2 341.440 3.127 50 0 EGAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065502469 454579885 /nfs/dbraw/zinc/57/98/85/454579885.db2.gz CMFJCMGEDUZSHV-KRWDZBQOSA-N 2 2 346.519 3.202 50 0 EGAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000065502469 454579889 /nfs/dbraw/zinc/57/98/89/454579889.db2.gz CMFJCMGEDUZSHV-KRWDZBQOSA-N 2 2 346.519 3.202 50 0 EGAALP C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000584892361 459819564 /nfs/dbraw/zinc/81/95/64/459819564.db2.gz KDDKYEZRZSCLMF-PBHICJAKSA-N 2 2 335.442 3.102 50 0 EGAALP C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000584892361 459819570 /nfs/dbraw/zinc/81/95/70/459819570.db2.gz KDDKYEZRZSCLMF-PBHICJAKSA-N 2 2 335.442 3.102 50 0 EGAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000584892361 459819574 /nfs/dbraw/zinc/81/95/74/459819574.db2.gz KDDKYEZRZSCLMF-PBHICJAKSA-N 2 2 335.442 3.102 50 0 EGAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000584892361 459819580 /nfs/dbraw/zinc/81/95/80/459819580.db2.gz KDDKYEZRZSCLMF-PBHICJAKSA-N 2 2 335.442 3.102 50 0 EGAALP CCc1[nH]nc(Cl)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000585137130 459828848 /nfs/dbraw/zinc/82/88/48/459828848.db2.gz JQWFYQOCDXQHKX-ZDUSSCGKSA-N 2 2 347.894 3.336 50 0 EGAALP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cc2nsnc12 ZINC000015076706 1291145440 /nfs/dbraw/zinc/14/54/40/1291145440.db2.gz CPKOEQHWGYJMAJ-IBGZPJMESA-N 2 2 342.512 3.389 50 0 EGAALP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc2nsnc12 ZINC000015076706 1291145444 /nfs/dbraw/zinc/14/54/44/1291145444.db2.gz CPKOEQHWGYJMAJ-IBGZPJMESA-N 2 2 342.512 3.389 50 0 EGAALP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc2nsnc12 ZINC000015076706 1291145448 /nfs/dbraw/zinc/14/54/48/1291145448.db2.gz CPKOEQHWGYJMAJ-IBGZPJMESA-N 2 2 342.512 3.389 50 0 EGAALP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc2nsnc12 ZINC000015076706 1291145453 /nfs/dbraw/zinc/14/54/53/1291145453.db2.gz CPKOEQHWGYJMAJ-IBGZPJMESA-N 2 2 342.512 3.389 50 0 EGAALP CCc1oc(C(=O)N(CC)Cc2[nH+]ccn2C)cc1C[NH+](CC)CC ZINC000055099500 214271668 /nfs/dbraw/zinc/27/16/68/214271668.db2.gz FXPOCWALEUVOTE-UHFFFAOYSA-N 2 2 346.475 3.080 50 0 EGAALP c1cnn(-c2cccc(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)c2)c1 ZINC000067603957 215167707 /nfs/dbraw/zinc/16/77/07/215167707.db2.gz DQXAMDIEDDBEFR-UHFFFAOYSA-N 2 2 347.466 3.022 50 0 EGAALP C[NH+](C)Cc1cncc(Oc2cc(F)c(C[NH+]3CCCC3)c(F)c2)n1 ZINC000067884004 215240917 /nfs/dbraw/zinc/24/09/17/215240917.db2.gz UFJJLZRWYUUMIJ-UHFFFAOYSA-N 2 2 348.397 3.205 50 0 EGAALP c1cn(CC2CC[NH+](Cc3ccccc3)CC2)c([C@@H]2CCOC2)[nH+]1 ZINC000072148109 216035578 /nfs/dbraw/zinc/03/55/78/216035578.db2.gz FUPFPZXCZYOHRX-LJQANCHMSA-N 2 2 325.456 3.299 50 0 EGAALP CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000216328958 241184031 /nfs/dbraw/zinc/18/40/31/241184031.db2.gz ZENVUPGPASKPHD-QGZVFWFLSA-N 2 2 349.862 3.226 50 0 EGAALP CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000216328958 241184037 /nfs/dbraw/zinc/18/40/37/241184037.db2.gz ZENVUPGPASKPHD-QGZVFWFLSA-N 2 2 349.862 3.226 50 0 EGAALP C[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000215383599 241123886 /nfs/dbraw/zinc/12/38/86/241123886.db2.gz YCXJWIVBIMSCSZ-AZUAARDMSA-N 2 2 337.467 3.187 50 0 EGAALP C[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000215383599 241123891 /nfs/dbraw/zinc/12/38/91/241123891.db2.gz YCXJWIVBIMSCSZ-AZUAARDMSA-N 2 2 337.467 3.187 50 0 EGAALP C[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000215383599 241123894 /nfs/dbraw/zinc/12/38/94/241123894.db2.gz YCXJWIVBIMSCSZ-AZUAARDMSA-N 2 2 337.467 3.187 50 0 EGAALP C[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000215383599 241123896 /nfs/dbraw/zinc/12/38/96/241123896.db2.gz YCXJWIVBIMSCSZ-AZUAARDMSA-N 2 2 337.467 3.187 50 0 EGAALP C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)nc1)C[C@H]1CCC[NH2+]C1 ZINC000097475087 219028645 /nfs/dbraw/zinc/02/86/45/219028645.db2.gz URFSFOQUUMSJSI-AWEZNQCLSA-N 2 2 330.863 3.228 50 0 EGAALP C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)nc1)C[C@H]1CCC[NH2+]C1 ZINC000097475087 219028647 /nfs/dbraw/zinc/02/86/47/219028647.db2.gz URFSFOQUUMSJSI-AWEZNQCLSA-N 2 2 330.863 3.228 50 0 EGAALP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000097495099 219029526 /nfs/dbraw/zinc/02/95/26/219029526.db2.gz KNPVKNUVCDQZQP-AWEZNQCLSA-N 2 2 330.863 3.228 50 0 EGAALP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000097495099 219029527 /nfs/dbraw/zinc/02/95/27/219029527.db2.gz KNPVKNUVCDQZQP-AWEZNQCLSA-N 2 2 330.863 3.228 50 0 EGAALP Cc1cc(C)[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095523239 291874071 /nfs/dbraw/zinc/87/40/71/291874071.db2.gz TYSGJUYGZMILIW-GOSISDBHSA-N 3 2 341.503 3.231 50 0 EGAALP CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000244734651 455277277 /nfs/dbraw/zinc/27/72/77/455277277.db2.gz NJMXBIXNKUHCNP-SFHVURJKSA-N 2 2 327.472 3.493 50 0 EGAALP CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000244734651 455277283 /nfs/dbraw/zinc/27/72/83/455277283.db2.gz NJMXBIXNKUHCNP-SFHVURJKSA-N 2 2 327.472 3.493 50 0 EGAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(NC(=O)c3ccco3)ccc2n1C ZINC000006665395 452966767 /nfs/dbraw/zinc/96/67/67/452966767.db2.gz FBHWLBMAODYQFL-UHFFFAOYSA-N 2 2 349.394 3.166 50 0 EGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000082086995 453922089 /nfs/dbraw/zinc/92/20/89/453922089.db2.gz YZTVKVDEQBWWIJ-UHFFFAOYSA-N 2 2 345.535 3.406 50 0 EGAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000082096568 453923033 /nfs/dbraw/zinc/92/30/33/453923033.db2.gz IQDMBABFZJZQTE-LBPRGKRZSA-N 2 2 333.819 3.182 50 0 EGAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000082096568 453923036 /nfs/dbraw/zinc/92/30/36/453923036.db2.gz IQDMBABFZJZQTE-LBPRGKRZSA-N 2 2 333.819 3.182 50 0 EGAALP CN(C[C@H]1CCN(c2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000082139659 453926082 /nfs/dbraw/zinc/92/60/82/453926082.db2.gz YFXGJTMVICUSIP-LJQANCHMSA-N 2 2 347.466 3.289 50 0 EGAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000095504810 454223894 /nfs/dbraw/zinc/22/38/94/454223894.db2.gz RGVUDIJCNXRGMP-QGZVFWFLSA-N 3 2 349.482 3.377 50 0 EGAALP CCc1cc(N2CCC([N@@H+]3CCc4sccc4C3)CC2)nc(C)[nH+]1 ZINC000095506576 454224107 /nfs/dbraw/zinc/22/41/07/454224107.db2.gz JSIUKVKPHPGGIE-UHFFFAOYSA-N 2 2 342.512 3.436 50 0 EGAALP CCc1cc(N2CCC([N@H+]3CCc4sccc4C3)CC2)nc(C)[nH+]1 ZINC000095506576 454224113 /nfs/dbraw/zinc/22/41/13/454224113.db2.gz JSIUKVKPHPGGIE-UHFFFAOYSA-N 2 2 342.512 3.436 50 0 EGAALP Fc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091575460 454446427 /nfs/dbraw/zinc/44/64/27/454446427.db2.gz NOFHIAROIFPHMA-MRXNPFEDSA-N 2 2 337.402 3.245 50 0 EGAALP Cc1c[nH]c(CN(C)C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)[nH+]1 ZINC000534673780 459346144 /nfs/dbraw/zinc/34/61/44/459346144.db2.gz BGPGCTBXVBYCEF-UHFFFAOYSA-N 2 2 347.507 3.048 50 0 EGAALP C[NH+]1CCC(OCCCn2cc[nH+]c2-c2ccc(O)c(Cl)c2)CC1 ZINC000067856091 215233177 /nfs/dbraw/zinc/23/31/77/215233177.db2.gz QNDFRLBEDURXSW-UHFFFAOYSA-N 2 2 349.862 3.410 50 0 EGAALP COc1ccc(F)c(-c2nc(C[N@H+](C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067934265 215252966 /nfs/dbraw/zinc/25/29/66/215252966.db2.gz GLAALTCTQMQZNE-CQSZACIVSA-N 2 2 347.434 3.229 50 0 EGAALP COc1ccc(F)c(-c2nc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067934265 215252970 /nfs/dbraw/zinc/25/29/70/215252970.db2.gz GLAALTCTQMQZNE-CQSZACIVSA-N 2 2 347.434 3.229 50 0 EGAALP Cc1ccc[nH+]c1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072122614 216015001 /nfs/dbraw/zinc/01/50/01/216015001.db2.gz YQVFZURMQNQJQV-UHFFFAOYSA-N 2 2 339.468 3.164 50 0 EGAALP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000091696207 218050610 /nfs/dbraw/zinc/05/06/10/218050610.db2.gz UNWHCTMDYJWQSA-GOSISDBHSA-N 2 2 344.499 3.315 50 0 EGAALP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000091696207 218050612 /nfs/dbraw/zinc/05/06/12/218050612.db2.gz UNWHCTMDYJWQSA-GOSISDBHSA-N 2 2 344.499 3.315 50 0 EGAALP Cc1ccc[nH+]c1N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091849066 218077413 /nfs/dbraw/zinc/07/74/13/218077413.db2.gz UORGXIFVWFSQOF-SFHVURJKSA-N 2 2 333.439 3.414 50 0 EGAALP c1cc2c(nc[nH+]c2N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095358095 218291937 /nfs/dbraw/zinc/29/19/37/218291937.db2.gz FROZZNIPSZWQPR-IAGOWNOFSA-N 2 2 333.439 3.059 50 0 EGAALP c1cc2c(nc[nH+]c2N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095358095 218291939 /nfs/dbraw/zinc/29/19/39/218291939.db2.gz FROZZNIPSZWQPR-IAGOWNOFSA-N 2 2 333.439 3.059 50 0 EGAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097547402 219034388 /nfs/dbraw/zinc/03/43/88/219034388.db2.gz DKZUCLSNUDZLGS-MRXNPFEDSA-N 2 2 337.427 3.118 50 0 EGAALP Cc1ccc2c(C)cc(N3CC[NH+](C4CCOCC4)CC3)[nH+]c2c1C ZINC000067818486 453968945 /nfs/dbraw/zinc/96/89/45/453968945.db2.gz PKQQURXQPDSYNU-UHFFFAOYSA-N 2 2 339.483 3.461 50 0 EGAALP CCCc1nc(N2CC[NH+](Cc3ccc(CC)cn3)CC2)cc(C)[nH+]1 ZINC000065490874 454576863 /nfs/dbraw/zinc/57/68/63/454576863.db2.gz QQKRDFSIYCSBEC-UHFFFAOYSA-N 2 2 339.487 3.017 50 0 EGAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065502464 454579154 /nfs/dbraw/zinc/57/91/54/454579154.db2.gz CMFJCMGEDUZSHV-QGZVFWFLSA-N 2 2 346.519 3.202 50 0 EGAALP CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000065502464 454579158 /nfs/dbraw/zinc/57/91/58/454579158.db2.gz CMFJCMGEDUZSHV-QGZVFWFLSA-N 2 2 346.519 3.202 50 0 EGAALP Cc1ccccc1-c1noc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)C)n1 ZINC000065509055 454580572 /nfs/dbraw/zinc/58/05/72/454580572.db2.gz JELBWASLNKPROO-INIZCTEOSA-N 2 2 325.416 3.056 50 0 EGAALP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000010435309 1291113537 /nfs/dbraw/zinc/11/35/37/1291113537.db2.gz UKGQCOISFBCPQM-UHFFFAOYSA-N 2 2 340.467 3.458 50 0 EGAALP CC[NH+]1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000023282941 1291233853 /nfs/dbraw/zinc/23/38/53/1291233853.db2.gz YPRXYXQTKCSIHX-UHFFFAOYSA-N 2 2 341.421 3.312 50 0 EGAALP CC[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001704342413 1416449443 /nfs/dbraw/zinc/44/94/43/1416449443.db2.gz BUCXTKFTKLYLIS-YZGWKJHDSA-N 2 2 325.456 3.245 50 0 EGAALP CC[C@@]1(O)CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001704342413 1416449445 /nfs/dbraw/zinc/44/94/45/1416449445.db2.gz BUCXTKFTKLYLIS-YZGWKJHDSA-N 2 2 325.456 3.245 50 0 EGAALP CCc1[nH]c2ccc(NC(=O)NCCC34CCC[NH+]3CCC4)cc2[nH+]1 ZINC000097655592 219044971 /nfs/dbraw/zinc/04/49/71/219044971.db2.gz TVHAZNWXVZCGOS-UHFFFAOYSA-N 2 2 341.459 3.265 50 0 EGAALP C[C@H](c1cccc(-c2cc(N3CCCC3)nc(N)[nH+]2)c1)[NH+]1CCCC1 ZINC000097823357 219058976 /nfs/dbraw/zinc/05/89/76/219058976.db2.gz PJQISVCHUSLDRT-OAHLLOKOSA-N 2 2 337.471 3.483 50 0 EGAALP c1ccc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)cc1 ZINC000004345406 210176134 /nfs/dbraw/zinc/17/61/34/210176134.db2.gz WHLSBAKUOAJCDG-UHFFFAOYSA-N 2 2 340.467 3.078 50 0 EGAALP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067789309 215213295 /nfs/dbraw/zinc/21/32/95/215213295.db2.gz UKFJCXAIEDHKOX-OAHLLOKOSA-N 2 2 329.444 3.056 50 0 EGAALP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067789309 215213299 /nfs/dbraw/zinc/21/32/99/215213299.db2.gz UKFJCXAIEDHKOX-OAHLLOKOSA-N 2 2 329.444 3.056 50 0 EGAALP C[NH+](C)Cc1csc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000072121757 216014574 /nfs/dbraw/zinc/01/45/74/216014574.db2.gz IWOCLAZHFSSKAJ-UHFFFAOYSA-N 2 2 347.503 3.267 50 0 EGAALP C[NH+](C)Cc1csc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000072121757 216014579 /nfs/dbraw/zinc/01/45/79/216014579.db2.gz IWOCLAZHFSSKAJ-UHFFFAOYSA-N 2 2 347.503 3.267 50 0 EGAALP C[C@H](C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1)n1cc[nH+]c1 ZINC000072462939 216244789 /nfs/dbraw/zinc/24/47/89/216244789.db2.gz URSDDPQLTPNXLF-QGZVFWFLSA-N 2 2 332.492 3.091 50 0 EGAALP Cn1c(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)cc2cc(F)ccc21 ZINC000215752161 241143287 /nfs/dbraw/zinc/14/32/87/241143287.db2.gz XECYTKZAKKDXPB-UHFFFAOYSA-N 2 2 326.419 3.426 50 0 EGAALP CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000019795004 212069379 /nfs/dbraw/zinc/06/93/79/212069379.db2.gz OXKWGNVKKKORPQ-OAHLLOKOSA-N 2 2 332.513 3.397 50 0 EGAALP CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000019795004 212069380 /nfs/dbraw/zinc/06/93/80/212069380.db2.gz OXKWGNVKKKORPQ-OAHLLOKOSA-N 2 2 332.513 3.397 50 0 EGAALP OC[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091535444 218019102 /nfs/dbraw/zinc/01/91/02/218019102.db2.gz QGEOXNCHYSNTRU-HZPDHXFCSA-N 2 2 340.870 3.005 50 0 EGAALP OC[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091535444 218019103 /nfs/dbraw/zinc/01/91/03/218019103.db2.gz QGEOXNCHYSNTRU-HZPDHXFCSA-N 2 2 340.870 3.005 50 0 EGAALP Fc1c[nH+]ccc1N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091586492 218025686 /nfs/dbraw/zinc/02/56/86/218025686.db2.gz QQODKFNOGZBKOY-UHFFFAOYSA-N 2 2 337.402 3.245 50 0 EGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000095357917 218291901 /nfs/dbraw/zinc/29/19/01/218291901.db2.gz BIERJTLXYFKSPV-QGZVFWFLSA-N 2 2 332.492 3.046 50 0 EGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000095357917 218291904 /nfs/dbraw/zinc/29/19/04/218291904.db2.gz BIERJTLXYFKSPV-QGZVFWFLSA-N 2 2 332.492 3.046 50 0 EGAALP CCN1CC[NH+](CCOc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000222408418 279357934 /nfs/dbraw/zinc/35/79/34/279357934.db2.gz RUHCJCXLQNYRST-UHFFFAOYSA-N 2 2 345.531 3.079 50 0 EGAALP C1=CC[C@@H](C[N@@H+]2CCOc3ccc(C[NH+]4CCOCC4)cc3C2)CC1 ZINC000014992939 453550763 /nfs/dbraw/zinc/55/07/63/453550763.db2.gz ZSPADRMKCPSSEA-GOSISDBHSA-N 2 2 342.483 3.070 50 0 EGAALP C1=CC[C@@H](C[N@H+]2CCOc3ccc(C[NH+]4CCOCC4)cc3C2)CC1 ZINC000014992939 453550766 /nfs/dbraw/zinc/55/07/66/453550766.db2.gz ZSPADRMKCPSSEA-GOSISDBHSA-N 2 2 342.483 3.070 50 0 EGAALP CCc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(N2CCCCC2)[nH+]1 ZINC000077320918 454091398 /nfs/dbraw/zinc/09/13/98/454091398.db2.gz CIBWBFQGJNFNTK-OAHLLOKOSA-N 2 2 340.475 3.136 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)c1 ZINC000097200679 454424133 /nfs/dbraw/zinc/42/41/33/454424133.db2.gz FQZPWGUNCCGGAT-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)c1 ZINC000097200679 454424135 /nfs/dbraw/zinc/42/41/35/454424135.db2.gz FQZPWGUNCCGGAT-INIZCTEOSA-N 2 2 349.438 3.374 50 0 EGAALP Cc1ccc[nH+]c1N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091325997 454427699 /nfs/dbraw/zinc/42/76/99/454427699.db2.gz YOWAJBULCQWRMC-SFHVURJKSA-N 2 2 333.439 3.414 50 0 EGAALP Cc1c[nH+]c(NCC[C@H]2CCCC[N@@H+]2C2CCCC2)nc1N(C)C ZINC001704353371 1416453755 /nfs/dbraw/zinc/45/37/55/1416453755.db2.gz UWYWWUFBIUTGQP-QGZVFWFLSA-N 2 2 331.508 3.450 50 0 EGAALP Cc1c[nH+]c(NCC[C@H]2CCCC[N@H+]2C2CCCC2)nc1N(C)C ZINC001704353371 1416453757 /nfs/dbraw/zinc/45/37/57/1416453757.db2.gz UWYWWUFBIUTGQP-QGZVFWFLSA-N 2 2 331.508 3.450 50 0 EGAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000067459917 215149799 /nfs/dbraw/zinc/14/97/99/215149799.db2.gz BEGWZQHISUPWHZ-CYBMUJFWSA-N 2 2 327.407 3.003 50 0 EGAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](Nc3nc(N)cc[nH+]3)C2)cc1 ZINC000072423021 216212297 /nfs/dbraw/zinc/21/22/97/216212297.db2.gz YQYWGFGKCQCADS-SFHVURJKSA-N 2 2 339.487 3.334 50 0 EGAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](Nc3nc(N)cc[nH+]3)C2)cc1 ZINC000072423021 216212299 /nfs/dbraw/zinc/21/22/99/216212299.db2.gz YQYWGFGKCQCADS-SFHVURJKSA-N 2 2 339.487 3.334 50 0 EGAALP CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1Cl ZINC000072447590 216237879 /nfs/dbraw/zinc/23/78/79/216237879.db2.gz KONJPKPKQXCPJX-GOSISDBHSA-N 2 2 340.895 3.017 50 0 EGAALP CCCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1Cl ZINC000072447590 216237883 /nfs/dbraw/zinc/23/78/83/216237883.db2.gz KONJPKPKQXCPJX-GOSISDBHSA-N 2 2 340.895 3.017 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072473647 216250587 /nfs/dbraw/zinc/25/05/87/216250587.db2.gz DKKNWAPLWCXQJF-SFHVURJKSA-N 2 2 345.535 3.171 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072473647 216250589 /nfs/dbraw/zinc/25/05/89/216250589.db2.gz DKKNWAPLWCXQJF-SFHVURJKSA-N 2 2 345.535 3.171 50 0 EGAALP C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000216246171 241178971 /nfs/dbraw/zinc/17/89/71/241178971.db2.gz DVYNXEHBTIQPPZ-SFHVURJKSA-N 2 2 338.517 3.203 50 0 EGAALP C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000216246171 241178975 /nfs/dbraw/zinc/17/89/75/241178975.db2.gz DVYNXEHBTIQPPZ-SFHVURJKSA-N 2 2 338.517 3.203 50 0 EGAALP OC[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1C[NH+]1CCCCC1 ZINC000091595650 218029328 /nfs/dbraw/zinc/02/93/28/218029328.db2.gz QDEKYDGMDHMMNT-HZPDHXFCSA-N 2 2 340.870 3.005 50 0 EGAALP OC[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1C[NH+]1CCCCC1 ZINC000091595650 218029329 /nfs/dbraw/zinc/02/93/29/218029329.db2.gz QDEKYDGMDHMMNT-HZPDHXFCSA-N 2 2 340.870 3.005 50 0 EGAALP C[NH+](C)[C@@H](C(=O)NC(C)(C)C[NH+]1CCCCCC1)c1ccccc1F ZINC000092045950 289272361 /nfs/dbraw/zinc/27/23/61/289272361.db2.gz LIXBUTOVJQVEPQ-GOSISDBHSA-N 2 2 349.494 3.199 50 0 EGAALP c1coc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000000207675 452537378 /nfs/dbraw/zinc/53/73/78/452537378.db2.gz ZNGMBRXEPMMKLH-UHFFFAOYSA-N 2 2 325.456 3.066 50 0 EGAALP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071102 453554253 /nfs/dbraw/zinc/55/42/53/453554253.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071102 453554254 /nfs/dbraw/zinc/55/42/54/453554254.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071102 453554255 /nfs/dbraw/zinc/55/42/55/453554255.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071102 453554256 /nfs/dbraw/zinc/55/42/56/453554256.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 2 2 344.478 3.244 50 0 EGAALP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC000038847049 453941832 /nfs/dbraw/zinc/94/18/32/453941832.db2.gz UMWNXPTXDOVDFE-QAPCUYQASA-N 2 2 335.455 3.305 50 0 EGAALP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC000038847049 453941835 /nfs/dbraw/zinc/94/18/35/453941835.db2.gz UMWNXPTXDOVDFE-QAPCUYQASA-N 2 2 335.455 3.305 50 0 EGAALP Cc1cc(N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)[nH+]c2ccccc12 ZINC000077470035 454109142 /nfs/dbraw/zinc/10/91/42/454109142.db2.gz ZMBLYQABHDIFDR-QGZVFWFLSA-N 2 2 339.483 3.480 50 0 EGAALP CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000095521540 454228141 /nfs/dbraw/zinc/22/81/41/454228141.db2.gz MWDDKPMJAZUJTB-SFHVURJKSA-N 2 2 346.519 3.265 50 0 EGAALP CCCc1c(-c2ccccc2)[nH+]cn1C1CC[NH+](CC(=O)OC)CC1 ZINC000065454412 454570918 /nfs/dbraw/zinc/57/09/18/454570918.db2.gz WVVRLBKUPJMIAM-UHFFFAOYSA-N 2 2 341.455 3.313 50 0 EGAALP Cc1cc(N2CCC[N@H+](Cc3noc(C4CCCC4)n3)CC2)cc[nH+]1 ZINC000252479787 455807394 /nfs/dbraw/zinc/80/73/94/455807394.db2.gz BMVPOTKQYUXCEH-UHFFFAOYSA-N 2 2 341.459 3.143 50 0 EGAALP Cc1cc(N2CCC[N@@H+](Cc3noc(C4CCCC4)n3)CC2)cc[nH+]1 ZINC000252479787 455807400 /nfs/dbraw/zinc/80/74/00/455807400.db2.gz BMVPOTKQYUXCEH-UHFFFAOYSA-N 2 2 341.459 3.143 50 0 EGAALP CCc1[nH+]ccn1C[C@@H](C)[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000823557066 1320186589 /nfs/dbraw/zinc/18/65/89/1320186589.db2.gz ARTKAAHUNUBAAR-OAHLLOKOSA-N 2 2 347.890 3.471 50 0 EGAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)Cc1ccc([C@H]2CCCCO2)o1 ZINC001704304863 1416434876 /nfs/dbraw/zinc/43/48/76/1416434876.db2.gz IYWUCKMXSBFZCW-GOSISDBHSA-N 2 2 346.475 3.117 50 0 EGAALP CCOc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C)C2)ccc1OCCn1cc[nH+]c1 ZINC001772808248 1441417468 /nfs/dbraw/zinc/41/74/68/1441417468.db2.gz KFSIFLJRXDQRSL-XLIONFOSSA-N 2 2 341.455 3.203 50 0 EGAALP CCOc1cc(C[N@H+]2C[C@H]3C[C@@]3(C)C2)ccc1OCCn1cc[nH+]c1 ZINC001772808248 1441417469 /nfs/dbraw/zinc/41/74/69/1441417469.db2.gz KFSIFLJRXDQRSL-XLIONFOSSA-N 2 2 341.455 3.203 50 0 EGAALP Cc1c[nH+]c(NCc2ccc[nH+]c2N(C)Cc2ccccc2)nc1N ZINC000067459747 215149183 /nfs/dbraw/zinc/14/91/83/215149183.db2.gz NVRZMWMDSJKRKC-UHFFFAOYSA-N 2 2 334.427 3.011 50 0 EGAALP Cc1c[nH+]c(NCc2ccc[nH+]c2N2CCCCCCC2)nc1N ZINC000067790034 215213476 /nfs/dbraw/zinc/21/34/76/215213476.db2.gz WHRXRUKWDGPOGO-UHFFFAOYSA-N 2 2 326.448 3.145 50 0 EGAALP COc1ccc(C[N@H+](C)[C@H](C)c2ccon2)cc1C[NH+]1CCCC1 ZINC000215159952 241107545 /nfs/dbraw/zinc/10/75/45/241107545.db2.gz NBTNQNGTIDJYCZ-OAHLLOKOSA-N 2 2 329.444 3.472 50 0 EGAALP COc1ccc(C[N@@H+](C)[C@H](C)c2ccon2)cc1C[NH+]1CCCC1 ZINC000215159952 241107550 /nfs/dbraw/zinc/10/75/50/241107550.db2.gz NBTNQNGTIDJYCZ-OAHLLOKOSA-N 2 2 329.444 3.472 50 0 EGAALP C[NH+](C)CC[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CCO1 ZINC000020453543 212131325 /nfs/dbraw/zinc/13/13/25/212131325.db2.gz CGCBPVBVFRXMON-IBGZPJMESA-N 2 2 332.488 3.161 50 0 EGAALP C[NH+](C)CC[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CCO1 ZINC000020453543 212131327 /nfs/dbraw/zinc/13/13/27/212131327.db2.gz CGCBPVBVFRXMON-IBGZPJMESA-N 2 2 332.488 3.161 50 0 EGAALP Cc1nc2ccccc2n1CCC[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000019774060 212064154 /nfs/dbraw/zinc/06/41/54/212064154.db2.gz DKLVNQUPQUZWRN-UHFFFAOYSA-N 2 2 337.471 3.344 50 0 EGAALP Cc1nc[nH]c1C[N@H+](C)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011936389 211272961 /nfs/dbraw/zinc/27/29/61/211272961.db2.gz JXSUOKXESLHCFY-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1nc[nH]c1C[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011936389 211272965 /nfs/dbraw/zinc/27/29/65/211272965.db2.gz JXSUOKXESLHCFY-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1nc[nH]c1C[NH+](C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011936389 211272970 /nfs/dbraw/zinc/27/29/70/211272970.db2.gz JXSUOKXESLHCFY-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Cc1nc[nH]c1C[NH+](C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011936389 211272974 /nfs/dbraw/zinc/27/29/74/211272974.db2.gz JXSUOKXESLHCFY-GOSISDBHSA-N 2 2 344.478 3.244 50 0 EGAALP Brc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000095080915 218275224 /nfs/dbraw/zinc/27/52/24/218275224.db2.gz ZRXUNGNLAIKOTP-UHFFFAOYSA-N 2 2 332.245 3.166 50 0 EGAALP Fc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095384901 218317103 /nfs/dbraw/zinc/31/71/03/218317103.db2.gz CSTWZQPFQROEBE-OAHLLOKOSA-N 2 2 337.402 3.245 50 0 EGAALP Cc1c(C)n(CC(C)C)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000006664162 452966727 /nfs/dbraw/zinc/96/67/27/452966727.db2.gz ISDCVGWRWHRXFG-UHFFFAOYSA-N 2 2 326.448 3.403 50 0 EGAALP CC[N@H+](C)C1(CNc2cc(C3CC(O)C3)[nH+]c(C)n2)CCCCC1 ZINC000219897512 456036010 /nfs/dbraw/zinc/03/60/10/456036010.db2.gz QKLZYHSHHXLOIJ-UHFFFAOYSA-N 2 2 332.492 3.090 50 0 EGAALP CC[N@@H+](C)C1(CNc2cc(C3CC(O)C3)[nH+]c(C)n2)CCCCC1 ZINC000219897512 456036022 /nfs/dbraw/zinc/03/60/22/456036022.db2.gz QKLZYHSHHXLOIJ-UHFFFAOYSA-N 2 2 332.492 3.090 50 0 EGAALP Fc1cccc(N2CCC([NH2+]CC3(Cn4cc[nH+]c4)CC3)CC2)c1 ZINC000534673154 459345550 /nfs/dbraw/zinc/34/55/50/459345550.db2.gz MARFCVPHEAOQLG-UHFFFAOYSA-N 2 2 328.435 3.061 50 0 EGAALP c1cn(-c2ccc(C[N@H+]3CCC[C@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000072138729 216026619 /nfs/dbraw/zinc/02/66/19/216026619.db2.gz XSNJNWWXKKZDAC-NRFANRHFSA-N 2 2 348.450 3.449 50 0 EGAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000072138729 216026622 /nfs/dbraw/zinc/02/66/22/216026622.db2.gz XSNJNWWXKKZDAC-NRFANRHFSA-N 2 2 348.450 3.449 50 0 EGAALP CC(C)(O)CCc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)cc1 ZINC000072448183 216237275 /nfs/dbraw/zinc/23/72/75/216237275.db2.gz UNXOCEMGJRGSOJ-UHFFFAOYSA-N 2 2 341.499 3.499 50 0 EGAALP CCCn1cc[nH+]c1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000215563443 241131127 /nfs/dbraw/zinc/13/11/27/241131127.db2.gz ACQJSFZRPAPDKD-IBGZPJMESA-N 2 2 326.488 3.247 50 0 EGAALP CCCn1cc[nH+]c1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215563443 241131131 /nfs/dbraw/zinc/13/11/31/241131131.db2.gz ACQJSFZRPAPDKD-IBGZPJMESA-N 2 2 326.488 3.247 50 0 EGAALP C[N@H+](C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455706 212132101 /nfs/dbraw/zinc/13/21/01/212132101.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 3 2 347.522 3.106 50 0 EGAALP C[N@@H+](C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455706 212132104 /nfs/dbraw/zinc/13/21/04/212132104.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 3 2 347.522 3.106 50 0 EGAALP C[NH+](C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455706 212132105 /nfs/dbraw/zinc/13/21/05/212132105.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 3 2 347.522 3.106 50 0 EGAALP C[NH+](C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455706 212132108 /nfs/dbraw/zinc/13/21/08/212132108.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 3 2 347.522 3.106 50 0 EGAALP CC[NH+](CC)CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000020112132 212103019 /nfs/dbraw/zinc/10/30/19/212103019.db2.gz IXWZZPQLSGSFEA-JFQNMGATSA-N 2 2 348.531 3.232 50 0 biogenic EGAALP c1csc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n1 ZINC000091876740 218082136 /nfs/dbraw/zinc/08/21/36/218082136.db2.gz JCYRBPBOEFQHHH-UHFFFAOYSA-N 2 2 345.497 3.224 50 0 EGAALP Fc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376888 218310215 /nfs/dbraw/zinc/31/02/15/218310215.db2.gz VAHQCWHJRZEEIP-CYBMUJFWSA-N 2 2 343.431 3.306 50 0 EGAALP O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000299760332 258077396 /nfs/dbraw/zinc/07/73/96/258077396.db2.gz QHFVEFRMDQOGSO-KRWDZBQOSA-N 2 2 338.455 3.214 50 0 EGAALP O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000299760332 258077398 /nfs/dbraw/zinc/07/73/98/258077398.db2.gz QHFVEFRMDQOGSO-KRWDZBQOSA-N 2 2 338.455 3.214 50 0 EGAALP CCC[C@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091964969 276039633 /nfs/dbraw/zinc/03/96/33/276039633.db2.gz RKOCZCCMGJVJBP-KRWDZBQOSA-N 2 2 346.519 3.093 50 0 EGAALP CCC[C@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091964969 276039636 /nfs/dbraw/zinc/03/96/36/276039636.db2.gz RKOCZCCMGJVJBP-KRWDZBQOSA-N 2 2 346.519 3.093 50 0 EGAALP CN(C)c1cc(NC(=O)C[N@H+](C)Cc2ccccc2)c2ccccc2[nH+]1 ZINC000000298832 452557364 /nfs/dbraw/zinc/55/73/64/452557364.db2.gz DUHOHLLLGJRMJH-UHFFFAOYSA-N 2 2 348.450 3.371 50 0 EGAALP CN(C)c1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c2ccccc2[nH+]1 ZINC000000298832 452557373 /nfs/dbraw/zinc/55/73/73/452557373.db2.gz DUHOHLLLGJRMJH-UHFFFAOYSA-N 2 2 348.450 3.371 50 0 EGAALP Cc1cc(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)[nH+]c2ccccc12 ZINC000077470036 454109097 /nfs/dbraw/zinc/10/90/97/454109097.db2.gz ZMBLYQABHDIFDR-KRWDZBQOSA-N 2 2 339.483 3.480 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000097200834 454422847 /nfs/dbraw/zinc/42/28/47/454422847.db2.gz QSRFGUCMOYIWRS-MRXNPFEDSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000097200834 454422856 /nfs/dbraw/zinc/42/28/56/454422856.db2.gz QSRFGUCMOYIWRS-MRXNPFEDSA-N 2 2 335.455 3.211 50 0 EGAALP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(CC(C)C)cc1 ZINC001704330833 1416445640 /nfs/dbraw/zinc/44/56/40/1416445640.db2.gz HDHHTFODQGAHFP-UHFFFAOYSA-N 2 2 342.487 3.121 50 0 EGAALP Cc1[nH]c(CN(CC[NH+](C)C)Cc2ccc([C@H]3CCCCO3)o2)c[nH+]1 ZINC001704330079 1416445803 /nfs/dbraw/zinc/44/58/03/1416445803.db2.gz WKOVGIIFAIMTIT-GOSISDBHSA-N 2 2 346.475 3.117 50 0 EGAALP Cc1[nH]cc(CN(CC[NH+](C)C)Cc2ccc([C@H]3CCCCO3)o2)[nH+]1 ZINC001704330079 1416445804 /nfs/dbraw/zinc/44/58/04/1416445804.db2.gz WKOVGIIFAIMTIT-GOSISDBHSA-N 2 2 346.475 3.117 50 0 EGAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCn1cc[nH+]c1)CCO2 ZINC000067935430 215254820 /nfs/dbraw/zinc/25/48/20/215254820.db2.gz ROKUYLLRSDIUAT-UHFFFAOYSA-N 2 2 349.434 3.459 50 0 EGAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCn1cc[nH+]c1)CCO2 ZINC000067935430 215254823 /nfs/dbraw/zinc/25/48/23/215254823.db2.gz ROKUYLLRSDIUAT-UHFFFAOYSA-N 2 2 349.434 3.459 50 0 EGAALP CCOc1cc(C)c(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1C(C)C ZINC000072436278 216231553 /nfs/dbraw/zinc/23/15/53/216231553.db2.gz IHOXWBYPHWEJRV-OAQYLSRUSA-N 2 2 348.531 3.406 50 0 EGAALP CCOc1cc(C)c(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1C(C)C ZINC000072436278 216231556 /nfs/dbraw/zinc/23/15/56/216231556.db2.gz IHOXWBYPHWEJRV-OAQYLSRUSA-N 2 2 348.531 3.406 50 0 EGAALP COCCC[N@H+](Cc1coc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000072457311 216242937 /nfs/dbraw/zinc/24/29/37/216242937.db2.gz JCDUQOHNUUGUHG-UHFFFAOYSA-N 2 2 343.471 3.274 50 0 EGAALP COCCC[N@@H+](Cc1coc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000072457311 216242939 /nfs/dbraw/zinc/24/29/39/216242939.db2.gz JCDUQOHNUUGUHG-UHFFFAOYSA-N 2 2 343.471 3.274 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072473646 216250241 /nfs/dbraw/zinc/25/02/41/216250241.db2.gz DKKNWAPLWCXQJF-GOSISDBHSA-N 2 2 345.535 3.171 50 0 EGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072473646 216250243 /nfs/dbraw/zinc/25/02/43/216250243.db2.gz DKKNWAPLWCXQJF-GOSISDBHSA-N 2 2 345.535 3.171 50 0 EGAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000091860265 218079794 /nfs/dbraw/zinc/07/97/94/218079794.db2.gz BBBGUZWNDGMFDD-LJQANCHMSA-N 2 2 327.472 3.342 50 0 EGAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000091860265 218079795 /nfs/dbraw/zinc/07/97/95/218079795.db2.gz BBBGUZWNDGMFDD-LJQANCHMSA-N 2 2 327.472 3.342 50 0 EGAALP Cc1c(C)n(-c2cccnc2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000005207180 210413475 /nfs/dbraw/zinc/41/34/75/210413475.db2.gz UUNXSUZOUNBFRA-UHFFFAOYSA-N 2 2 347.426 3.131 50 0 EGAALP CCCC[N@@H+]1CCn2nc(CNc3cc(C)[nH+]c(C(C)C)n3)cc2C1 ZINC000299772543 258084565 /nfs/dbraw/zinc/08/45/65/258084565.db2.gz AZLQCLCEXKRXBM-UHFFFAOYSA-N 2 2 342.491 3.333 50 0 EGAALP CCCC[N@H+]1CCn2nc(CNc3cc(C)[nH+]c(C(C)C)n3)cc2C1 ZINC000299772543 258084566 /nfs/dbraw/zinc/08/45/66/258084566.db2.gz AZLQCLCEXKRXBM-UHFFFAOYSA-N 2 2 342.491 3.333 50 0 EGAALP CCC[C@@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091964964 276021891 /nfs/dbraw/zinc/02/18/91/276021891.db2.gz RKOCZCCMGJVJBP-QGZVFWFLSA-N 2 2 346.519 3.093 50 0 EGAALP CCC[C@@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091964964 276021892 /nfs/dbraw/zinc/02/18/92/276021892.db2.gz RKOCZCCMGJVJBP-QGZVFWFLSA-N 2 2 346.519 3.093 50 0 EGAALP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC000000207750 452537887 /nfs/dbraw/zinc/53/78/87/452537887.db2.gz WPZPVCJGLDFIFY-INIZCTEOSA-N 2 2 332.488 3.400 50 0 EGAALP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC000000207750 452537896 /nfs/dbraw/zinc/53/78/96/452537896.db2.gz WPZPVCJGLDFIFY-INIZCTEOSA-N 2 2 332.488 3.400 50 0 EGAALP CCc1c[nH+]c(C)nc1NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082108891 453924695 /nfs/dbraw/zinc/92/46/95/453924695.db2.gz WPEFFMNCPDYICU-UHFFFAOYSA-N 2 2 342.491 3.018 50 0 EGAALP CCc1c[nH+]c(C)nc1NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082108891 453924696 /nfs/dbraw/zinc/92/46/96/453924696.db2.gz WPEFFMNCPDYICU-UHFFFAOYSA-N 2 2 342.491 3.018 50 0 EGAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000077286862 454086068 /nfs/dbraw/zinc/08/60/68/454086068.db2.gz NLRRKQBKPKCXDB-KRWDZBQOSA-N 2 2 342.405 3.128 50 0 EGAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000077286862 454086073 /nfs/dbraw/zinc/08/60/73/454086073.db2.gz NLRRKQBKPKCXDB-KRWDZBQOSA-N 2 2 342.405 3.128 50 0 EGAALP O=C(c1ccccc1)[C@H]1CCCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000077343755 454094316 /nfs/dbraw/zinc/09/43/16/454094316.db2.gz UQECGNCFJPQDOT-IBGZPJMESA-N 2 2 346.434 3.426 50 0 EGAALP O=C(c1ccccc1)[C@@H]1CCCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000077343753 454094361 /nfs/dbraw/zinc/09/43/61/454094361.db2.gz UQECGNCFJPQDOT-LJQANCHMSA-N 2 2 346.434 3.426 50 0 EGAALP COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c1C ZINC000077440347 454106393 /nfs/dbraw/zinc/10/63/93/454106393.db2.gz UKLMPUCBRCLRPL-QGZVFWFLSA-N 2 2 328.460 3.348 50 0 EGAALP COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c1C ZINC000077440347 454106395 /nfs/dbraw/zinc/10/63/95/454106395.db2.gz UKLMPUCBRCLRPL-QGZVFWFLSA-N 2 2 328.460 3.348 50 0 EGAALP CCCC[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077484984 454111133 /nfs/dbraw/zinc/11/11/33/454111133.db2.gz LDVIAMUARCTPPK-GOSISDBHSA-N 2 2 349.544 3.177 50 0 EGAALP CCCC[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077484984 454111137 /nfs/dbraw/zinc/11/11/37/454111137.db2.gz LDVIAMUARCTPPK-GOSISDBHSA-N 2 2 349.544 3.177 50 0 EGAALP COCC[NH+]1CCC(c2[nH+]ccn2Cc2cc(F)ccc2C)CC1 ZINC000071730274 454212145 /nfs/dbraw/zinc/21/21/45/454212145.db2.gz MULZAASUDFSXBW-UHFFFAOYSA-N 2 2 331.435 3.205 50 0 EGAALP C[N@H+](Cc1ccc(OCCn2cc[nH+]c2)cc1)C1CCSCC1 ZINC000215907423 456027179 /nfs/dbraw/zinc/02/71/79/456027179.db2.gz JPPSOVHJXKYYIU-UHFFFAOYSA-N 2 2 331.485 3.290 50 0 EGAALP C[N@@H+](Cc1ccc(OCCn2cc[nH+]c2)cc1)C1CCSCC1 ZINC000215907423 456027186 /nfs/dbraw/zinc/02/71/86/456027186.db2.gz JPPSOVHJXKYYIU-UHFFFAOYSA-N 2 2 331.485 3.290 50 0 EGAALP